| 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 | 39.6 | Very low | 66.4 | Low | 250 Ų | 250 | 102.5 Ų | 102.5 | 100% | 1.232 | 52% | 0.522 | S | S | * | . | 0 | 98.3 | 0 | -72.8 | 171.4 | 175.5 | 0 | 0 | 108 | |||||
| 2 | R | 41.6 | Very low | 68.2 | Low | 251 Ų | 251 | 95.9 Ų | 95.9 | 95% | 0.947 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 131 | 171.6 | -80 | -178.9 | 174.1 | 174.4 | -1.8 | 107.5 | R4 | R2-R4 PolarHBondContact O-N 2.64Š|
| 3 | S | 49.8 | Very low | 69.9 | Low | 118 Ų | 118 | 94.8 Ų | 94.8 | 83% | 0.825 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 125.2 | -179.7 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 4 | R | 57.9 | Low | 71.5 | Confident | 74 Ų | 74 | 88.4 Ų | 88.4 | 28% | 0.279 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 148.3 | 167.8 | -91.1 | -169.5 | 161.6 | 145.8 | 14.4 | 109.9 | R2 V9 D12 Q67 E69 D70 | R2-R4 PolarHBondContact O-N 2.64Å; R4-V9 HydrophobicContact CB-CG2 4.29Å; R4-D12 IonicContact CZ-OD2 3.74Å; R4-D12 IonicContact NH1-OD2 2.63Å; R4-D12 PolarHBondContact NH1-OD2 3.37Å; R4-Q67 VanDerWaalsContact NH2-OE1 3.13Å; R4-E69 IonicContact CZ-OE2 3.89Å; R4-E69 IonicContact NH2-OE2 3.57Å; R4-E69 PolarHBondContact NH2-OE2 3.1Å; R4-D70 IonicContact NH2-OD1 3.07Å |
| 5 | S | 65.5 | Low | 72.9 | Confident | 60 Ų | 60 | 85.2 Ų | 85.2 | 42% | 0.42 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 149 | 171.8 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | S7 G8 V9 | S5-S7 WeakPolarHBondContact CB-OG 3.34Å; S5-S7 PolarHBondContact O-N 3.32Å; S5-S7 VanDerWaalsContact O-N 3.15Å; S5-S7 PolarHBondContact OG-OG 2.9Å; S5-S7 VanDerWaalsContact OG-OG 3.08Å; S5-G8 PolarHBondContact O-N 3.17Å; S5-G8 PolarHBondContact OG-N 2.55Å; S5-V9 PolarHBondContact O-N 2.83Å |
| 6 | N | 70.5 | Confident | 74.1 | Confident | 152 Ų | 152 | 89.6 Ų | 89.6 | 81% | 0.813 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.5 | -30 | 176.6 | -76.9 | -17.7 | 0 | 0 | 0 | 112.3 | R10 | N6-R10 PolarHBondContact O-N 2.97Å |
| 7 | S | 73.2 | Confident | 75.1 | Confident | 46 Ų | 46 | 85 Ų | 85 | 32% | 0.322 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 173.8 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | S5 V9 R10 L11 | S5-S7 WeakPolarHBondContact CB-OG 3.34Å; S5-S7 PolarHBondContact O-N 3.32Å; S5-S7 VanDerWaalsContact O-N 3.15Å; S5-S7 PolarHBondContact OG-OG 2.9Å; S5-S7 VanDerWaalsContact OG-OG 3.08Å; S7-V9 PolarHBondContact O-N 3.19Å; S7-R10 PolarHBondContact O-N 2.85Å; S7-L11 PolarHBondContact O-N 3.46Å |
| 8 | G | 76.9 | Confident | 76.2 | Confident | 9 Ų | 9 | 80.3 Ų | 80.3 | 9% | 0.093 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S5 R10 L11 D12 | S5-G8 PolarHBondContact O-N 3.17Å; S5-G8 PolarHBondContact OG-N 2.55Å; G8-R10 VanDerWaalsContact C-N 3.29Å; G8-R10 PolarHBondContact O-N 2.99Å; G8-L11 PolarHBondContact O-N 3.15Å; G8-D12 PolarHBondContact O-N 3.21Å |
| 9 | V | 81.3 | Confident | 77 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 46% | 0.461 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 176 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | R4 S5 S7 Y13 | R4-V9 HydrophobicContact CB-CG2 4.29Å; S5-V9 PolarHBondContact O-N 2.83Å; S7-V9 PolarHBondContact O-N 3.19Å; V9-Y13 PolarHBondContact O-N 3.44Å |
| 10 | R | 87.4 | Confident | 77.7 | Confident | 90 Ų | 90 | 83.5 Ų | 83.5 | 34% | 0.34 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.2 | -38.4 | 178.7 | -169.4 | 63.2 | 173.3 | 175.4 | -1.7 | 112.4 | N6 S7 G8 Y13 Y14 E415 F417 | N6-R10 PolarHBondContact O-N 2.97Å; S7-R10 PolarHBondContact O-N 2.85Å; G8-R10 VanDerWaalsContact C-N 3.29Å; G8-R10 PolarHBondContact O-N 2.99Å; R10-Y13 VanDerWaalsContact O-CB 3.31Å; R10-Y13 WeakPolarHBondContact O-CB 3.13Å; R10-Y13 PolarHBondContact O-N 3.02Å; R10-Y14 HydrophobicContact CG-CE2 4.13Å; R10-Y14 VanDerWaalsContact O-CD2 3.29Å; R10-Y14 WeakPolarHBondContact O-CD2 3.33Å; R10-Y14 PolarHBondContact O-N 3.26Å; R10-E415 VanDerWaalsContact CG-OE2 3.26Å; R10-E415 WeakPolarHBondContact CG-OE2 3.49Å; R10-E415 IonicContact CZ-OE1 2.7Å; R10-E415 IonicContact CZ-OE2 3.21Å; R10-E415 IonicContact NE-OE1 3.64Å; R10-E415 PolarHBondContact NE-OE1 3.49Å; R10-E415 IonicContact NE-OE2 3.94Å; R10-E415 PolarHBondContact NE-OE2 3.46Å; R10-E415 IonicContact NH2-OE1 2.84Å; R10-E415 PolarHBondContact NH2-OE1 3.11Å; R10-E415 IonicContact NH2-OE2 3.52Å; R10-F417 HydrophobicContact CB-CE2 4.3Å; R10-F417 HydrophobicContact CB-CZ 3.83Å; R10-F417 HydrophobicContact CG-CE2 3.75Å; R10-F417 HydrophobicContact CG-CZ 3.78Å |
| 11 | L | 87.3 | Confident | 78.3 | Confident | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 171.5 | -76.7 | 169.6 | 0 | 0 | 0 | 112.1 | S7 G8 Y13 Y14 Q15 L57 A60 Y61 I64 L412 F417 | S7-L11 PolarHBondContact O-N 3.46Å; G8-L11 PolarHBondContact O-N 3.15Å; L11-Y13 PolarHBondContact O-N 3.48Å; L11-Y14 PolarHBondContact O-N 2.77Å; L11-Q15 PolarHBondContact O-N 3.49Å; L11-L57 HydrophobicContact CD2-CD1 4.15Å; L11-A60 HydrophobicContact CD2-CB 3.87Å; L11-Y61 HydrophobicContact CB-CE1 4.21Å; L11-Y61 PolarHBondContact O-OH 3.39Å; L11-I64 HydrophobicContact CD1-CB 4.18Å; L11-I64 HydrophobicContact CD1-CD1 3.75Å; L11-I64 HydrophobicContact CD1-CG2 4.07Å; L11-L412 HydrophobicContact CD2-CD2 4.35Å; L11-F417 HydrophobicContact CD1-CD1 4.14Å; L11-F417 HydrophobicContact CD1-CE1 4.26Å; L11-F417 HydrophobicContact CD2-CB 4.29Å; L11-F417 HydrophobicContact CD2-CD1 3.85Å; L11-F417 HydrophobicContact CD2-CD2 4.37Å; L11-F417 HydrophobicContact CD2-CE1 4.28Å; L11-F417 HydrophobicContact CD2-CG 3.91Å; L11-F417 HydrophobicContact CG-CD1 3.89Å; L11-F417 HydrophobicContact CG-CE1 3.88Å; L11-F417 HydrophobicContact CG-CG 4.41Å; L11-F417 HydrophobicContact CG-CZ 4.39Å |
| 12 | D | 87 | Confident | 80.8 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.1 | -22.5 | 175.1 | -74.5 | -13.7 | 0 | 0 | 0 | 112.5 | R4 G8 R16 Y61 K73 | R4-D12 IonicContact CZ-OD2 3.74Å; R4-D12 IonicContact NH1-OD2 2.63Å; R4-D12 PolarHBondContact NH1-OD2 3.37Å; G8-D12 PolarHBondContact O-N 3.21Å; D12-R16 VanDerWaalsContact O-CG 3.31Å; D12-R16 WeakPolarHBondContact O-CG 3.34Å; D12-R16 PolarHBondContact O-N 3.13Å; D12-R16 PolarHBondContact O-NE 3.3Å; D12-Y61 PolarHBondContact N-OH 3.44Å; D12-Y61 PolarHBondContact OD1-OH 3.28Å; D12-K73 IonicContact OD1-NZ 3.43Å; D12-K73 PolarHBondContact OD1-NZ 3.04Å; D12-K73 IonicContact OD2-NZ 2.71Å |
| 13 | Y | 90.8 | Very high | 83.2 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.7 | -47.4 | 169 | 165.6 | -96.9 | 0 | 0 | 0 | 111.7 | V9 R10 L11 Q15 R16 I17 | V9-Y13 PolarHBondContact O-N 3.44Å; R10-Y13 VanDerWaalsContact O-CB 3.31Å; R10-Y13 WeakPolarHBondContact O-CB 3.13Å; R10-Y13 PolarHBondContact O-N 3.02Å; L11-Y13 PolarHBondContact O-N 3.48Å; Y13-Q15 VanDerWaalsContact C-N 3.34Å; Y13-Q15 PolarHBondContact O-N 3.38Å; Y13-R16 PolarHBondContact O-N 3.32Å; Y13-I17 HydrophobicContact CD1-CD1 3.99Å; Y13-I17 HydrophobicContact CD2-CD1 4.31Å; Y13-I17 HydrophobicContact CE1-CD1 3.36Å; Y13-I17 HydrophobicContact CE2-CD1 3.73Å; Y13-I17 HydrophobicContact CE2-CG1 4.4Å; Y13-I17 HydrophobicContact CG-CD1 4.44Å; Y13-I17 WeakPolarHBondContact O-CG1 3.33Å; Y13-I17 PolarHBondContact O-N 2.93Å; Y13-I17 WeakPolarHBondContact OH-CD1 3.24Å |
| 14 | Y | 92.4 | Very high | 85.2 | Confident | 6 Ų | 6 | 55 Ų | 55 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 175.6 | -70.9 | -67.9 | 0 | 0 | 0 | 112.4 | R10 L11 R16 I17 V18 I408 R411 L412 E415 F417 | R10-Y14 HydrophobicContact CG-CE2 4.13Å; R10-Y14 VanDerWaalsContact O-CD2 3.29Å; R10-Y14 WeakPolarHBondContact O-CD2 3.33Å; R10-Y14 PolarHBondContact O-N 3.26Å; L11-Y14 PolarHBondContact O-N 2.77Å; Y14-R16 PolarHBondContact O-N 3.37Å; Y14-I17 PolarHBondContact O-N 3.37Å; Y14-V18 WeakPolarHBondContact O-CB 3.44Å; Y14-V18 WeakPolarHBondContact O-CG2 3.49Å; Y14-V18 PolarHBondContact O-N 2.99Å; Y14-I408 HydrophobicContact CD1-CG2 4.22Å; Y14-R411 HydrophobicContact CE1-CB 4.03Å; Y14-R411 WeakPolarHBondContact OH-CB 3.43Å; Y14-L412 HydrophobicContact CD2-CD2 3.74Å; Y14-L412 HydrophobicContact CE2-CD2 4.08Å; Y14-L412 HydrophobicContact CG-CD2 3.98Å; Y14-E415 PolarHBondContact OH-OE1 3.16Å; Y14-E415 PolarHBondContact OH-OE2 2.88Å; Y14-F417 HydrophobicContact CE2-CD2 4.43Å; Y14-F417 HydrophobicContact CE2-CE2 4.22Å |
| 15 | Q | 92.1 | Very high | 86.7 | Confident | 40 Ų | 40 | 54.6 Ų | 54.6 | 19% | 0.187 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 173.2 | -169 | -148.8 | -6.7 | 0 | 0 | 111.7 | L11 Y13 I17 V18 H19 L57 Y61 | L11-Q15 PolarHBondContact O-N 3.49Å; Y13-Q15 VanDerWaalsContact C-N 3.34Å; Y13-Q15 PolarHBondContact O-N 3.38Å; Q15-I17 VanDerWaalsContact C-N 3.31Å; Q15-I17 PolarHBondContact O-N 3.28Å; Q15-V18 PolarHBondContact O-N 3.3Å; Q15-H19 VanDerWaalsContact O-CB 3.25Å; Q15-H19 WeakPolarHBondContact O-CB 3.43Å; Q15-H19 PolarHBondContact O-N 3.3Å; Q15-L57 HydrophobicContact CB-CD2 4.13Å; Q15-Y61 HydrophobicContact CB-CE2 4.17Å; Q15-Y61 WeakPolarHBondContact CB-OH 3.13Å; Q15-Y61 HydrophobicContact CG-CE2 4.38Å |
| 16 | R | 91.7 | Very high | 88.1 | Confident | 156 Ų | 156 | 53.1 Ų | 53.1 | 59% | 0.589 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.8 | -39.9 | 176.6 | -78.9 | 179.6 | -73.9 | 175.4 | -3.1 | 112.3 | D12 Y13 Y14 R20 | D12-R16 VanDerWaalsContact O-CG 3.31Å; D12-R16 WeakPolarHBondContact O-CG 3.34Å; D12-R16 PolarHBondContact O-N 3.13Å; D12-R16 PolarHBondContact O-NE 3.3Å; Y13-R16 PolarHBondContact O-N 3.32Å; Y14-R16 PolarHBondContact O-N 3.37Å; R16-R20 VanDerWaalsContact O-CB 3.23Å; R16-R20 WeakPolarHBondContact O-CB 3.43Å; R16-R20 PolarHBondContact O-N 2.64Å |
| 17 | I | 92.3 | Very high | 89.1 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -52.2 | 176.4 | -70.7 | 175.9 | 0 | 0 | 0 | 111 | Y13 Y14 Q15 H19 R20 L21 I408 | Y13-I17 HydrophobicContact CD1-CD1 3.99Å; Y13-I17 HydrophobicContact CD2-CD1 4.31Å; Y13-I17 HydrophobicContact CE1-CD1 3.36Å; Y13-I17 HydrophobicContact CE2-CD1 3.73Å; Y13-I17 HydrophobicContact CE2-CG1 4.4Å; Y13-I17 HydrophobicContact CG-CD1 4.44Å; Y13-I17 WeakPolarHBondContact O-CG1 3.33Å; Y13-I17 PolarHBondContact O-N 2.93Å; Y13-I17 WeakPolarHBondContact OH-CD1 3.24Å; Y14-I17 PolarHBondContact O-N 3.37Å; Q15-I17 VanDerWaalsContact C-N 3.31Å; Q15-I17 PolarHBondContact O-N 3.28Å; I17-H19 VanDerWaalsContact C-N 3.3Å; I17-H19 PolarHBondContact O-N 3.03Å; I17-R20 PolarHBondContact O-N 3.3Å; I17-L21 HydrophobicContact CG2-CD1 3.75Å; I17-L21 HydrophobicContact CG2-CG 4.27Å; I17-L21 WeakPolarHBondContact O-CB 3.19Å; I17-L21 WeakPolarHBondContact O-CG 3.39Å; I17-L21 PolarHBondContact O-N 2.97Å; I17-I408 HydrophobicContact CG2-CD1 3.95Å |
| 18 | V | 93.6 | Very high | 90 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | -179.4 | 168.8 | 0 | 0 | 0 | 0 | 110.4 | Y14 Q15 I22 L23 V54 L57 I408 | Y14-V18 WeakPolarHBondContact O-CB 3.44Å; Y14-V18 WeakPolarHBondContact O-CG2 3.49Å; Y14-V18 PolarHBondContact O-N 2.99Å; Q15-V18 PolarHBondContact O-N 3.3Å; V18-I22 WeakPolarHBondContact O-CA 3.33Å; V18-I22 VanDerWaalsContact O-CB 3.3Å; V18-I22 WeakPolarHBondContact O-CB 3.17Å; V18-I22 PolarHBondContact O-N 3.1Å; V18-L23 HydrophobicContact CG1-CD1 4.12Å; V18-L23 HydrophobicContact CG1-CG 4.16Å; V18-L23 PolarHBondContact O-N 3.38Å; V18-V54 HydrophobicContact CG1-CG2 3.74Å; V18-L57 HydrophobicContact CB-CD2 4.11Å; V18-L57 HydrophobicContact CG1-CD2 4.46Å; V18-L57 HydrophobicContact CG2-CD2 3.99Å; V18-I408 HydrophobicContact CG2-CD1 3.98Å; V18-I408 HydrophobicContact CG2-CG2 4.25Å |
| 19 | H | 92.9 | Very high | 90.6 | Very high | 98 Ų | 98 | 56 Ų | 56 | 45% | 0.454 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 177.6 | -173.1 | -76.3 | 0 | 0 | 0 | 111.7 | Q15 I17 A24 | Q15-H19 VanDerWaalsContact O-CB 3.25Å; Q15-H19 WeakPolarHBondContact O-CB 3.43Å; Q15-H19 PolarHBondContact O-N 3.3Å; I17-H19 VanDerWaalsContact C-N 3.3Å; I17-H19 PolarHBondContact O-N 3.03Å; H19-A24 VanDerWaalsContact O-CB 3.31Å; H19-A24 WeakPolarHBondContact O-CB 3.43Å; H19-A24 PolarHBondContact O-N 3.39Å |
| 20 | R | 91.1 | Very high | 91.1 | Very high | 125 Ų | 125 | 53.2 Ų | 53.2 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73 | -38.7 | -175.9 | -170.8 | 173.6 | -176.8 | 174.7 | -0 | 113.5 | R16 I17 D364 | R16-R20 VanDerWaalsContact O-CB 3.23Å; R16-R20 WeakPolarHBondContact O-CB 3.43Å; R16-R20 PolarHBondContact O-N 2.64Å; I17-R20 PolarHBondContact O-N 3.3Å; R20-D364 IonicContact CZ-OD1 2.76Å; R20-D364 IonicContact CZ-OD2 2.76Å; R20-D364 IonicContact NH1-OD1 2.82Å; R20-D364 PolarHBondContact NH1-OD1 2.9Å; R20-D364 IonicContact NH1-OD2 3.51Å; R20-D364 PolarHBondContact NH1-OD2 3.32Å; R20-D364 IonicContact NH2-OD1 3.3Å; R20-D364 PolarHBondContact NH2-OD1 3.34Å; R20-D364 IonicContact NH2-OD2 2.64Å; R20-D364 PolarHBondContact NH2-OD2 3.48Å |
| 21 | L | 90.1 | Very high | 91.4 | Very high | 20 Ų | 20 | 49 Ų | 49 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -93.9 | -28.5 | -174.6 | -61.9 | -173.9 | 0 | 0 | 0 | 113.8 | I17 H25 I366 L368 L401 Q404 | I17-L21 HydrophobicContact CG2-CD1 3.75Å; I17-L21 HydrophobicContact CG2-CG 4.27Å; I17-L21 WeakPolarHBondContact O-CB 3.19Å; I17-L21 WeakPolarHBondContact O-CG 3.39Å; I17-L21 PolarHBondContact O-N 2.97Å; L21-H25 PolarHBondContact O-CD2 2.82Å; L21-I366 HydrophobicContact CD1-CG2 4.05Å; L21-L368 HydrophobicContact CD1-CD2 3.95Å; L21-L368 HydrophobicContact CD2-CD2 3.97Å; L21-L401 WeakPolarHBondContact O-CD2 3.48Å; L21-Q404 HydrophobicContact CD1-CG 4.03Å |
| 22 | I | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -68.4 | -173 | -61.8 | 172.2 | 0 | 0 | 0 | 109.9 | V18 A24 H25 F33 C50 A53 V54 L401 I408 | V18-I22 WeakPolarHBondContact O-CA 3.33Å; V18-I22 VanDerWaalsContact O-CB 3.3Å; V18-I22 WeakPolarHBondContact O-CB 3.17Å; V18-I22 PolarHBondContact O-N 3.1Å; I22-A24 VanDerWaalsContact C-N 3.28Å; I22-A24 PolarHBondContact O-N 3.49Å; I22-H25 PolarHBondContact O-N 2.89Å; I22-F33 HydrophobicContact CG2-CE1 3.81Å; I22-F33 HydrophobicContact CG2-CE2 4.07Å; I22-F33 HydrophobicContact CG2-CZ 3.5Å; I22-F33 WeakPolarHBondContact O-CE1 3.3Å; I22-C50 WeakPolarHBondContact CG2-SG 3.37Å; I22-A53 HydrophobicContact CD1-CB 4.1Å; I22-V54 HydrophobicContact CG2-CG2 4.03Å; I22-L401 HydrophobicContact CG1-CD2 4.34Å; I22-I408 HydrophobicContact CD1-CD1 4.38Å |
| 23 | L | 92.6 | Very high | 92.1 | Very high | 22 Ų | 22 | 48 Ų | 48 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -65.5 | -28.1 | -168.7 | -61.3 | 171.4 | 0 | 0 | 0 | 113.8 | V18 H25 Q26 F33 V54 L77 | V18-L23 HydrophobicContact CG1-CD1 4.12Å; V18-L23 HydrophobicContact CG1-CG 4.16Å; V18-L23 PolarHBondContact O-N 3.38Å; L23-H25 PolarHBondContact O-N 3.5Å; L23-H25 VanDerWaalsContact O-N 3.08Å; L23-Q26 WeakPolarHBondContact O-CB 3.41Å; L23-Q26 PolarHBondContact O-N 3.05Å; L23-F33 HydrophobicContact CD2-CZ 4.48Å; L23-V54 HydrophobicContact CD2-CG1 4.1Å; L23-V54 HydrophobicContact CD2-CG2 3.89Å; L23-V54 HydrophobicContact CG-CG2 4.37Å; L23-L77 HydrophobicContact CD1-CD2 3.79Å |
| 24 | A | 90.6 | Very high | 92 | Very high | 62 Ų | 62 | 45 Ų | 45 | 51% | 0.512 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -58.4 | -20.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H19 I22 | H19-A24 VanDerWaalsContact O-CB 3.31Å; H19-A24 WeakPolarHBondContact O-CB 3.43Å; H19-A24 PolarHBondContact O-N 3.39Å; I22-A24 VanDerWaalsContact C-N 3.28Å; I22-A24 PolarHBondContact O-N 3.49Å |
| 25 | H | 89.9 | Confident | 91.3 | Very high | 67 Ų | 67 | 45.8 Ų | 45.8 | 31% | 0.31 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -102.1 | 2.3 | 179.1 | -57.9 | -74 | 0 | 0 | 0 | 113.2 | L21 I22 L23 E27 F33 P34 N37 | L21-H25 PolarHBondContact O-CD2 2.82Å; I22-H25 PolarHBondContact O-N 2.89Å; L23-H25 PolarHBondContact O-N 3.5Å; L23-H25 VanDerWaalsContact O-N 3.08Å; H25-E27 PolarHBondContact O-N 3.45Å; H25-F33 HydrophobicContact CB-CD1 4.41Å; H25-P34 WeakPolarHBondContact O-CD 3.45Å; H25-N37 PolarHBondContact ND1-OD1 3.2Å |
| 26 | Q | 93.8 | Very high | 90.6 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | trans | -72.3 | 126.4 | -179.6 | -161 | 175.9 | 17.1 | 0 | 0 | 110.7 | L23 P28 G31 F33 S80 | L23-Q26 WeakPolarHBondContact O-CB 3.41Å; L23-Q26 PolarHBondContact O-N 3.05Å; Q26-P28 WeakPolarHBondContact O-CD 3.28Å; Q26-G31 VanDerWaalsContact CG-O 3.28Å; Q26-G31 WeakPolarHBondContact CG-O 3.39Å; Q26-G31 PolarHBondContact NE2-O 3.13Å; Q26-F33 HydrophobicContact CB-CD1 4.1Å; Q26-F33 HydrophobicContact CB-CE1 3.43Å; Q26-F33 VanDerWaalsContact CB-CE1 3.43Å; Q26-F33 HydrophobicContact CB-CZ 4Å; Q26-F33 HydrophobicContact CG-CD1 4.37Å; Q26-F33 HydrophobicContact CG-CE1 3.8Å; Q26-F33 HydrophobicContact CG-CZ 3.96Å; Q26-S80 PolarHBondContact NE2-O 3.32Å | ||
| 27 | E | 93.4 | Very high | 89.6 | Confident | 47 Ų | 47 | 45.7 Ų | 45.7 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | trans | -66 | 128 | 178.5 | -76.7 | -72.3 | 179.6 | 0 | 0 | 111.7 | H25 V29 T30 G31 L32 S118 | H25-E27 PolarHBondContact O-N 3.45Å; E27-V29 VanDerWaalsContact C-N 3.25Å; E27-V29 PolarHBondContact O-N 3Å; E27-T30 WeakPolarHBondContact CB-OG1 3.28Å; E27-G31 VanDerWaalsContact O-CA 3.24Å; E27-G31 WeakPolarHBondContact O-CA 3.43Å; E27-G31 PolarHBondContact O-N 3.42Å; E27-L32 WeakPolarHBondContact CB-O 3.41Å; E27-L32 WeakPolarHBondContact CG-O 3.33Å; E27-L32 PolarHBondContact N-O 2.98Å; E27-S118 WeakPolarHBondContact CG-O 3.23Å; E27-S118 PolarHBondContact OE1-OG 3.2Å | ||
| 28 | P | 90.3 | Very high | 88.7 | Confident | 96 Ų | 96 | 52 Ų | 52 | 62% | 0.623 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.7 | -174.6 | -24.7 | 34.1 | 0 | 0 | 0 | 115.2 | Q26 K83 | Q26-P28 WeakPolarHBondContact O-CD 3.28Å; P28-K83 WeakPolarHBondContact O-CE 3.32Å; P28-K83 PolarHBondContact O-NZ 3.3Å |
| 29 | V | 90.3 | Very high | 88.1 | Confident | 125 Ų | 125 | 54.5 Ų | 54.5 | 76% | 0.758 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -58.7 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | E27 | E27-V29 VanDerWaalsContact C-N 3.25Å; E27-V29 PolarHBondContact O-N 3Å |
| 30 | T | 92.8 | Very high | 87.7 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -24.2 | -173.8 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | E27 L32 G87 S118 K119 | E27-T30 WeakPolarHBondContact CB-OG1 3.28Å; T30-L32 PolarHBondContact O-N 3.16Å; T30-L32 PolarHBondContact OG1-N 3.28Å; T30-L32 VanDerWaalsContact OG1-N 3.17Å; T30-G87 VanDerWaalsContact O-CA 3.25Å; T30-G87 WeakPolarHBondContact O-CA 3.33Å; T30-S118 WeakPolarHBondContact CB-O 3.5Å; T30-S118 WeakPolarHBondContact CG2-O 3.34Å; T30-S118 PolarHBondContact OG1-O 2.71Å; T30-K119 WeakPolarHBondContact CG2-O 3.09Å |
| 31 | G | 93.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | 76.5 | 3.5 | -170 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q26 E27 L84 | Q26-G31 VanDerWaalsContact CG-O 3.28Å; Q26-G31 WeakPolarHBondContact CG-O 3.39Å; Q26-G31 PolarHBondContact NE2-O 3.13Å; E27-G31 VanDerWaalsContact O-CA 3.24Å; E27-G31 WeakPolarHBondContact O-CA 3.43Å; E27-G31 PolarHBondContact O-N 3.42Å; G31-L84 WeakPolarHBondContact O-CA 3.36Å; G31-L84 WeakPolarHBondContact O-CB 3.4Å | ||
| 32 | L | 94.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 149.8 | -178.3 | -60.5 | 178.2 | 0 | 0 | 0 | 111.8 | E27 T30 A42 L88 | E27-L32 WeakPolarHBondContact CB-O 3.41Å; E27-L32 WeakPolarHBondContact CG-O 3.33Å; E27-L32 PolarHBondContact N-O 2.98Å; T30-L32 PolarHBondContact O-N 3.16Å; T30-L32 PolarHBondContact OG1-N 3.28Å; T30-L32 VanDerWaalsContact OG1-N 3.17Å; L32-A42 HydrophobicContact CB-CB 3.97Å; L32-A42 HydrophobicContact CD1-CB 4.11Å; L32-L88 HydrophobicContact CD2-CD2 3.54Å; L32-L88 HydrophobicContact CD2-CG 3.71Å |
| 33 | F | 92.7 | Very high | 87.9 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 127.5 | 171.4 | -64.8 | -66.8 | 0 | 0 | 0 | 110.7 | I22 L23 H25 Q26 A42 N47 C50 I51 L84 | I22-F33 HydrophobicContact CG2-CE1 3.81Å; I22-F33 HydrophobicContact CG2-CE2 4.07Å; I22-F33 HydrophobicContact CG2-CZ 3.5Å; I22-F33 WeakPolarHBondContact O-CE1 3.3Å; L23-F33 HydrophobicContact CD2-CZ 4.48Å; H25-F33 HydrophobicContact CB-CD1 4.41Å; Q26-F33 HydrophobicContact CB-CD1 4.1Å; Q26-F33 HydrophobicContact CB-CE1 3.43Å; Q26-F33 VanDerWaalsContact CB-CE1 3.43Å; Q26-F33 HydrophobicContact CB-CZ 4Å; Q26-F33 HydrophobicContact CG-CD1 4.37Å; Q26-F33 HydrophobicContact CG-CE1 3.8Å; Q26-F33 HydrophobicContact CG-CZ 3.96Å; F33-A42 WeakPolarHBondContact O-CB 3.45Å; F33-N47 PolarHBondContact N-OD1 3.43Å; F33-N47 PolarHBondContact O-ND2 3.47Å; F33-N47 VanDerWaalsContact O-ND2 3.13Å; F33-C50 HydrophobicContact CD2-CB 4.19Å; F33-I51 HydrophobicContact CE2-CD1 4.06Å; F33-I51 HydrophobicContact CZ-CD1 4.41Å; F33-L84 HydrophobicContact CD2-CD1 3.2Å; F33-L84 HydrophobicContact CE2-CD1 3.2Å; F33-L84 HydrophobicContact CG-CD1 4.32Å; F33-L84 HydrophobicContact CZ-CD1 4.31Å |
| 34 | P | 89.4 | Confident | 88.1 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 153.1 | 170.3 | 32.4 | -33.8 | 0 | 0 | 0 | 110.9 | H25 S36 N39 H41 | H25-P34 WeakPolarHBondContact O-CD 3.45Å; P34-S36 VanDerWaalsContact C-N 3.29Å; P34-S36 PolarHBondContact O-N 2.9Å; P34-N39 WeakPolarHBondContact CB-O 3.44Å; P34-H41 CarbonylContact C-O 3.5Å |
| 35 | A | 77.9 | Confident | 88.3 | Confident | 24 Ų | 24 | 45 Ų | 45 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -68.6 | -27.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N39 H41 W43 | A35-N39 PolarHBondContact N-O 3.32Å; A35-H41 WeakPolarHBondContact CB-O 3.44Å; A35-H41 PolarHBondContact N-O 2.91Å; A35-W43 HydrophobicContact CB-CE3 3.95Å; A35-W43 HydrophobicContact CB-CZ3 3.5Å; A35-W43 VanDerWaalsContact CB-CZ3 3.5Å |
| 36 | S | 77.1 | Confident | 88.4 | Confident | 52 Ų | 52 | 43.1 Ų | 43.1 | 36% | 0.364 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -158.3 | 172.3 | 170.7 | 76.5 | 0 | 0 | 0 | 0 | 111.4 | P34 V38 N39 | P34-S36 VanDerWaalsContact C-N 3.29Å; P34-S36 PolarHBondContact O-N 2.9Å; S36-V38 PolarHBondContact O-N 3.08Å; S36-V38 VanDerWaalsContact O-N 3.13Å; S36-V38 PolarHBondContact OG-N 3.44Å; S36-N39 PolarHBondContact N-O 3.24Å; S36-N39 CarbonylContact O-C 3.49Å; S36-N39 PolarHBondContact O-N 2.88Å; S36-N39 WeakPolarHBondContact OG-CB 3.25Å; S36-N39 PolarHBondContact OG-N 3.47Å |
| 37 | N | 71.1 | Confident | 88.5 | Confident | 141 Ų | 141 | 41.9 Ų | 41.9 | 75% | 0.754 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -63.2 | -17.6 | 175.7 | -66.1 | -17.3 | 0 | 0 | 0 | 113.6 | H25 | H25-N37 PolarHBondContact ND1-OD1 3.2Š|
| 38 | V | 72.9 | Confident | 88.7 | Confident | 145 Ų | 145 | 39.7 Ų | 39.7 | 88% | 0.879 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -102.7 | -32.5 | 179.5 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | S36 | S36-V38 PolarHBondContact O-N 3.08Å; S36-V38 VanDerWaalsContact O-N 3.13Å; S36-V38 PolarHBondContact OG-N 3.44Å |
| 39 | N | 80.4 | Confident | 88.9 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 28% | 0.278 | 20% | 0.204 | S | C | . | . | trans | -104 | 106 | -178 | -174.6 | -13 | 0 | 0 | 0 | 110.7 | P34 A35 S36 H41 | P34-N39 WeakPolarHBondContact CB-O 3.44Å; A35-N39 PolarHBondContact N-O 3.32Å; S36-N39 PolarHBondContact N-O 3.24Å; S36-N39 CarbonylContact O-C 3.49Å; S36-N39 PolarHBondContact O-N 2.88Å; S36-N39 WeakPolarHBondContact OG-CB 3.25Å; S36-N39 PolarHBondContact OG-N 3.47Å; N39-H41 PolarHBondContact O-N 3.02Å; N39-H41 VanDerWaalsContact O-N 3.16Å; N39-H41 WeakPolarHBondContact OD1-CB 3.29Å; N39-H41 PolarHBondContact OD1-CD2 3.31Å; N39-H41 VanDerWaalsContact OD1-CD2 3.26Å; N39-H41 PolarHBondContact OD1-N 3.22Å; N39-H41 PolarHBondContact OD1-ND1 3.36Å | ||
| 40 | S | 86 | Confident | 89.2 | Confident | 38 Ų | 38 | 29.3 Ų | 29.3 | 27% | 0.266 | 17% | 0.169 | S | C | . | . | trans | -79.5 | 20.5 | 177.4 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | S118 | S40-S118 WeakPolarHBondContact O-CB 3.45Å; S40-S118 PolarHBondContact O-N 3.09Å; S40-S118 PolarHBondContact O-OG 3.2Å | ||
| 41 | H | 91.1 | Very high | 89.3 | Confident | 49 Ų | 49 | 28.4 Ų | 28.4 | 23% | 0.227 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 136.3 | 174.5 | -61.9 | 174.8 | 0 | 0 | 0 | 110.2 | P34 A35 N39 W43 Y116 | P34-H41 CarbonylContact C-O 3.5Å; A35-H41 WeakPolarHBondContact CB-O 3.44Å; A35-H41 PolarHBondContact N-O 2.91Å; N39-H41 PolarHBondContact O-N 3.02Å; N39-H41 VanDerWaalsContact O-N 3.16Å; N39-H41 WeakPolarHBondContact OD1-CB 3.29Å; N39-H41 PolarHBondContact OD1-CD2 3.31Å; N39-H41 VanDerWaalsContact OD1-CD2 3.26Å; N39-H41 PolarHBondContact OD1-N 3.22Å; N39-H41 PolarHBondContact OD1-ND1 3.36Å; H41-W43 HydrophobicContact CB-CE3 4.01Å; H41-W43 HydrophobicContact CB-CH2 3.83Å; H41-W43 HydrophobicContact CB-CZ3 3.36Å; H41-Y116 CarbonylContact C-O 3.52Å; H41-Y116 WeakPolarHBondContact CA-O 3.44Å |
| 42 | A | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 108.7 | 179 | 0 | 0 | 0 | 0 | 0 | 108.9 | L32 F33 K115 Y116 | L32-A42 HydrophobicContact CB-CB 3.97Å; L32-A42 HydrophobicContact CD1-CB 4.11Å; F33-A42 WeakPolarHBondContact O-CB 3.45Å; A42-K115 WeakPolarHBondContact O-CA 3.33Å; A42-Y116 PolarHBondContact N-O 3.06Å; A42-Y116 PolarHBondContact O-N 3.22Å |
| 43 | W | 93.5 | Very high | 89.5 | Confident | 30 Ų | 30 | 28.4 Ų | 28.4 | 11% | 0.114 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 139.3 | 173.6 | -80.7 | -104.9 | 0 | 0 | 0 | 110.4 | A35 H41 R45 D46 N47 K115 W130 E185 | A35-W43 HydrophobicContact CB-CE3 3.95Å; A35-W43 HydrophobicContact CB-CZ3 3.5Å; A35-W43 VanDerWaalsContact CB-CZ3 3.5Å; H41-W43 HydrophobicContact CB-CE3 4.01Å; H41-W43 HydrophobicContact CB-CH2 3.83Å; H41-W43 HydrophobicContact CB-CZ3 3.36Å; W43-R45 VanDerWaalsContact C-N 3.34Å; W43-R45 PolarHBondContact O-N 3Å; W43-D46 HydrophobicContact CB-CB 4.14Å; W43-N47 VanDerWaalsContact O-CB 3.27Å; W43-N47 WeakPolarHBondContact O-CB 3.28Å; W43-N47 PolarHBondContact O-N 2.92Å; W43-N47 PolarHBondContact O-ND2 2.84Å; W43-K115 HydrophobicContact CD2-CB 4.01Å; W43-K115 HydrophobicContact CG-CB 4.08Å; W43-K115 HydrophobicContact CH2-CD 4.45Å; W43-K115 HydrophobicContact CZ2-CD 3.79Å; W43-W130 HydrophobicContact CZ2-CZ2 4.31Å; W43-E185 PolarHBondContact NE1-OE1 3.41Å |
| 44 | I | 95.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.4 | -52.2 | 176.6 | -62.7 | 170 | 0 | 0 | 0 | 109.8 | N47 V48 L88 M92 A114 Y116 A137 | I44-N47 PolarHBondContact O-N 3.08Å; I44-V48 HydrophobicContact CG2-CG2 4.37Å; I44-V48 VanDerWaalsContact O-CG2 3.27Å; I44-V48 WeakPolarHBondContact O-CG2 3.41Å; I44-V48 PolarHBondContact O-N 3.41Å; I44-L88 HydrophobicContact CG1-CD2 4.26Å; I44-M92 HydrophobicContact CD1-SD 4.37Å; I44-A114 WeakPolarHBondContact CG1-O 3.48Å; I44-A114 PolarHBondContact N-O 3.31Å; I44-Y116 HydrophobicContact CD1-CE2 3.82Å; I44-Y116 HydrophobicContact CG1-CD2 4.26Å; I44-Y116 HydrophobicContact CG1-CE2 3.65Å; I44-A137 HydrophobicContact CB-CB 4.22Å; I44-A137 HydrophobicContact CG2-CB 4.27Å; I44-A137 WeakPolarHBondContact CG2-O 3.47Å |
| 45 | R | 95.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 27.4 Ų | 27.4 | 3% | 0.034 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -54.7 | -177 | 178.6 | 171.7 | 53.9 | -122.9 | -9.1 | 112.9 | W43 N47 V48 Y49 D136 A137 L140 I183 E185 W402 | W43-R45 VanDerWaalsContact C-N 3.34Å; W43-R45 PolarHBondContact O-N 3Å; R45-N47 VanDerWaalsContact C-N 3.27Å; R45-N47 PolarHBondContact O-N 3.01Å; R45-V48 PolarHBondContact O-N 2.9Å; R45-Y49 HydrophobicContact CG-CD2 3.73Å; R45-Y49 HydrophobicContact CG-CE2 3.77Å; R45-Y49 WeakPolarHBondContact O-CD2 3.33Å; R45-Y49 PolarHBondContact O-N 3Å; R45-D136 IonicContact CZ-OD2 3.85Å; R45-D136 IonicContact NH1-OD1 3.65Å; R45-D136 IonicContact NH1-OD2 2.83Å; R45-D136 PolarHBondContact NH1-OD2 3.04Å; R45-A137 HydrophobicContact CB-CB 4.34Å; R45-L140 HydrophobicContact CG-CD2 4.1Å; R45-I183 VanDerWaalsContact NH1-CA 3.3Å; R45-I183 PolarHBondContact NH1-O 3.36Å; R45-I183 VanDerWaalsContact NH1-O 3.16Å; R45-I183 PolarHBondContact NH2-O 3.45Å; R45-E185 IonicContact NH2-OE1 3.78Å; R45-W402 HydrophobicContact CG-CH2 4.26Å; R45-W402 HydrophobicContact CG-CZ3 4.24Å |
| 46 | D | 92.6 | Very high | 90.9 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 14% | 0.144 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.2 | -40.3 | -179.5 | -72.9 | 31 | 0 | 0 | 0 | 111 | W43 C50 R397 | W43-D46 HydrophobicContact CB-CB 4.14Å; D46-C50 WeakPolarHBondContact O-CB 3.3Å; D46-C50 PolarHBondContact O-N 3.47Å; D46-R397 IonicContact OD2-CZ 3.77Å; D46-R397 IonicContact OD2-NH1 2.89Å; D46-R397 PolarHBondContact OD2-NH1 2.94Å; D46-R397 IonicContact OD2-NH2 3.92Å; D46-R397 PolarHBondContact OD2-NH2 3.2Å |
| 47 | N | 96.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.3 | -46.8 | 178 | -87.4 | -98.2 | 0 | 0 | 0 | 112.2 | F33 W43 I44 R45 C50 I51 L84 L88 | F33-N47 PolarHBondContact N-OD1 3.43Å; F33-N47 PolarHBondContact O-ND2 3.47Å; F33-N47 VanDerWaalsContact O-ND2 3.13Å; W43-N47 VanDerWaalsContact O-CB 3.27Å; W43-N47 WeakPolarHBondContact O-CB 3.28Å; W43-N47 PolarHBondContact O-N 2.92Å; W43-N47 PolarHBondContact O-ND2 2.84Å; I44-N47 PolarHBondContact O-N 3.08Å; R45-N47 VanDerWaalsContact C-N 3.27Å; R45-N47 PolarHBondContact O-N 3.01Å; N47-C50 PolarHBondContact O-N 2.99Å; N47-I51 PolarHBondContact O-N 2.74Å; N47-L84 HydrophobicContact CB-CD1 4.18Å; N47-L84 HydrophobicContact CB-CD2 4.31Å; N47-L88 HydrophobicContact CB-CD1 4.18Å |
| 48 | V | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.5 | -43.6 | 179.2 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | I44 R45 I51 L52 M85 L88 L140 Y141 I144 | I44-V48 HydrophobicContact CG2-CG2 4.37Å; I44-V48 VanDerWaalsContact O-CG2 3.27Å; I44-V48 WeakPolarHBondContact O-CG2 3.41Å; I44-V48 PolarHBondContact O-N 3.41Å; R45-V48 PolarHBondContact O-N 2.9Å; V48-I51 VanDerWaalsContact O-CG2 3.25Å; V48-I51 WeakPolarHBondContact O-CG2 3.31Å; V48-L52 WeakPolarHBondContact O-CG 3.2Å; V48-M85 HydrophobicContact CG2-SD 4.34Å; V48-L88 HydrophobicContact CG2-CD1 3.69Å; V48-L140 HydrophobicContact CB-CD2 4.16Å; V48-L140 HydrophobicContact CB-CG 4.38Å; V48-L140 HydrophobicContact CG1-CD1 4.48Å; V48-L140 HydrophobicContact CG1-CD2 4.05Å; V48-L140 HydrophobicContact CG1-CG 3.82Å; V48-Y141 HydrophobicContact CG2-CD2 4.11Å; V48-I144 HydrophobicContact CG1-CB 3.79Å; V48-I144 HydrophobicContact CG1-CG1 3.61Å; V48-I144 HydrophobicContact CG1-CG2 4.06Å |
| 49 | Y | 95.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 0% | 0.004 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.9 | -38.3 | 175.6 | -82.1 | -65.7 | 0 | 0 | 0 | 112.9 | R45 I51 L52 L140 P266 Y334 W402 S405 L406 | R45-Y49 HydrophobicContact CG-CD2 3.73Å; R45-Y49 HydrophobicContact CG-CE2 3.77Å; R45-Y49 WeakPolarHBondContact O-CD2 3.33Å; R45-Y49 PolarHBondContact O-N 3Å; Y49-I51 VanDerWaalsContact C-N 3.33Å; Y49-I51 PolarHBondContact O-N 3.4Å; Y49-L52 HydrophobicContact CD1-CD1 3.83Å; Y49-L52 HydrophobicContact CE1-CD1 4.4Å; Y49-L52 PolarHBondContact O-N 3.43Å; Y49-L140 HydrophobicContact CD2-CD2 3.56Å; Y49-L140 HydrophobicContact CE1-CD1 4.33Å; Y49-L140 HydrophobicContact CE1-CD2 4.44Å; Y49-L140 HydrophobicContact CE2-CD1 4.35Å; Y49-L140 HydrophobicContact CE2-CD2 3.23Å; Y49-L140 HydrophobicContact CE2-CG 4.42Å; Y49-L140 HydrophobicContact CG-CD2 4.3Å; Y49-P266 HydrophobicContact CE1-CG 4.28Å; Y49-Y334 WeakPolarHBondContact CE1-OH 3.25Å; Y49-Y334 VanDerWaalsContact CZ-OH 3.24Å; Y49-Y334 PolarHBondContact OH-OH 2.86Å; Y49-W402 AromaticContact CD1-CD1 3.75Å; Y49-W402 AromaticContact CD1-NE1 3.35Å; Y49-W402 VanDerWaalsContact CD1-NE1 3.35Å; Y49-W402 AromaticContact CD2-CD1 3.81Å; Y49-W402 AromaticContact CD2-CD2 3.81Å; Y49-W402 HydrophobicContact CD2-CD2 3.81Å; Y49-W402 AromaticContact CD2-CE2 3.3Å; Y49-W402 HydrophobicContact CD2-CE3 4.48Å; Y49-W402 HydrophobicContact CD2-CG 4.13Å; Y49-W402 HydrophobicContact CD2-CH2 4.39Å; Y49-W402 AromaticContact CD2-CZ2 3.63Å; Y49-W402 HydrophobicContact CD2-CZ2 3.63Å; Y49-W402 AromaticContact CD2-NE1 3.29Å; Y49-W402 VanDerWaalsContact CD2-NE1 3.29Å; Y49-W402 AromaticContact CE1-NE1 3.65Å; Y49-W402 HydrophobicContact CE2-CD2 4.33Å; Y49-W402 AromaticContact CE2-CE2 3.43Å; Y49-W402 VanDerWaalsContact CE2-CE2 3.43Å; Y49-W402 HydrophobicContact CE2-CH2 4.07Å; Y49-W402 AromaticContact CE2-CZ2 3.26Å; Y49-W402 HydrophobicContact CE2-CZ2 3.26Å; Y49-W402 AromaticContact CE2-NE1 3.58Å; Y49-W402 AromaticContact CG-CD1 3.39Å; Y49-W402 HydrophobicContact CG-CD2 4.17Å; Y49-W402 AromaticContact CG-CE2 3.72Å; Y49-W402 HydrophobicContact CG-CG 4.01Å; Y49-W402 HydrophobicContact CG-CZ2 4.42Å; Y49-W402 AromaticContact CG-NE1 3.17Å; Y49-W402 AromaticContact CZ-CE2 3.98Å; Y49-W402 AromaticContact CZ-CZ2 3.81Å; Y49-W402 AromaticContact CZ-NE1 3.77Å; Y49-S405 VanDerWaalsContact O-CB 3.26Å; Y49-S405 WeakPolarHBondContact O-CB 3.31Å; Y49-S405 PolarHBondContact O-OG 3.02Å; Y49-L406 HydrophobicContact CD1-CD2 4.18Å |
| 50 | C | 94.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.014 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 179.1 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | I22 F33 D46 N47 L52 L401 S405 | I22-C50 WeakPolarHBondContact CG2-SG 3.37Å; F33-C50 HydrophobicContact CD2-CB 4.19Å; D46-C50 WeakPolarHBondContact O-CB 3.3Å; D46-C50 PolarHBondContact O-N 3.47Å; N47-C50 PolarHBondContact O-N 2.99Å; C50-L52 VanDerWaalsContact C-N 3.25Å; C50-L52 PolarHBondContact O-N 2.63Å; C50-L401 HydrophobicContact CB-CB 4.46Å; C50-S405 PolarHBondContact O-OG 3.13Å |
| 51 | I | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -71.4 | -18.3 | -177.9 | -157.9 | 66.4 | 0 | 0 | 0 | 113.4 | F33 N47 V48 Y49 A53 V54 W55 C81 L84 M85 M148 | F33-I51 HydrophobicContact CE2-CD1 4.06Å; F33-I51 HydrophobicContact CZ-CD1 4.41Å; N47-I51 PolarHBondContact O-N 2.74Å; V48-I51 VanDerWaalsContact O-CG2 3.25Å; V48-I51 WeakPolarHBondContact O-CG2 3.31Å; Y49-I51 VanDerWaalsContact C-N 3.33Å; Y49-I51 PolarHBondContact O-N 3.4Å; I51-A53 VanDerWaalsContact C-N 3.29Å; I51-A53 PolarHBondContact O-N 2.86Å; I51-V54 HydrophobicContact CD1-CB 3.87Å; I51-V54 HydrophobicContact CD1-CG1 4.23Å; I51-V54 HydrophobicContact CD1-CG2 3.9Å; I51-V54 HydrophobicContact CG1-CB 4.42Å; I51-V54 WeakPolarHBondContact O-CB 3.37Å; I51-V54 PolarHBondContact O-N 3.26Å; I51-W55 PolarHBondContact O-N 3.12Å; I51-C81 HydrophobicContact CD1-CB 4.43Å; I51-C81 HydrophobicContact CG1-CB 4.03Å; I51-L84 HydrophobicContact CB-CD1 4.15Å; I51-L84 HydrophobicContact CB-CD2 4.1Å; I51-L84 HydrophobicContact CD1-CB 4.29Å; I51-L84 HydrophobicContact CD1-CD1 4.22Å; I51-L84 HydrophobicContact CG1-CB 4.42Å; I51-L84 HydrophobicContact CG1-CD1 4.42Å; I51-L84 HydrophobicContact CG1-CD2 4.42Å; I51-L84 HydrophobicContact CG2-CD2 3.96Å; I51-M85 HydrophobicContact CG2-SD 4.45Å; I51-M148 HydrophobicContact CG2-CE 3.84Å |
| 52 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.3 | -35.8 | -179.3 | -62.3 | 178.1 | 0 | 0 | 0 | 112.7 | V48 Y49 C50 V54 W55 G56 I144 M148 F265 L406 L409 | V48-L52 WeakPolarHBondContact O-CG 3.2Å; Y49-L52 HydrophobicContact CD1-CD1 3.83Å; Y49-L52 HydrophobicContact CE1-CD1 4.4Å; Y49-L52 PolarHBondContact O-N 3.43Å; C50-L52 VanDerWaalsContact C-N 3.25Å; C50-L52 PolarHBondContact O-N 2.63Å; L52-V54 VanDerWaalsContact C-N 3.33Å; L52-V54 PolarHBondContact O-N 3.42Å; L52-W55 HydrophobicContact CD2-CE3 3.89Å; L52-W55 HydrophobicContact CD2-CZ3 4.24Å; L52-W55 PolarHBondContact O-N 2.73Å; L52-G56 PolarHBondContact O-N 3.21Å; L52-I144 HydrophobicContact CD2-CD1 3.85Å; L52-I144 HydrophobicContact CD2-CG1 4.11Å; L52-I144 HydrophobicContact CD2-CG2 3.7Å; L52-M148 HydrophobicContact CD2-CE 4.38Å; L52-F265 HydrophobicContact CD1-CE1 4.05Å; L52-F265 HydrophobicContact CD1-CZ 4.18Å; L52-L406 HydrophobicContact CD1-CD2 4.42Å; L52-L409 HydrophobicContact CB-CD1 3.6Å; L52-L409 WeakPolarHBondContact O-CD2 3.23Å |
| 53 | A | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.5 | -36.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I22 I51 L57 S405 I408 | I22-A53 HydrophobicContact CD1-CB 4.1Å; I51-A53 VanDerWaalsContact C-N 3.29Å; I51-A53 PolarHBondContact O-N 2.86Å; A53-L57 VanDerWaalsContact O-CB 3.25Å; A53-L57 WeakPolarHBondContact O-CB 3.35Å; A53-L57 PolarHBondContact O-N 3.38Å; A53-S405 VanDerWaalsContact CB-OG 3.29Å; A53-S405 WeakPolarHBondContact CB-OG 3.44Å; A53-S405 PolarHBondContact N-OG 2.68Å; A53-I408 HydrophobicContact CB-CB 4.11Å; A53-I408 HydrophobicContact CB-CD1 4.38Å; A53-I408 HydrophobicContact CB-CG2 4.14Å |
| 54 | V | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.2 | -44.8 | 175.9 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | V18 I22 L23 I51 L52 L57 S58 L77 | V18-V54 HydrophobicContact CG1-CG2 3.74Å; I22-V54 HydrophobicContact CG2-CG2 4.03Å; L23-V54 HydrophobicContact CD2-CG1 4.1Å; L23-V54 HydrophobicContact CD2-CG2 3.89Å; L23-V54 HydrophobicContact CG-CG2 4.37Å; I51-V54 HydrophobicContact CD1-CB 3.87Å; I51-V54 HydrophobicContact CD1-CG1 4.23Å; I51-V54 HydrophobicContact CD1-CG2 3.9Å; I51-V54 HydrophobicContact CG1-CB 4.42Å; I51-V54 WeakPolarHBondContact O-CB 3.37Å; I51-V54 PolarHBondContact O-N 3.26Å; L52-V54 VanDerWaalsContact C-N 3.33Å; L52-V54 PolarHBondContact O-N 3.42Å; V54-L57 PolarHBondContact O-N 3.2Å; V54-S58 PolarHBondContact O-N 3.44Å; V54-L77 HydrophobicContact CG1-CB 4.11Å; V54-L77 HydrophobicContact CG1-CD2 3.82Å |
| 55 | W | 96.6 | Very high | 92 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.4 | -48.6 | 175.8 | 175.2 | 53.6 | 0 | 0 | 0 | 112.3 | I51 L52 L57 S58 M59 Q147 M148 S151 L423 | I51-W55 PolarHBondContact O-N 3.12Å; L52-W55 HydrophobicContact CD2-CE3 3.89Å; L52-W55 HydrophobicContact CD2-CZ3 4.24Å; L52-W55 PolarHBondContact O-N 2.73Å; W55-L57 VanDerWaalsContact C-N 3.3Å; W55-L57 PolarHBondContact O-N 2.83Å; W55-S58 PolarHBondContact O-N 3.42Å; W55-S58 VanDerWaalsContact O-N 3.14Å; W55-S58 PolarHBondContact O-OG 3.44Å; W55-M59 HydrophobicContact CD2-SD 4.3Å; W55-M59 HydrophobicContact CH2-SD 4.46Å; W55-M59 HydrophobicContact CZ2-SD 3.71Å; W55-M59 WeakPolarHBondContact O-CG 3.43Å; W55-M59 PolarHBondContact O-N 3.24Å; W55-Q147 HydrophobicContact CH2-CB 4.07Å; W55-M148 HydrophobicContact CB-CE 3.86Å; W55-M148 HydrophobicContact CD2-CE 4.18Å; W55-M148 HydrophobicContact CD2-CG 4.1Å; W55-M148 HydrophobicContact CE3-CE 4.46Å; W55-M148 HydrophobicContact CG-CE 3.93Å; W55-M148 HydrophobicContact CG-CG 4.26Å; W55-M148 HydrophobicContact CZ2-CG 4.42Å; W55-S151 PolarHBondContact NE1-OG 3.4Å; W55-L423 HydrophobicContact CE3-CD2 4.24Å; W55-L423 HydrophobicContact CH2-CD2 4.47Å; W55-L423 HydrophobicContact CZ3-CD2 3.96Å |
| 56 | G | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L52 M59 A60 L418 | L52-G56 PolarHBondContact O-N 3.21Å; G56-M59 PolarHBondContact O-N 3.17Å; G56-A60 PolarHBondContact O-N 3.22Å; G56-L418 WeakPolarHBondContact O-CD1 3.47Å; G56-L418 WeakPolarHBondContact O-CD2 2.95Å |
| 57 | L | 95.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.1 | -39.3 | 175.2 | -175.7 | 64.1 | 0 | 0 | 0 | 112.1 | L11 Q15 V18 A53 V54 W55 M59 A60 Y61 L77 L412 | L11-L57 HydrophobicContact CD2-CD1 4.15Å; Q15-L57 HydrophobicContact CB-CD2 4.13Å; V18-L57 HydrophobicContact CB-CD2 4.11Å; V18-L57 HydrophobicContact CG1-CD2 4.46Å; V18-L57 HydrophobicContact CG2-CD2 3.99Å; A53-L57 VanDerWaalsContact O-CB 3.25Å; A53-L57 WeakPolarHBondContact O-CB 3.35Å; A53-L57 PolarHBondContact O-N 3.38Å; V54-L57 PolarHBondContact O-N 3.2Å; W55-L57 VanDerWaalsContact C-N 3.3Å; W55-L57 PolarHBondContact O-N 2.83Å; L57-M59 VanDerWaalsContact C-N 3.31Å; L57-M59 PolarHBondContact O-N 3.37Å; L57-A60 PolarHBondContact O-N 2.63Å; L57-Y61 HydrophobicContact CD1-CD2 4.08Å; L57-Y61 HydrophobicContact CD1-CE2 3.84Å; L57-Y61 HydrophobicContact CD2-CE2 4.25Å; L57-Y61 HydrophobicContact CG-CD2 3.97Å; L57-Y61 HydrophobicContact CG-CE2 3.9Å; L57-Y61 WeakPolarHBondContact O-CD2 3.35Å; L57-Y61 PolarHBondContact O-N 3.26Å; L57-L77 HydrophobicContact CB-CD1 4.36Å; L57-L77 HydrophobicContact CD2-CD1 3.95Å; L57-L77 HydrophobicContact CD2-CD2 4.45Å; L57-L77 HydrophobicContact CG-CD1 3.88Å; L57-L412 HydrophobicContact CB-CD1 4.36Å; L57-L412 HydrophobicContact CD1-CD2 4.42Å |
| 58 | S | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 176.5 | 83.2 | 0 | 0 | 0 | 0 | 111 | V54 W55 A60 Y61 K62 C74 | V54-S58 PolarHBondContact O-N 3.44Å; W55-S58 PolarHBondContact O-N 3.42Å; W55-S58 VanDerWaalsContact O-N 3.14Å; W55-S58 PolarHBondContact O-OG 3.44Å; S58-A60 PolarHBondContact O-N 2.87Å; S58-Y61 PolarHBondContact O-N 2.91Å; S58-K62 WeakPolarHBondContact O-CB 3.47Å; S58-K62 PolarHBondContact O-N 3.47Å; S58-C74 PolarHBondContact O-SG 2.88Å; S58-C74 VanDerWaalsContact O-SG 3.35Å |
| 59 | M | 92.7 | Very high | 88 | Confident | 27 Ų | 27 | 37 Ų | 37 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 174.7 | -65.8 | -169.1 | 80.5 | 0 | 0 | 112.7 | W55 G56 L57 K62 K63 L418 E422 | W55-M59 HydrophobicContact CD2-SD 4.3Å; W55-M59 HydrophobicContact CH2-SD 4.46Å; W55-M59 HydrophobicContact CZ2-SD 3.71Å; W55-M59 WeakPolarHBondContact O-CG 3.43Å; W55-M59 PolarHBondContact O-N 3.24Å; G56-M59 PolarHBondContact O-N 3.17Å; L57-M59 VanDerWaalsContact C-N 3.31Å; L57-M59 PolarHBondContact O-N 3.37Å; M59-K62 WeakPolarHBondContact O-CB 3.31Å; M59-K62 PolarHBondContact O-N 3.39Å; M59-K63 PolarHBondContact O-N 2.85Å; M59-K63 VanDerWaalsContact O-N 3.09Å; M59-L418 HydrophobicContact CB-CD2 3.84Å; M59-E422 HydrophobicContact CE-CB 3.65Å; M59-E422 HydrophobicContact CE-CG 4.31Å; M59-E422 WeakPolarHBondContact CE-O 3.24Å; M59-E422 HydrophobicContact SD-CB 4.36Å |
| 60 | A | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L11 G56 L57 S58 K63 I64 F417 L418 | L11-A60 HydrophobicContact CD2-CB 3.87Å; G56-A60 PolarHBondContact O-N 3.22Å; L57-A60 PolarHBondContact O-N 2.63Å; S58-A60 PolarHBondContact O-N 2.87Å; A60-K63 PolarHBondContact O-N 3.38Å; A60-I64 PolarHBondContact O-N 3.16Å; A60-F417 HydrophobicContact CB-CB 4.18Å; A60-L418 HydrophobicContact CB-CD2 4.01Å; A60-L418 HydrophobicContact CB-CG 4.25Å |
| 61 | Y | 90.7 | Very high | 87 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 172.5 | -85.4 | -70.5 | 0 | 0 | 0 | 111.7 | L11 D12 Q15 L57 S58 K63 I64 A65 D70 K73 L77 | L11-Y61 HydrophobicContact CB-CE1 4.21Å; L11-Y61 PolarHBondContact O-OH 3.39Å; D12-Y61 PolarHBondContact N-OH 3.44Å; D12-Y61 PolarHBondContact OD1-OH 3.28Å; Q15-Y61 HydrophobicContact CB-CE2 4.17Å; Q15-Y61 WeakPolarHBondContact CB-OH 3.13Å; Q15-Y61 HydrophobicContact CG-CE2 4.38Å; L57-Y61 HydrophobicContact CD1-CD2 4.08Å; L57-Y61 HydrophobicContact CD1-CE2 3.84Å; L57-Y61 HydrophobicContact CD2-CE2 4.25Å; L57-Y61 HydrophobicContact CG-CD2 3.97Å; L57-Y61 HydrophobicContact CG-CE2 3.9Å; L57-Y61 WeakPolarHBondContact O-CD2 3.35Å; L57-Y61 PolarHBondContact O-N 3.26Å; S58-Y61 PolarHBondContact O-N 2.91Å; Y61-K63 PolarHBondContact O-N 3.2Å; Y61-I64 CarbonylContact O-C 3.47Å; Y61-I64 PolarHBondContact O-N 3.5Å; Y61-I64 VanDerWaalsContact O-N 3.11Å; Y61-A65 WeakPolarHBondContact O-CA 3.39Å; Y61-A65 WeakPolarHBondContact O-CB 3.12Å; Y61-A65 PolarHBondContact O-N 3.22Å; Y61-D70 HydrophobicContact CD1-CB 4.08Å; Y61-K73 HydrophobicContact CE1-CD 4.07Å; Y61-L77 HydrophobicContact CD2-CD1 3.82Å; Y61-L77 HydrophobicContact CE2-CD1 4.2Å |
| 62 | K | 87.5 | Confident | 86.6 | Confident | 106 Ų | 106 | 47.4 Ų | 47.4 | 46% | 0.461 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -55.4 | -36.2 | 178.3 | -166.3 | 171.6 | -169.6 | 160.2 | 0 | 112.9 | S58 M59 E78 | S58-K62 WeakPolarHBondContact O-CB 3.47Å; S58-K62 PolarHBondContact O-N 3.47Å; M59-K62 WeakPolarHBondContact O-CB 3.31Å; M59-K62 PolarHBondContact O-N 3.39Å; K62-E78 IonicContact NZ-OE1 3.77Å; K62-E78 PolarHBondContact NZ-OE1 2.91Å |
| 63 | K | 83.6 | Confident | 86.2 | Confident | 108 Ų | 108 | 48.9 Ų | 48.9 | 47% | 0.47 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -76 | -35.2 | 178.6 | -175.2 | -177.5 | -167.6 | 156.6 | 0 | 113.8 | M59 A60 Y61 E422 | M59-K63 PolarHBondContact O-N 2.85Å; M59-K63 VanDerWaalsContact O-N 3.09Å; A60-K63 PolarHBondContact O-N 3.38Å; Y61-K63 PolarHBondContact O-N 3.2Å; K63-E422 WeakPolarHBondContact CD-OE1 3.1Å; K63-E422 WeakPolarHBondContact CE-OE1 3.4Å; K63-E422 IonicContact NZ-OE1 3.59Å; K63-E422 PolarHBondContact NZ-OE1 3.1Å; K63-E422 IonicContact NZ-OE2 3.4Å |
| 64 | I | 77.9 | Confident | 86 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 21% | 0.205 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -107.3 | -1.1 | -169.4 | -62.5 | 163.7 | 0 | 0 | 0 | 111.8 | L11 A60 Y61 D66 F417 | L11-I64 HydrophobicContact CD1-CB 4.18Å; L11-I64 HydrophobicContact CD1-CD1 3.75Å; L11-I64 HydrophobicContact CD1-CG2 4.07Å; A60-I64 PolarHBondContact O-N 3.16Å; Y61-I64 CarbonylContact O-C 3.47Å; Y61-I64 PolarHBondContact O-N 3.5Å; Y61-I64 VanDerWaalsContact O-N 3.11Å; I64-D66 PolarHBondContact O-N 3.12Å; I64-F417 HydrophobicContact CD1-CD1 3.65Å; I64-F417 HydrophobicContact CD1-CE1 4.34Å |
| 65 | A | 69.6 | Low | 85.8 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | trans | -65.2 | 87.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y61 D70 R71 | Y61-A65 WeakPolarHBondContact O-CA 3.39Å; Y61-A65 WeakPolarHBondContact O-CB 3.12Å; Y61-A65 PolarHBondContact O-N 3.22Å; A65-D70 HydrophobicContact CB-CB 4Å; A65-R71 HydrophobicContact CB-CG 3.87Å | ||
| 66 | D | 68.6 | Low | 85.6 | Confident | 142 Ų | 142 | 60.8 Ų | 60.8 | 76% | 0.759 | 29% | 0.293 | S | S | * | . | trans | -86 | -20.5 | 172.9 | -68.6 | -29.1 | 0 | 0 | 0 | 112 | I64 | I64-D66 PolarHBondContact O-N 3.12Š| ||
| 67 | Q | 71.6 | Confident | 85.6 | Confident | 86 Ų | 86 | 61 Ų | 61 | 40% | 0.402 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -119.7 | 151.9 | -175.1 | -60.9 | -177.7 | -10.4 | 0 | 0 | 111.8 | R4 E69 D70 R71 | R4-Q67 VanDerWaalsContact NH2-OE1 3.13Å; Q67-E69 PolarHBondContact O-N 3.37Å; Q67-D70 PolarHBondContact O-N 3.36Å; Q67-D70 VanDerWaalsContact O-N 3.1Å; Q67-R71 PolarHBondContact O-N 2.95Å |
| 68 | D | 76.3 | Confident | 85.6 | Confident | 125 Ų | 125 | 62.6 Ų | 62.6 | 67% | 0.668 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.6 | -29.9 | 176.5 | -68.4 | -31.8 | 0 | 0 | 0 | 112.6 | D70 R71 A72 | D68-D70 VanDerWaalsContact C-N 3.34Å; D68-D70 PolarHBondContact O-N 3.23Å; D68-R71 PolarHBondContact O-N 2.9Å; D68-R71 IonicContact OD1-NH1 3.05Å; D68-R71 PolarHBondContact OD1-NH1 2.87Å; D68-A72 PolarHBondContact O-N 2.77Å |
| 69 | E | 80.3 | Confident | 85.7 | Confident | 117 Ų | 117 | 66.4 Ų | 66.4 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 172.6 | -69.5 | -176.9 | -169.8 | 0 | 0 | 112.3 | R4 Q67 R71 A72 K73 | R4-E69 IonicContact CZ-OE2 3.89Å; R4-E69 IonicContact NH2-OE2 3.57Å; R4-E69 PolarHBondContact NH2-OE2 3.1Å; Q67-E69 PolarHBondContact O-N 3.37Å; E69-R71 VanDerWaalsContact C-N 3.33Å; E69-A72 PolarHBondContact O-N 2.97Å; E69-K73 WeakPolarHBondContact O-CG 3.4Å; E69-K73 PolarHBondContact O-N 3.24Å |
| 70 | D | 82.9 | Confident | 85.8 | Confident | 14 Ų | 14 | 66 Ų | 66 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.4 | -32.4 | -179 | -63.5 | -35.7 | 0 | 0 | 0 | 111 | R4 Y61 A65 Q67 D68 K73 C74 | R4-D70 IonicContact NH2-OD1 3.07Å; Y61-D70 HydrophobicContact CD1-CB 4.08Å; A65-D70 HydrophobicContact CB-CB 4Å; Q67-D70 PolarHBondContact O-N 3.36Å; Q67-D70 VanDerWaalsContact O-N 3.1Å; D68-D70 VanDerWaalsContact C-N 3.34Å; D68-D70 PolarHBondContact O-N 3.23Å; D70-K73 IonicContact OD1-NZ 3.73Å; D70-C74 WeakPolarHBondContact O-CB 3.22Å; D70-C74 PolarHBondContact O-N 3.37Å |
| 71 | R | 85.5 | Confident | 86.1 | Confident | 148 Ų | 148 | 66 Ų | 66 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 171.2 | -65.1 | 178.7 | 177.3 | 168.1 | -5.9 | 112.1 | A65 Q67 D68 E69 C74 Y75 | A65-R71 HydrophobicContact CB-CG 3.87Å; Q67-R71 PolarHBondContact O-N 2.95Å; D68-R71 PolarHBondContact O-N 2.9Å; D68-R71 IonicContact OD1-NH1 3.05Å; D68-R71 PolarHBondContact OD1-NH1 2.87Å; E69-R71 VanDerWaalsContact C-N 3.33Å; R71-C74 WeakPolarHBondContact O-CB 3.36Å; R71-C74 PolarHBondContact O-N 3.02Å; R71-Y75 PolarHBondContact O-N 3.47Å |
| 72 | A | 87.6 | Confident | 86.3 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D68 E69 Y75 E76 | D68-A72 PolarHBondContact O-N 2.77Å; E69-A72 PolarHBondContact O-N 2.97Å; A72-Y75 PolarHBondContact O-N 3.05Å; A72-E76 PolarHBondContact O-N 3.47Å |
| 73 | K | 89.3 | Confident | 86.8 | Confident | 31 Ų | 31 | 65.2 Ų | 65.2 | 14% | 0.135 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 173.8 | -70.1 | 172.7 | -178.5 | 173 | 0 | 112.1 | D12 Y61 E69 D70 Y75 E76 L77 | D12-K73 IonicContact OD1-NZ 3.43Å; D12-K73 PolarHBondContact OD1-NZ 3.04Å; D12-K73 IonicContact OD2-NZ 2.71Å; Y61-K73 HydrophobicContact CE1-CD 4.07Å; E69-K73 WeakPolarHBondContact O-CG 3.4Å; E69-K73 PolarHBondContact O-N 3.24Å; D70-K73 IonicContact OD1-NZ 3.73Å; K73-Y75 VanDerWaalsContact C-N 3.3Å; K73-Y75 PolarHBondContact O-N 2.84Å; K73-E76 PolarHBondContact O-N 3.46Å; K73-L77 VanDerWaalsContact O-CG 3.3Å; K73-L77 WeakPolarHBondContact O-CG 3.18Å; K73-L77 PolarHBondContact O-N 3.46Å |
| 74 | C | 91.6 | Very high | 87.4 | Confident | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.3 | -48.2 | 175.7 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | S58 D70 R71 L77 E78 | S58-C74 PolarHBondContact O-SG 2.88Å; S58-C74 VanDerWaalsContact O-SG 3.35Å; D70-C74 WeakPolarHBondContact O-CB 3.22Å; D70-C74 PolarHBondContact O-N 3.37Å; R71-C74 WeakPolarHBondContact O-CB 3.36Å; R71-C74 PolarHBondContact O-N 3.02Å; C74-L77 PolarHBondContact O-N 3.29Å; C74-E78 WeakPolarHBondContact O-CG 3.5Å; C74-E78 PolarHBondContact O-N 3.44Å |
| 75 | Y | 91.9 | Very high | 88.3 | Confident | 142 Ų | 142 | 58.1 Ų | 58.1 | 56% | 0.557 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 179.4 | -178 | -101.9 | 0 | 0 | 0 | 112.2 | R71 A72 K73 L77 E78 Q79 | R71-Y75 PolarHBondContact O-N 3.47Å; A72-Y75 PolarHBondContact O-N 3.05Å; K73-Y75 VanDerWaalsContact C-N 3.3Å; K73-Y75 PolarHBondContact O-N 2.84Å; Y75-L77 VanDerWaalsContact C-N 3.34Å; Y75-L77 PolarHBondContact O-N 2.92Å; Y75-E78 PolarHBondContact O-N 3.34Å; Y75-Q79 HydrophobicContact CD1-CG 4.06Å; Y75-Q79 HydrophobicContact CD2-CG 4.4Å; Y75-Q79 HydrophobicContact CE1-CG 3.63Å; Y75-Q79 HydrophobicContact CE2-CG 4.01Å; Y75-Q79 HydrophobicContact CG-CG 4.43Å; Y75-Q79 WeakPolarHBondContact O-CG 3.4Å; Y75-Q79 PolarHBondContact O-N 2.7Å |
| 76 | E | 93.5 | Very high | 89.6 | Confident | 100 Ų | 100 | 59.6 Ų | 59.6 | 47% | 0.467 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 176.4 | -174.3 | -174 | 170.6 | 0 | 0 | 112.2 | A72 K73 Q79 S80 | A72-E76 PolarHBondContact O-N 3.47Å; K73-E76 PolarHBondContact O-N 3.46Å; E76-Q79 PolarHBondContact O-N 2.87Å; E76-S80 WeakPolarHBondContact O-CB 3.49Å; E76-S80 PolarHBondContact O-N 2.95Å; E76-S80 PolarHBondContact O-OG 3.23Å |
| 77 | L | 95.3 | Very high | 91 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 176.6 | -64.5 | 170 | 0 | 0 | 0 | 111.3 | L23 V54 L57 Y61 K73 C74 Y75 Q79 S80 C81 | L23-L77 HydrophobicContact CD1-CD2 3.79Å; V54-L77 HydrophobicContact CG1-CB 4.11Å; V54-L77 HydrophobicContact CG1-CD2 3.82Å; L57-L77 HydrophobicContact CB-CD1 4.36Å; L57-L77 HydrophobicContact CD2-CD1 3.95Å; L57-L77 HydrophobicContact CD2-CD2 4.45Å; L57-L77 HydrophobicContact CG-CD1 3.88Å; Y61-L77 HydrophobicContact CD2-CD1 3.82Å; Y61-L77 HydrophobicContact CE2-CD1 4.2Å; K73-L77 VanDerWaalsContact O-CG 3.3Å; K73-L77 WeakPolarHBondContact O-CG 3.18Å; K73-L77 PolarHBondContact O-N 3.46Å; C74-L77 PolarHBondContact O-N 3.29Å; Y75-L77 VanDerWaalsContact C-N 3.34Å; Y75-L77 PolarHBondContact O-N 2.92Å; L77-Q79 PolarHBondContact O-N 2.83Å; L77-S80 WeakPolarHBondContact O-CB 3.49Å; L77-S80 PolarHBondContact O-N 3.1Å; L77-C81 PolarHBondContact O-N 2.94Å; L77-C81 PolarHBondContact O-SG 3.42Å; L77-C81 VanDerWaalsContact O-SG 3.32Å |
| 78 | E | 95.4 | Very high | 92.2 | Very high | 32 Ų | 32 | 49.2 Ų | 49.2 | 15% | 0.15 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 176 | -75.3 | -177.6 | 158.7 | 0 | 0 | 111.5 | K62 C74 Y75 S80 C81 V82 L153 | K62-E78 IonicContact NZ-OE1 3.77Å; K62-E78 PolarHBondContact NZ-OE1 2.91Å; C74-E78 WeakPolarHBondContact O-CG 3.5Å; C74-E78 PolarHBondContact O-N 3.44Å; Y75-E78 PolarHBondContact O-N 3.34Å; E78-S80 VanDerWaalsContact C-N 3.32Å; E78-S80 PolarHBondContact O-N 3.04Å; E78-C81 WeakPolarHBondContact O-CB 3.48Å; E78-C81 PolarHBondContact O-N 3.41Å; E78-V82 WeakPolarHBondContact O-CG2 3.45Å; E78-V82 PolarHBondContact O-N 2.92Å; E78-L153 HydrophobicContact CG-CD1 4.33Å; E78-L153 HydrophobicContact CG-CG 4.47Å |
| 79 | Q | 95.3 | Very high | 93.2 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 38% | 0.379 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.8 | -35.2 | 177.1 | -68.3 | -47.8 | -59.2 | 0 | 0 | 112.3 | Y75 E76 L77 C81 V82 K83 | Y75-Q79 HydrophobicContact CD1-CG 4.06Å; Y75-Q79 HydrophobicContact CD2-CG 4.4Å; Y75-Q79 HydrophobicContact CE1-CG 3.63Å; Y75-Q79 HydrophobicContact CE2-CG 4.01Å; Y75-Q79 HydrophobicContact CG-CG 4.43Å; Y75-Q79 WeakPolarHBondContact O-CG 3.4Å; Y75-Q79 PolarHBondContact O-N 2.7Å; E76-Q79 PolarHBondContact O-N 2.87Å; L77-Q79 PolarHBondContact O-N 2.83Å; Q79-C81 VanDerWaalsContact C-N 3.32Å; Q79-C81 PolarHBondContact O-N 2.81Å; Q79-V82 PolarHBondContact O-N 3.27Å; Q79-K83 VanDerWaalsContact O-CB 3.28Å; Q79-K83 WeakPolarHBondContact O-CB 3.4Å; Q79-K83 PolarHBondContact O-N 2.96Å |
| 80 | S | 96.1 | Very high | 93.9 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 12% | 0.119 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 174.3 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | Q26 E76 L77 E78 L84 | Q26-S80 PolarHBondContact NE2-O 3.32Å; E76-S80 WeakPolarHBondContact O-CB 3.49Å; E76-S80 PolarHBondContact O-N 2.95Å; E76-S80 PolarHBondContact O-OG 3.23Å; L77-S80 WeakPolarHBondContact O-CB 3.49Å; L77-S80 PolarHBondContact O-N 3.1Å; E78-S80 VanDerWaalsContact C-N 3.32Å; E78-S80 PolarHBondContact O-N 3.04Å; S80-L84 PolarHBondContact O-N 3.32Å |
| 81 | C | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -50.1 | 173.2 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | I51 L77 E78 Q79 K83 L84 M85 L153 | I51-C81 HydrophobicContact CD1-CB 4.43Å; I51-C81 HydrophobicContact CG1-CB 4.03Å; L77-C81 PolarHBondContact O-N 2.94Å; L77-C81 PolarHBondContact O-SG 3.42Å; L77-C81 VanDerWaalsContact O-SG 3.32Å; E78-C81 WeakPolarHBondContact O-CB 3.48Å; E78-C81 PolarHBondContact O-N 3.41Å; Q79-C81 VanDerWaalsContact C-N 3.32Å; Q79-C81 PolarHBondContact O-N 2.81Å; C81-K83 VanDerWaalsContact C-N 3.28Å; C81-K83 PolarHBondContact O-N 3.06Å; C81-L84 PolarHBondContact O-N 3.07Å; C81-M85 WeakPolarHBondContact O-CG 3.38Å; C81-M85 PolarHBondContact O-N 2.82Å; C81-L153 HydrophobicContact CB-CD2 4Å |
| 82 | V | 96.6 | Very high | 95.1 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 178.6 | 170 | 0 | 0 | 0 | 0 | 110.4 | E78 Q79 L84 M85 R86 L153 I155 F157 | E78-V82 WeakPolarHBondContact O-CG2 3.45Å; E78-V82 PolarHBondContact O-N 2.92Å; Q79-V82 PolarHBondContact O-N 3.27Å; V82-L84 PolarHBondContact O-N 3.44Å; V82-M85 PolarHBondContact O-N 3.46Å; V82-R86 HydrophobicContact CG1-CG 4.19Å; V82-R86 VanDerWaalsContact O-CB 3.29Å; V82-R86 WeakPolarHBondContact O-CB 3.41Å; V82-R86 WeakPolarHBondContact O-CG 3.34Å; V82-R86 PolarHBondContact O-N 2.86Å; V82-L153 HydrophobicContact CG2-CD2 4.47Å; V82-I155 HydrophobicContact CG2-CG1 4.16Å; V82-F157 HydrophobicContact CG1-CZ 4.39Å |
| 83 | K | 96.4 | Very high | 95.5 | Very high | 83 Ų | 83 | 32.1 Ų | 32.1 | 36% | 0.361 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.5 | -46.4 | -179.1 | -165.3 | -178.4 | -175.5 | 171.3 | 0 | 112.5 | P28 Q79 C81 G87 | P28-K83 WeakPolarHBondContact O-CE 3.32Å; P28-K83 PolarHBondContact O-NZ 3.3Å; Q79-K83 VanDerWaalsContact O-CB 3.28Å; Q79-K83 WeakPolarHBondContact O-CB 3.4Å; Q79-K83 PolarHBondContact O-N 2.96Å; C81-K83 VanDerWaalsContact C-N 3.28Å; C81-K83 PolarHBondContact O-N 3.06Å; K83-G87 PolarHBondContact O-N 3.21Å |
| 84 | L | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -49.3 | 177.6 | -179.8 | 145.8 | 0 | 0 | 0 | 112.1 | G31 F33 N47 I51 S80 C81 V82 R86 G87 L88 | G31-L84 WeakPolarHBondContact O-CA 3.36Å; G31-L84 WeakPolarHBondContact O-CB 3.4Å; F33-L84 HydrophobicContact CD2-CD1 3.2Å; F33-L84 HydrophobicContact CE2-CD1 3.2Å; F33-L84 HydrophobicContact CG-CD1 4.32Å; F33-L84 HydrophobicContact CZ-CD1 4.31Å; N47-L84 HydrophobicContact CB-CD1 4.18Å; N47-L84 HydrophobicContact CB-CD2 4.31Å; I51-L84 HydrophobicContact CB-CD1 4.15Å; I51-L84 HydrophobicContact CB-CD2 4.1Å; I51-L84 HydrophobicContact CD1-CB 4.29Å; I51-L84 HydrophobicContact CD1-CD1 4.22Å; I51-L84 HydrophobicContact CG1-CB 4.42Å; I51-L84 HydrophobicContact CG1-CD1 4.42Å; I51-L84 HydrophobicContact CG1-CD2 4.42Å; I51-L84 HydrophobicContact CG2-CD2 3.96Å; S80-L84 PolarHBondContact O-N 3.32Å; C81-L84 PolarHBondContact O-N 3.07Å; V82-L84 PolarHBondContact O-N 3.44Å; L84-R86 PolarHBondContact O-N 3.02Å; L84-G87 PolarHBondContact O-N 3.36Å; L84-G87 VanDerWaalsContact O-N 3.08Å; L84-L88 HydrophobicContact CD2-CD1 3.91Å; L84-L88 PolarHBondContact O-N 3.4Å |
| 85 | M | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -33.4 | -177.3 | -68 | -61.3 | -73.2 | 0 | 0 | 111.8 | V48 I51 C81 V82 L89 Y141 I144 L145 M148 I155 | V48-M85 HydrophobicContact CG2-SD 4.34Å; I51-M85 HydrophobicContact CG2-SD 4.45Å; C81-M85 WeakPolarHBondContact O-CG 3.38Å; C81-M85 PolarHBondContact O-N 2.82Å; V82-M85 PolarHBondContact O-N 3.46Å; M85-L89 PolarHBondContact O-N 2.96Å; M85-L89 VanDerWaalsContact O-N 3.1Å; M85-Y141 HydrophobicContact CB-CE2 4.5Å; M85-Y141 HydrophobicContact CE-CD2 3.6Å; M85-Y141 HydrophobicContact CE-CE2 3.45Å; M85-Y141 VanDerWaalsContact CE-CE2 3.45Å; M85-Y141 HydrophobicContact CE-CG 4.42Å; M85-Y141 WeakPolarHBondContact O-CE2 3.19Å; M85-Y141 PolarHBondContact O-OH 3Å; M85-Y141 HydrophobicContact SD-CD2 4.21Å; M85-Y141 HydrophobicContact SD-CE2 4.05Å; M85-I144 HydrophobicContact CE-CG2 4.35Å; M85-L145 HydrophobicContact CE-CB 4.1Å; M85-M148 HydrophobicContact CG-SD 3.87Å; M85-M148 HydrophobicContact SD-SD 4.44Å; M85-I155 HydrophobicContact CB-CD1 4.15Å; M85-I155 HydrophobicContact CB-CG2 3.84Å; M85-I155 HydrophobicContact CG-CD1 4.23Å |
| 86 | R | 96.4 | Very high | 96.1 | Very high | 50 Ų | 50 | 31.7 Ų | 31.7 | 19% | 0.189 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.6 | -37.7 | 171.8 | -70.7 | -176.3 | 62.9 | 65.2 | 7.4 | 112.8 | V82 L84 L88 L89 M90 I155 F157 E161 | V82-R86 HydrophobicContact CG1-CG 4.19Å; V82-R86 VanDerWaalsContact O-CB 3.29Å; V82-R86 WeakPolarHBondContact O-CB 3.41Å; V82-R86 WeakPolarHBondContact O-CG 3.34Å; V82-R86 PolarHBondContact O-N 2.86Å; L84-R86 PolarHBondContact O-N 3.02Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3.19Å; R86-L89 WeakPolarHBondContact O-CB 3.43Å; R86-L89 PolarHBondContact O-N 3Å; R86-M90 VanDerWaalsContact NH2-CE 3.33Å; R86-M90 VanDerWaalsContact O-CG 3.3Å; R86-M90 WeakPolarHBondContact O-CG 3.3Å; R86-M90 PolarHBondContact O-N 3.04Å; R86-I155 WeakPolarHBondContact CD-O 3.3Å; R86-I155 HydrophobicContact CG-CG2 4Å; R86-I155 WeakPolarHBondContact CG-O 3.29Å; R86-I155 PolarHBondContact NH1-O 3.2Å; R86-F157 VanDerWaalsContact CD-CE2 3.49Å; R86-F157 VanDerWaalsContact CZ-CE2 3.48Å; R86-E161 IonicContact CZ-OE1 3.53Å; R86-E161 IonicContact NH1-OE1 3.31Å; R86-E161 PolarHBondContact NH1-OE1 3.49Å; R86-E161 IonicContact NH1-OE2 3.45Å; R86-E161 IonicContact NH2-OE1 3.1Å; R86-E161 PolarHBondContact NH2-OE1 3.22Å |
| 87 | G | 96.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 10% | 0.103 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.1 | -46.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T30 K83 L84 M90 A91 | T30-G87 VanDerWaalsContact O-CA 3.25Å; T30-G87 WeakPolarHBondContact O-CA 3.33Å; K83-G87 PolarHBondContact O-N 3.21Å; L84-G87 PolarHBondContact O-N 3.36Å; L84-G87 VanDerWaalsContact O-N 3.08Å; G87-M90 PolarHBondContact O-N 3Å; G87-A91 WeakPolarHBondContact O-CB 3.43Å; G87-A91 PolarHBondContact O-N 3.4Å |
| 88 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 174.2 | -68.3 | 175.9 | 0 | 0 | 0 | 112.2 | L32 I44 N47 V48 L84 R86 M90 A91 M92 Y141 | L32-L88 HydrophobicContact CD2-CD2 3.54Å; L32-L88 HydrophobicContact CD2-CG 3.71Å; I44-L88 HydrophobicContact CG1-CD2 4.26Å; N47-L88 HydrophobicContact CB-CD1 4.18Å; V48-L88 HydrophobicContact CG2-CD1 3.69Å; L84-L88 HydrophobicContact CD2-CD1 3.91Å; L84-L88 PolarHBondContact O-N 3.4Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3.19Å; L88-M90 VanDerWaalsContact C-N 3.34Å; L88-M90 PolarHBondContact O-N 3.03Å; L88-A91 PolarHBondContact O-N 3.21Å; L88-M92 HydrophobicContact CB-CE 4.35Å; L88-M92 WeakPolarHBondContact O-CE 3.47Å; L88-M92 WeakPolarHBondContact O-CG 3.43Å; L88-M92 PolarHBondContact O-N 3.47Å; L88-Y141 HydrophobicContact CB-CD2 4.14Å; L88-Y141 HydrophobicContact CB-CE2 3.82Å; L88-Y141 HydrophobicContact CD1-CD2 3.98Å; L88-Y141 HydrophobicContact CD1-CE2 4.26Å |
| 89 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.7 | -48.4 | 176.1 | -175.2 | 55.6 | 0 | 0 | 0 | 111.4 | M85 R86 M92 M93 Y141 E161 F164 I165 | M85-L89 PolarHBondContact O-N 2.96Å; M85-L89 VanDerWaalsContact O-N 3.1Å; R86-L89 WeakPolarHBondContact O-CB 3.43Å; R86-L89 PolarHBondContact O-N 3Å; L89-M92 PolarHBondContact O-N 3.09Å; L89-M93 HydrophobicContact CD1-CG 4.19Å; L89-M93 HydrophobicContact CD1-SD 4.2Å; L89-M93 HydrophobicContact CD2-SD 4.46Å; L89-M93 HydrophobicContact CG-CG 4.33Å; L89-M93 HydrophobicContact CG-SD 3.91Å; L89-M93 WeakPolarHBondContact O-CB 3.43Å; L89-M93 VanDerWaalsContact O-CG 3.3Å; L89-M93 WeakPolarHBondContact O-CG 3.47Å; L89-M93 PolarHBondContact O-N 3.1Å; L89-Y141 WeakPolarHBondContact CB-OH 3.2Å; L89-E161 HydrophobicContact CD2-CB 4.23Å; L89-E161 HydrophobicContact CD2-CG 4.01Å; L89-F164 HydrophobicContact CD1-CD1 3.84Å; L89-F164 HydrophobicContact CD1-CE1 4.15Å; L89-I165 HydrophobicContact CD1-CD1 4.33Å; L89-I165 HydrophobicContact CD1-CG1 4.05Å; L89-I165 HydrophobicContact CD2-CD1 4.47Å |
| 90 | M | 96.4 | Very high | 96 | Very high | 74 Ų | 74 | 29.4 Ų | 29.4 | 37% | 0.365 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65 | -40.3 | -179.6 | -67.9 | -64.7 | 169.7 | 0 | 0 | 111.8 | R86 G87 L88 M92 M93 N94 E161 | R86-M90 VanDerWaalsContact NH2-CE 3.33Å; R86-M90 VanDerWaalsContact O-CG 3.3Å; R86-M90 WeakPolarHBondContact O-CG 3.3Å; R86-M90 PolarHBondContact O-N 3.04Å; G87-M90 PolarHBondContact O-N 3Å; L88-M90 VanDerWaalsContact C-N 3.34Å; L88-M90 PolarHBondContact O-N 3.03Å; M90-M92 VanDerWaalsContact C-N 3.33Å; M90-M92 PolarHBondContact O-N 3.38Å; M90-M93 PolarHBondContact O-N 2.85Å; M90-M93 HydrophobicContact SD-SD 4.49Å; M90-N94 PolarHBondContact O-N 3.47Å; M90-N94 PolarHBondContact O-ND2 3.18Å; M90-E161 WeakPolarHBondContact CE-OE1 3.4Å |
| 91 | A | 96.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.5 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G87 L88 Q95 Y116 G121 | G87-A91 WeakPolarHBondContact O-CB 3.43Å; G87-A91 PolarHBondContact O-N 3.4Å; L88-A91 PolarHBondContact O-N 3.21Å; A91-Q95 PolarHBondContact O-NE2 3.06Å; A91-Y116 HydrophobicContact CB-CD1 3.9Å; A91-Y116 HydrophobicContact CB-CD2 3.9Å; A91-Y116 HydrophobicContact CB-CE1 3.99Å; A91-Y116 HydrophobicContact CB-CE2 3.99Å; A91-Y116 HydrophobicContact CB-CG 3.85Å; A91-G121 WeakPolarHBondContact CB-O 3.43Å |
| 92 | M | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.4 | -41.4 | 175.6 | -69.8 | -176.9 | -74 | 0 | 0 | 112.3 | I44 L88 L89 M90 N94 Q95 L112 Y141 F164 L168 | I44-M92 HydrophobicContact CD1-SD 4.37Å; L88-M92 HydrophobicContact CB-CE 4.35Å; L88-M92 WeakPolarHBondContact O-CE 3.47Å; L88-M92 WeakPolarHBondContact O-CG 3.43Å; L88-M92 PolarHBondContact O-N 3.47Å; L89-M92 PolarHBondContact O-N 3.09Å; M90-M92 VanDerWaalsContact C-N 3.33Å; M90-M92 PolarHBondContact O-N 3.38Å; M92-N94 PolarHBondContact O-N 3.3Å; M92-Q95 CarbonylContact O-C 3.38Å; M92-Q95 WeakPolarHBondContact O-CA 3.33Å; M92-Q95 PolarHBondContact O-N 2.88Å; M92-L112 HydrophobicContact CG-CD1 4.41Å; M92-L112 HydrophobicContact SD-CD1 4.43Å; M92-Y141 HydrophobicContact CE-CD1 3.66Å; M92-Y141 HydrophobicContact CE-CD2 4.11Å; M92-Y141 HydrophobicContact CE-CE1 3.62Å; M92-Y141 HydrophobicContact CE-CE2 4.07Å; M92-Y141 HydrophobicContact CE-CG 3.91Å; M92-F164 VanDerWaalsContact C-CZ 3.41Å; M92-F164 HydrophobicContact CB-CE1 3.87Å; M92-F164 HydrophobicContact CB-CZ 3.93Å; M92-F164 WeakPolarHBondContact O-CZ 3.36Å; M92-L168 HydrophobicContact CE-CD1 4.39Å; M92-L168 HydrophobicContact SD-CD1 4.25Å |
| 93 | M | 96 | Very high | 95.1 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 14% | 0.138 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -32.2 | 177.4 | -77.5 | -177.7 | 74.5 | 0 | 0 | 112.7 | L89 M90 Q95 K96 E161 F164 L492 | L89-M93 HydrophobicContact CD1-CG 4.19Å; L89-M93 HydrophobicContact CD1-SD 4.2Å; L89-M93 HydrophobicContact CD2-SD 4.46Å; L89-M93 HydrophobicContact CG-CG 4.33Å; L89-M93 HydrophobicContact CG-SD 3.91Å; L89-M93 WeakPolarHBondContact O-CB 3.43Å; L89-M93 VanDerWaalsContact O-CG 3.3Å; L89-M93 WeakPolarHBondContact O-CG 3.47Å; L89-M93 PolarHBondContact O-N 3.1Å; M90-M93 PolarHBondContact O-N 2.85Å; M90-M93 HydrophobicContact SD-SD 4.49Å; M93-Q95 PolarHBondContact O-N 3.26Å; M93-Q95 VanDerWaalsContact O-N 3.16Å; M93-K96 WeakPolarHBondContact O-CB 3.37Å; M93-K96 PolarHBondContact O-N 3.19Å; M93-K96 VanDerWaalsContact O-N 3.13Å; M93-E161 HydrophobicContact CE-CG 4.16Å; M93-E161 HydrophobicContact SD-CG 3.83Å; M93-F164 HydrophobicContact CB-CD1 4.47Å; M93-F164 HydrophobicContact CB-CE1 4.34Å; M93-F164 HydrophobicContact CB-CZ 4.41Å; M93-F164 HydrophobicContact CE-CB 4.42Å; M93-F164 HydrophobicContact CG-CB 4.2Å; M93-F164 HydrophobicContact CG-CD1 3.3Å; M93-F164 HydrophobicContact CG-CD2 3.99Å; M93-F164 HydrophobicContact CG-CE1 3.53Å; M93-F164 HydrophobicContact CG-CE2 4.21Å; M93-F164 HydrophobicContact CG-CG 3.54Å; M93-F164 HydrophobicContact CG-CZ 4Å; M93-F164 HydrophobicContact SD-CD1 4.32Å; M93-F164 HydrophobicContact SD-CG 4.47Å; M93-L492 HydrophobicContact CE-CD1 4.26Å; M93-L492 HydrophobicContact CE-CD2 4.44Å |
| 94 | N | 94.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 37 Ų | 37 | 56% | 0.556 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.5 | 172.5 | -72.8 | -20.3 | 0 | 0 | 0 | 113.3 | M90 M92 | M90-N94 PolarHBondContact O-N 3.47Å; M90-N94 PolarHBondContact O-ND2 3.18Å; M92-N94 PolarHBondContact O-N 3.3Å |
| 95 | Q | 94.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 26.1 | 175.5 | -66.6 | 171.7 | 91.4 | 0 | 0 | 112.5 | A91 M92 M93 D97 K98 V99 L112 H113 Y116 | A91-Q95 PolarHBondContact O-NE2 3.06Å; M92-Q95 CarbonylContact O-C 3.38Å; M92-Q95 WeakPolarHBondContact O-CA 3.33Å; M92-Q95 PolarHBondContact O-N 2.88Å; M93-Q95 PolarHBondContact O-N 3.26Å; M93-Q95 VanDerWaalsContact O-N 3.16Å; Q95-D97 PolarHBondContact O-N 3.05Å; Q95-D97 VanDerWaalsContact O-N 3.1Å; Q95-K98 HydrophobicContact CB-CB 4.45Å; Q95-K98 HydrophobicContact CB-CD 4.34Å; Q95-K98 HydrophobicContact CG-CD 4.47Å; Q95-K98 WeakPolarHBondContact O-CB 3.39Å; Q95-K98 PolarHBondContact O-N 3.38Å; Q95-V99 PolarHBondContact O-N 3.35Å; Q95-L112 HydrophobicContact CB-CD2 3.56Å; Q95-L112 HydrophobicContact CG-CD2 4.5Å; Q95-H113 VanDerWaalsContact OE1-N 3.15Å; Q95-Y116 PolarHBondContact NE2-OH 2.75Å |
| 96 | K | 94.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -51.8 | -33.7 | 179.8 | 66.4 | -170.7 | -173 | 171.2 | 0 | 114.7 | M93 K98 V99 E100 F164 L492 | M93-K96 WeakPolarHBondContact O-CB 3.37Å; M93-K96 PolarHBondContact O-N 3.19Å; M93-K96 VanDerWaalsContact O-N 3.13Å; K96-K98 VanDerWaalsContact C-N 3.27Å; K96-K98 PolarHBondContact O-N 3.42Å; K96-V99 WeakPolarHBondContact O-CB 3.49Å; K96-V99 PolarHBondContact O-N 2.88Å; K96-E100 PolarHBondContact O-N 3.03Å; K96-F164 HydrophobicContact CB-CD2 4.3Å; K96-F164 HydrophobicContact CB-CE2 3.98Å; K96-L492 HydrophobicContact CD-CB 4.24Å; K96-L492 HydrophobicContact CD-CD2 4.06Å; K96-L492 VanDerWaalsContact CD-O 3.28Å; K96-L492 WeakPolarHBondContact CD-O 3.4Å; K96-L492 WeakPolarHBondContact CE-O 3.38Å; K96-L492 PolarHBondContact NZ-O 2.87Å |
| 97 | D | 95.1 | Very high | 92.7 | Very high | 103 Ų | 103 | 42.9 Ų | 42.9 | 55% | 0.551 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -66.4 | -32.2 | 179.4 | -58 | -40.5 | 0 | 0 | 0 | 111.7 | Q95 K101 | Q95-D97 PolarHBondContact O-N 3.05Å; Q95-D97 VanDerWaalsContact O-N 3.1Å; D97-K101 WeakPolarHBondContact O-CG 3.48Å; D97-K101 PolarHBondContact O-N 3.33Å; D97-K101 VanDerWaalsContact O-N 3.09Å |
| 98 | K | 94.8 | Very high | 92.2 | Very high | 34 Ų | 34 | 44.1 Ų | 44.1 | 15% | 0.148 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.9 | -44.4 | 173 | -68.7 | -168.9 | 168.8 | -166.6 | 0 | 111.2 | Q95 K96 E100 K101 F102 D110 S111 H113 D127 | Q95-K98 HydrophobicContact CB-CB 4.45Å; Q95-K98 HydrophobicContact CB-CD 4.34Å; Q95-K98 HydrophobicContact CG-CD 4.47Å; Q95-K98 WeakPolarHBondContact O-CB 3.39Å; Q95-K98 PolarHBondContact O-N 3.38Å; K96-K98 VanDerWaalsContact C-N 3.27Å; K96-K98 PolarHBondContact O-N 3.42Å; K98-E100 VanDerWaalsContact C-N 3.28Å; K98-E100 PolarHBondContact O-N 3.48Å; K98-K101 PolarHBondContact O-N 2.92Å; K98-F102 VanDerWaalsContact O-CB 3.29Å; K98-F102 WeakPolarHBondContact O-CB 3.48Å; K98-F102 PolarHBondContact O-N 3.14Å; K98-D110 WeakPolarHBondContact CB-O 3.48Å; K98-S111 WeakPolarHBondContact CD-O 3.31Å; K98-H113 PolarHBondContact NZ-CD2 2.7Å; K98-H113 PolarHBondContact NZ-NE2 2.86Å; K98-H113 VanDerWaalsContact NZ-NE2 3.12Å; K98-D127 VanDerWaalsContact NZ-CG 3.32Å; K98-D127 IonicContact NZ-OD1 3.39Å; K98-D127 PolarHBondContact NZ-OD1 3.09Å; K98-D127 IonicContact NZ-OD2 3.13Å; K98-D127 PolarHBondContact NZ-OD2 2.8Å |
| 99 | V | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.3 | -43.1 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | Q95 K96 K103 L112 F164 N167 L168 Y171 | Q95-V99 PolarHBondContact O-N 3.35Å; K96-V99 WeakPolarHBondContact O-CB 3.49Å; K96-V99 PolarHBondContact O-N 2.88Å; V99-K103 WeakPolarHBondContact O-CG 3.43Å; V99-K103 PolarHBondContact O-N 3.4Å; V99-L112 HydrophobicContact CG2-CD1 3.89Å; V99-L112 HydrophobicContact CG2-CD2 3.69Å; V99-L112 HydrophobicContact CG2-CG 3.89Å; V99-F164 HydrophobicContact CG2-CE2 4.01Å; V99-F164 HydrophobicContact CG2-CZ 4.14Å; V99-N167 HydrophobicContact CG1-CB 4.11Å; V99-L168 HydrophobicContact CG1-CD2 4.5Å; V99-L168 HydrophobicContact CG2-CD2 4.15Å; V99-Y171 HydrophobicContact CG1-CD2 4.4Å |
| 100 | E | 94 | Very high | 91.4 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 177.2 | -177.6 | 61.3 | -147.1 | 0 | 0 | 112.5 | K96 K98 K103 L494 S495 K498 | K96-E100 PolarHBondContact O-N 3.03Å; K98-E100 VanDerWaalsContact C-N 3.28Å; K98-E100 PolarHBondContact O-N 3.48Å; E100-K103 IonicContact OE1-NZ 3.01Å; E100-K103 WeakPolarHBondContact OE2-CE 3.43Å; E100-K103 IonicContact OE2-NZ 3.18Å; E100-K103 PolarHBondContact OE2-NZ 3.11Å; E100-L494 HydrophobicContact CB-CD2 4.45Å; E100-S495 WeakPolarHBondContact OE1-CB 3.32Å; E100-S495 PolarHBondContact OE1-OG 3.28Å; E100-S495 VanDerWaalsContact OE1-OG 3.12Å; E100-S495 PolarHBondContact OE2-N 3.16Å; E100-K498 WeakPolarHBondContact OE1-CE 3.21Å; E100-K498 IonicContact OE1-NZ 2.88Å; E100-K498 PolarHBondContact OE1-NZ 3.34Å; E100-K498 VanDerWaalsContact OE1-NZ 3.12Å |
| 101 | K | 92.2 | Very high | 91.3 | Very high | 121 Ų | 121 | 49.1 Ų | 49.1 | 53% | 0.526 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.6 | -45.4 | 177.3 | -72.7 | 176.4 | -178.2 | -178.4 | 0 | 112.4 | D97 K98 K103 M104 T105 D110 | D97-K101 WeakPolarHBondContact O-CG 3.48Å; D97-K101 PolarHBondContact O-N 3.33Å; D97-K101 VanDerWaalsContact O-N 3.09Å; K98-K101 PolarHBondContact O-N 2.92Å; K101-K103 VanDerWaalsContact C-N 3.25Å; K101-K103 PolarHBondContact O-N 3.33Å; K101-M104 PolarHBondContact O-N 3.42Å; K101-T105 PolarHBondContact O-N 3.3Å; K101-T105 PolarHBondContact O-OG1 2.81Å; K101-D110 HydrophobicContact CB-CB 4.16Å |
| 102 | F | 91.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.7 | -32.5 | -176.2 | -171.5 | -95.7 | 0 | 0 | 0 | 113 | K98 M104 T105 Q106 S107 D110 L133 Y171 I178 | K98-F102 VanDerWaalsContact O-CB 3.29Å; K98-F102 WeakPolarHBondContact O-CB 3.48Å; K98-F102 PolarHBondContact O-N 3.14Å; F102-M104 PolarHBondContact O-N 2.93Å; F102-T105 PolarHBondContact O-N 2.87Å; F102-Q106 VanDerWaalsContact CE2-C 3.47Å; F102-Q106 WeakPolarHBondContact O-CA 3.39Å; F102-Q106 PolarHBondContact O-N 2.83Å; F102-S107 WeakPolarHBondContact CD2-O 3.27Å; F102-S107 WeakPolarHBondContact CE2-O 3.49Å; F102-D110 HydrophobicContact CB-CB 4.43Å; F102-D110 HydrophobicContact CD2-CB 4.43Å; F102-L133 HydrophobicContact CE2-CD1 3.73Å; F102-L133 HydrophobicContact CE2-CD2 4.31Å; F102-L133 HydrophobicContact CZ-CD1 3.56Å; F102-L133 HydrophobicContact CZ-CD2 4.44Å; F102-Y171 HydrophobicContact CB-CD2 4.02Å; F102-Y171 HydrophobicContact CB-CE2 3.79Å; F102-Y171 AromaticContact CD1-CD2 3.28Å; F102-Y171 HydrophobicContact CD1-CD2 3.28Å; F102-Y171 HydrophobicContact CD1-CE1 4.47Å; F102-Y171 AromaticContact CD1-CE2 3.2Å; F102-Y171 HydrophobicContact CD1-CE2 3.2Å; F102-Y171 AromaticContact CD1-CG 3.99Å; F102-Y171 HydrophobicContact CD1-CG 3.99Å; F102-Y171 AromaticContact CD1-CZ 3.84Å; F102-Y171 HydrophobicContact CD2-CE2 4.1Å; F102-Y171 HydrophobicContact CE1-CD1 4.44Å; F102-Y171 AromaticContact CE1-CD2 3.94Å; F102-Y171 HydrophobicContact CE1-CD2 3.94Å; F102-Y171 HydrophobicContact CE1-CE1 4.22Å; F102-Y171 AromaticContact CE1-CE2 3.72Å; F102-Y171 HydrophobicContact CE1-CE2 3.72Å; F102-Y171 HydrophobicContact CE1-CG 4.29Å; F102-Y171 AromaticContact CE1-CZ 3.85Å; F102-Y171 AromaticContact CG-CD2 3.83Å; F102-Y171 HydrophobicContact CG-CD2 3.83Å; F102-Y171 AromaticContact CG-CE2 3.41Å; F102-Y171 HydrophobicContact CG-CE2 3.41Å; F102-Y171 VanDerWaalsContact CG-CE2 3.41Å; F102-Y171 HydrophobicContact CZ-CE2 4.35Å; F102-I178 HydrophobicContact CE1-CD1 4.05Å; F102-I178 HydrophobicContact CZ-CD1 4.16Å; F102-I178 HydrophobicContact CZ-CG2 4.19Å |
| 103 | K | 87.1 | Confident | 91 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 10% | 0.096 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.5 | -23.4 | 173.7 | -75.7 | -175.3 | -62 | 179.9 | 0 | 113.6 | V99 E100 K101 N167 F170 G496 K498 | V99-K103 WeakPolarHBondContact O-CG 3.43Å; V99-K103 PolarHBondContact O-N 3.4Å; E100-K103 IonicContact OE1-NZ 3.01Å; E100-K103 WeakPolarHBondContact OE2-CE 3.43Å; E100-K103 IonicContact OE2-NZ 3.18Å; E100-K103 PolarHBondContact OE2-NZ 3.11Å; K101-K103 VanDerWaalsContact C-N 3.25Å; K101-K103 PolarHBondContact O-N 3.33Å; K103-N167 PolarHBondContact NZ-OD1 3.39Å; K103-F170 HydrophobicContact CD-CB 3.99Å; K103-F170 HydrophobicContact CD-CD2 4.4Å; K103-F170 HydrophobicContact CG-CB 4.37Å; K103-G496 PolarHBondContact NZ-O 2.8Å; K103-K498 HydrophobicContact CB-CG 4.34Å |
| 104 | M | 82.2 | Confident | 90.8 | Very high | 123 Ų | 123 | 48.1 Ų | 48.1 | 61% | 0.606 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -105.9 | -44.9 | 178.6 | -57.7 | -64.5 | -87.9 | 0 | 0 | 112 | K101 F102 K498 | K101-M104 PolarHBondContact O-N 3.42Å; F102-M104 PolarHBondContact O-N 2.93Å; M104-K498 HydrophobicContact SD-CB 3.88Å; M104-K498 HydrophobicContact SD-CD 3.75Å; M104-K498 HydrophobicContact SD-CG 3.6Å; M104-K498 VanDerWaalsContact SD-CG 3.6Å |
| 105 | T | 85.1 | Confident | 90.6 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 44% | 0.436 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -84.2 | -31.2 | -171.4 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | K101 F102 S107 D110 | K101-T105 PolarHBondContact O-N 3.3Å; K101-T105 PolarHBondContact O-OG1 2.81Å; F102-T105 PolarHBondContact O-N 2.87Å; T105-S107 PolarHBondContact O-N 2.85Å; T105-D110 WeakPolarHBondContact CB-OD2 3.05Å; T105-D110 VanDerWaalsContact CG2-OD2 3.31Å; T105-D110 WeakPolarHBondContact CG2-OD2 3.47Å; T105-D110 WeakPolarHBondContact OG1-CB 3.36Å; T105-D110 PolarHBondContact OG1-OD2 3.28Å |
| 106 | Q | 85.5 | Confident | 90.6 | Very high | 72 Ų | 72 | 43 Ų | 43 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | trans | 49 | 22.6 | -172.5 | -57.6 | -178.2 | -4.2 | 0 | 0 | 113.5 | F102 I178 | F102-Q106 VanDerWaalsContact CE2-C 3.47Å; F102-Q106 WeakPolarHBondContact O-CA 3.39Å; F102-Q106 PolarHBondContact O-N 2.83Å; Q106-I178 HydrophobicContact CB-CD1 4.18Å; Q106-I178 HydrophobicContact CB-CG1 4.25Å; Q106-I178 HydrophobicContact CG-CD1 3.99Å; Q106-I178 HydrophobicContact CG-CG1 4.39Å | ||
| 107 | S | 84.8 | Confident | 90.6 | Very high | 30 Ų | 30 | 41 Ų | 41 | 21% | 0.21 | 20% | 0.203 | C | C | . | . | trans | -86.9 | 142.9 | -173.8 | -176 | 0 | 0 | 0 | 0 | 110.8 | F102 T105 Y109 D110 S111 | F102-S107 WeakPolarHBondContact CD2-O 3.27Å; F102-S107 WeakPolarHBondContact CE2-O 3.49Å; T105-S107 PolarHBondContact O-N 2.85Å; S107-Y109 PolarHBondContact O-N 2.81Å; S107-Y109 VanDerWaalsContact O-N 3.13Å; S107-Y109 VanDerWaalsContact OG-CD2 3.31Å; S107-Y109 WeakPolarHBondContact OG-CD2 3.5Å; S107-D110 PolarHBondContact O-N 2.82Å; S107-D110 VanDerWaalsContact O-N 3.11Å; S107-S111 PolarHBondContact O-N 3.18Å | ||
| 108 | P | 86.4 | Confident | 90.4 | Very high | 37 Ų | 37 | 36.1 Ų | 36.1 | 24% | 0.24 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -53.1 | -31.9 | 172.1 | -26.5 | 34.6 | 0 | 0 | 0 | 113.7 | D110 S111 L133 Y181 P195 | P108-D110 PolarHBondContact O-N 3.33Å; P108-S111 VanDerWaalsContact O-CB 3.3Å; P108-S111 WeakPolarHBondContact O-CB 3.21Å; P108-S111 PolarHBondContact O-N 3.42Å; P108-S111 PolarHBondContact O-OG 2.8Å; P108-L133 HydrophobicContact CB-CB 4.37Å; P108-L133 HydrophobicContact CB-CD2 4.29Å; P108-L133 HydrophobicContact CG-CD2 4.02Å; P108-Y181 HydrophobicContact CB-CE2 4.42Å; P108-P195 HydrophobicContact CG-CG 4.35Å |
| 109 | Y | 86.9 | Confident | 90.3 | Very high | 142 Ų | 142 | 40.8 Ų | 40.8 | 56% | 0.557 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -70.2 | -29.9 | -179 | -56.9 | -64 | 0 | 0 | 0 | 113.7 | S107 S111 N128 | S107-Y109 PolarHBondContact O-N 2.81Å; S107-Y109 VanDerWaalsContact O-N 3.13Å; S107-Y109 VanDerWaalsContact OG-CD2 3.31Å; S107-Y109 WeakPolarHBondContact OG-CD2 3.5Å; Y109-S111 VanDerWaalsContact C-N 3.34Å; Y109-N128 WeakPolarHBondContact CD1-OD1 3.39Å; Y109-N128 VanDerWaalsContact CE1-OD1 3.23Å; Y109-N128 WeakPolarHBondContact CE1-OD1 3.49Å |
| 110 | D | 90.8 | Very high | 90.1 | Very high | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -93 | 3.2 | 178.1 | -64.6 | -56.1 | 0 | 0 | 0 | 112.2 | K98 K101 F102 T105 S107 P108 | K98-D110 WeakPolarHBondContact CB-O 3.48Å; K101-D110 HydrophobicContact CB-CB 4.16Å; F102-D110 HydrophobicContact CB-CB 4.43Å; F102-D110 HydrophobicContact CD2-CB 4.43Å; T105-D110 WeakPolarHBondContact CB-OD2 3.05Å; T105-D110 VanDerWaalsContact CG2-OD2 3.31Å; T105-D110 WeakPolarHBondContact CG2-OD2 3.47Å; T105-D110 WeakPolarHBondContact OG1-CB 3.36Å; T105-D110 PolarHBondContact OG1-OD2 3.28Å; S107-D110 PolarHBondContact O-N 2.82Å; S107-D110 VanDerWaalsContact O-N 3.11Å; P108-D110 PolarHBondContact O-N 3.33Å |
| 111 | S | 93.3 | Very high | 90 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -72.7 | 154.8 | -177.4 | 72.9 | 0 | 0 | 0 | 0 | 113 | K98 S107 P108 Y109 L133 Y171 | K98-S111 WeakPolarHBondContact CD-O 3.31Å; S107-S111 PolarHBondContact O-N 3.18Å; P108-S111 VanDerWaalsContact O-CB 3.3Å; P108-S111 WeakPolarHBondContact O-CB 3.21Å; P108-S111 PolarHBondContact O-N 3.42Å; P108-S111 PolarHBondContact O-OG 2.8Å; Y109-S111 VanDerWaalsContact C-N 3.34Å; S111-L133 PolarHBondContact OG-N 3.41Å; S111-Y171 WeakPolarHBondContact CA-OH 3.48Å; S111-Y171 WeakPolarHBondContact CB-OH 3.44Å |
| 112 | L | 94.6 | Very high | 90 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 141 | 170.2 | -76.4 | 175.9 | 0 | 0 | 0 | 110.5 | M92 Q95 V99 V138 L168 Y171 | M92-L112 HydrophobicContact CG-CD1 4.41Å; M92-L112 HydrophobicContact SD-CD1 4.43Å; Q95-L112 HydrophobicContact CB-CD2 3.56Å; Q95-L112 HydrophobicContact CG-CD2 4.5Å; V99-L112 HydrophobicContact CG2-CD1 3.89Å; V99-L112 HydrophobicContact CG2-CD2 3.69Å; V99-L112 HydrophobicContact CG2-CG 3.89Å; L112-V138 HydrophobicContact CD1-CG2 4.39Å; L112-L168 HydrophobicContact CD1-CD2 3.67Å; L112-Y171 HydrophobicContact CD1-CE2 4.43Å; L112-Y171 HydrophobicContact CG-CE2 4.14Å; L112-Y171 PolarHBondContact N-OH 3.13Å; L112-Y171 VanDerWaalsContact N-OH 3.07Å |
| 113 | H | 93 | Very high | 90 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -64 | 138.8 | 170.1 | -71.6 | 178.1 | 0 | 0 | 0 | 111.9 | Q95 K98 Y116 P123 V125 D127 H132 | Q95-H113 VanDerWaalsContact OE1-N 3.15Å; K98-H113 PolarHBondContact NZ-CD2 2.7Å; K98-H113 PolarHBondContact NZ-NE2 2.86Å; K98-H113 VanDerWaalsContact NZ-NE2 3.12Å; H113-Y116 HydrophobicContact CB-CE1 4.1Å; H113-Y116 VanDerWaalsContact O-CZ 3.25Å; H113-Y116 PolarHBondContact O-OH 3.46Å; H113-P123 WeakPolarHBondContact ND1-CB 3.24Å; H113-P123 WeakPolarHBondContact ND1-CG 3.37Å; H113-V125 PolarHBondContact CE1-O 3.29Å; H113-D127 IonicContact CD2-OD1 2.68Å; H113-D127 IonicContact CE1-OD1 2.76Å; H113-D127 PolarHBondContact CE1-OD1 3.18Å; H113-D127 IonicContact NE2-OD1 3.2Å; H113-D127 PolarHBondContact NE2-OD1 2.78Å; H113-H132 AromaticContact CD2-CD2 3.63Å; H113-H132 AromaticContact CD2-CE1 3.3Å; H113-H132 PolarHBondContact CD2-CE1 3.42Å; H113-H132 AromaticContact CD2-CG 3.48Å; H113-H132 VanDerWaalsContact CD2-CG 3.48Å; H113-H132 AromaticContact CD2-ND1 3.33Å; H113-H132 PolarHBondContact CD2-ND1 3.37Å; H113-H132 VanDerWaalsContact CD2-ND1 3.33Å; H113-H132 AromaticContact CD2-NE2 3.52Å; H113-H132 AromaticContact CE1-CE1 3.98Å; H113-H132 AromaticContact CG-CE1 3.6Å; H113-H132 AromaticContact CG-ND1 3.63Å; H113-H132 AromaticContact NE2-CD2 3.81Å; H113-H132 AromaticContact NE2-CE1 3.56Å; H113-H132 AromaticContact NE2-NE2 3.44Å; H113-H132 PolarHBondContact NE2-NE2 3.25Å |
| 114 | A | 90.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -86.6 | -15.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I44 Q134 | I44-A114 WeakPolarHBondContact CG1-O 3.48Å; I44-A114 PolarHBondContact N-O 3.31Å; A114-Q134 HydrophobicContact CB-CB 4.16Å; A114-Q134 HydrophobicContact CB-CG 4.07Å |
| 115 | K | 91.8 | Very high | 90.5 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.039 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.5 | -177.8 | 63.9 | -177.7 | 179.9 | -172.4 | 0 | 112 | A42 W43 V124 W130 | A42-K115 WeakPolarHBondContact O-CA 3.33Å; W43-K115 HydrophobicContact CD2-CB 4.01Å; W43-K115 HydrophobicContact CG-CB 4.08Å; W43-K115 HydrophobicContact CH2-CD 4.45Å; W43-K115 HydrophobicContact CZ2-CD 3.79Å; K115-V124 HydrophobicContact CD-CG2 4.13Å; K115-V124 HydrophobicContact CG-CG2 3.8Å; K115-W130 VanDerWaalsContact NZ-CE3 3.26Å |
| 116 | Y | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 166.6 | -175.4 | -60.2 | -68.5 | 0 | 0 | 0 | 111.5 | H41 A42 I44 A91 Q95 H113 S118 L122 | H41-Y116 CarbonylContact C-O 3.52Å; H41-Y116 WeakPolarHBondContact CA-O 3.44Å; A42-Y116 PolarHBondContact N-O 3.06Å; A42-Y116 PolarHBondContact O-N 3.22Å; I44-Y116 HydrophobicContact CD1-CE2 3.82Å; I44-Y116 HydrophobicContact CG1-CD2 4.26Å; I44-Y116 HydrophobicContact CG1-CE2 3.65Å; A91-Y116 HydrophobicContact CB-CD1 3.9Å; A91-Y116 HydrophobicContact CB-CD2 3.9Å; A91-Y116 HydrophobicContact CB-CE1 3.99Å; A91-Y116 HydrophobicContact CB-CE2 3.99Å; A91-Y116 HydrophobicContact CB-CG 3.85Å; Q95-Y116 PolarHBondContact NE2-OH 2.75Å; H113-Y116 HydrophobicContact CB-CE1 4.1Å; H113-Y116 VanDerWaalsContact O-CZ 3.25Å; H113-Y116 PolarHBondContact O-OH 3.46Å; Y116-S118 PolarHBondContact O-N 3.4Å; Y116-L122 CarbonylContact C-O 3.57Å; Y116-L122 WeakPolarHBondContact CA-O 3.42Å |
| 117 | S | 93.9 | Very high | 90.4 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 125.3 | 165.7 | 179.4 | 0 | 0 | 0 | 0 | 109 | K119 N120 G121 L122 | S117-K119 PolarHBondContact O-N 3.19Å; S117-K119 VanDerWaalsContact O-N 3.15Å; S117-K119 PolarHBondContact OG-N 3.37Å; S117-N120 WeakPolarHBondContact CB-OD1 3.28Å; S117-N120 PolarHBondContact O-N 2.94Å; S117-N120 PolarHBondContact OG-OD1 3.06Å; S117-G121 WeakPolarHBondContact O-CA 3.45Å; S117-G121 PolarHBondContact O-N 2.93Å; S117-L122 PolarHBondContact N-O 2.93Å |
| 118 | S | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -28.6 | 175.9 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | E27 T30 S40 Y116 | E27-S118 WeakPolarHBondContact CG-O 3.23Å; E27-S118 PolarHBondContact OE1-OG 3.2Å; T30-S118 WeakPolarHBondContact CB-O 3.5Å; T30-S118 WeakPolarHBondContact CG2-O 3.34Å; T30-S118 PolarHBondContact OG1-O 2.71Å; S40-S118 WeakPolarHBondContact O-CB 3.45Å; S40-S118 PolarHBondContact O-N 3.09Å; S40-S118 PolarHBondContact O-OG 3.2Å; Y116-S118 PolarHBondContact O-N 3.4Å |
| 119 | K | 91.3 | Very high | 89.9 | Confident | 132 Ų | 132 | 51.3 Ų | 51.3 | 57% | 0.574 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -35.6 | -173.8 | -65.4 | -178.3 | 178.9 | 177.1 | 0 | 114.3 | T30 S117 | T30-K119 WeakPolarHBondContact CG2-O 3.09Å; S117-K119 PolarHBondContact O-N 3.19Å; S117-K119 VanDerWaalsContact O-N 3.15Å; S117-K119 PolarHBondContact OG-N 3.37Å |
| 120 | N | 91.3 | Very high | 89.6 | Confident | 90 Ų | 90 | 48 Ų | 48 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | -5 | -173.1 | 65.7 | 18.7 | 0 | 0 | 0 | 114.8 | S117 L122 | S117-N120 WeakPolarHBondContact CB-OD1 3.28Å; S117-N120 PolarHBondContact O-N 2.94Å; S117-N120 PolarHBondContact OG-OD1 3.06Å; N120-L122 VanDerWaalsContact C-N 3.26Å; N120-L122 HydrophobicContact CB-CG 4.47Å; N120-L122 PolarHBondContact O-N 3.45Å; N120-L122 WeakPolarHBondContact OD1-CB 3.48Å; N120-L122 PolarHBondContact OD1-N 3.35Å |
| 121 | G | 90.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | trans | 71.6 | 14.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A91 S117 | A91-G121 WeakPolarHBondContact CB-O 3.43Å; S117-G121 WeakPolarHBondContact O-CA 3.45Å; S117-G121 PolarHBondContact O-N 2.93Å | ||
| 122 | L | 93.3 | Very high | 88.8 | Confident | 84 Ų | 84 | 46.9 Ų | 46.9 | 44% | 0.44 | 25% | 0.245 | S | C | . | . | trans | -88.8 | 157.4 | 177.8 | -61.6 | 178.2 | 0 | 0 | 0 | 111.9 | Y116 S117 N120 | Y116-L122 CarbonylContact C-O 3.57Å; Y116-L122 WeakPolarHBondContact CA-O 3.42Å; S117-L122 PolarHBondContact N-O 2.93Å; N120-L122 VanDerWaalsContact C-N 3.26Å; N120-L122 HydrophobicContact CB-CG 4.47Å; N120-L122 PolarHBondContact O-N 3.45Å; N120-L122 WeakPolarHBondContact OD1-CB 3.48Å; N120-L122 PolarHBondContact OD1-N 3.35Å | ||
| 123 | P | 91.4 | Very high | 88.7 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -42.6 | 138.6 | 162.5 | -37.1 | 42.6 | 0 | 0 | 0 | 114 | H113 | H113-P123 WeakPolarHBondContact ND1-CB 3.24Å; H113-P123 WeakPolarHBondContact ND1-CG 3.37Å |
| 124 | V | 90.8 | Very high | 88.8 | Confident | 43 Ų | 43 | 46.8 Ų | 46.8 | 26% | 0.261 | 25% | 0.245 | S | C | . | . | trans | -113.1 | -10.5 | 179.9 | -71 | 0 | 0 | 0 | 0 | 114.3 | K115 | K115-V124 HydrophobicContact CD-CG2 4.13Å; K115-V124 HydrophobicContact CG-CG2 3.8Å | ||
| 125 | V | 87.3 | Confident | 89 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 17% | 0.17 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -143.7 | 160 | 177.8 | -61.4 | 0 | 0 | 0 | 0 | 108.8 | H113 E129 W130 H132 | H113-V125 PolarHBondContact CE1-O 3.29Å; V125-E129 HydrophobicContact CB-CB 4.45Å; V125-W130 HydrophobicContact CG2-CB 3.84Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.41Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.4Å |
| 126 | D | 85.4 | Confident | 89.2 | Confident | 113 Ų | 113 | 46.5 Ų | 46.5 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | trans | -74 | 167.3 | 178.2 | -71.6 | -29 | 0 | 0 | 0 | 112 | N128 E129 H132 | D126-N128 PolarHBondContact O-N 3.44Å; D126-E129 HydrophobicContact CB-CG 4.04Å; D126-E129 PolarHBondContact N-OE2 2.89Å; D126-E129 VanDerWaalsContact N-OE2 3.17Å; D126-E129 PolarHBondContact O-N 3.44Å; D126-H132 PolarHBondContact O-NE2 2.87Å | ||
| 127 | D | 84.1 | Confident | 89.3 | Confident | 63 Ų | 63 | 46.5 Ų | 46.5 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.3 | -174.3 | -68.1 | -15.3 | 0 | 0 | 0 | 113.5 | K98 H113 | K98-D127 VanDerWaalsContact NZ-CG 3.32Å; K98-D127 IonicContact NZ-OD1 3.39Å; K98-D127 PolarHBondContact NZ-OD1 3.09Å; K98-D127 IonicContact NZ-OD2 3.13Å; K98-D127 PolarHBondContact NZ-OD2 2.8Å; H113-D127 IonicContact CD2-OD1 2.68Å; H113-D127 IonicContact CE1-OD1 2.76Å; H113-D127 PolarHBondContact CE1-OD1 3.18Å; H113-D127 IonicContact NE2-OD1 3.2Å; H113-D127 PolarHBondContact NE2-OD1 2.78Å |
| 128 | N | 80.9 | Confident | 89.5 | Confident | 129 Ų | 129 | 46 Ų | 46 | 69% | 0.69 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -8.2 | -175.1 | -60.2 | -13.2 | 0 | 0 | 0 | 113.6 | Y109 D126 | Y109-N128 WeakPolarHBondContact CD1-OD1 3.39Å; Y109-N128 VanDerWaalsContact CE1-OD1 3.23Å; Y109-N128 WeakPolarHBondContact CE1-OD1 3.49Å; D126-N128 PolarHBondContact O-N 3.44Å |
| 129 | E | 78.6 | Confident | 89.7 | Confident | 119 Ų | 119 | 46 Ų | 46 | 56% | 0.556 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -91.1 | -12.6 | -170.1 | -66.7 | -174.2 | 142.2 | 0 | 0 | 113.4 | V125 D126 | V125-E129 HydrophobicContact CB-CB 4.45Å; D126-E129 HydrophobicContact CB-CG 4.04Å; D126-E129 PolarHBondContact N-OE2 2.89Å; D126-E129 VanDerWaalsContact N-OE2 3.17Å; D126-E129 PolarHBondContact O-N 3.44Å |
| 130 | W | 81.5 | Confident | 90.1 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 27% | 0.269 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -148.8 | 150.2 | -171.7 | -168.1 | -99.5 | 0 | 0 | 0 | 113 | W43 K115 V125 H132 E185 | W43-W130 HydrophobicContact CZ2-CZ2 4.31Å; K115-W130 VanDerWaalsContact NZ-CE3 3.26Å; V125-W130 HydrophobicContact CG2-CB 3.84Å; W130-H132 AromaticContact CD1-ND1 3.94Å; W130-H132 PolarHBondContact O-CD2 2.77Å; W130-H132 PolarHBondContact O-N 3.45Å; W130-E185 HydrophobicContact CZ2-CB 4.5Å; W130-E185 VanDerWaalsContact CZ2-OE2 3.28Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.34Å |
| 131 | G | 80.7 | Confident | 90.4 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | trans | -71.2 | 73.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q134 Y181 | G131-Q134 PolarHBondContact O-NE2 3.48Å; G131-Y181 VanDerWaalsContact C-CD2 3.43Å; G131-Y181 VanDerWaalsContact CA-CE2 3.41Å | ||
| 132 | H | 86.4 | Confident | 90.7 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | trans | -72.6 | -35 | -175.1 | -69.7 | -68 | 0 | 0 | 0 | 113.8 | H113 V125 D126 W130 Q134 | H113-H132 AromaticContact CD2-CD2 3.63Å; H113-H132 AromaticContact CD2-CE1 3.3Å; H113-H132 PolarHBondContact CD2-CE1 3.42Å; H113-H132 AromaticContact CD2-CG 3.48Å; H113-H132 VanDerWaalsContact CD2-CG 3.48Å; H113-H132 AromaticContact CD2-ND1 3.33Å; H113-H132 PolarHBondContact CD2-ND1 3.37Å; H113-H132 VanDerWaalsContact CD2-ND1 3.33Å; H113-H132 AromaticContact CD2-NE2 3.52Å; H113-H132 AromaticContact CE1-CE1 3.98Å; H113-H132 AromaticContact CG-CE1 3.6Å; H113-H132 AromaticContact CG-ND1 3.63Å; H113-H132 AromaticContact NE2-CD2 3.81Å; H113-H132 AromaticContact NE2-CE1 3.56Å; H113-H132 AromaticContact NE2-NE2 3.44Å; H113-H132 PolarHBondContact NE2-NE2 3.25Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.41Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.4Å; D126-H132 PolarHBondContact O-NE2 2.87Å; W130-H132 AromaticContact CD1-ND1 3.94Å; W130-H132 PolarHBondContact O-CD2 2.77Å; W130-H132 PolarHBondContact O-N 3.45Å; H132-Q134 VanDerWaalsContact C-N 3.32Å; H132-Q134 PolarHBondContact O-N 3.26Å | ||
| 133 | L | 92.9 | Very high | 91 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -67.3 | 92.6 | 179.7 | -178 | 56.6 | 0 | 0 | 0 | 109.6 | F102 P108 S111 I135 I178 P179 D180 Y181 | F102-L133 HydrophobicContact CE2-CD1 3.73Å; F102-L133 HydrophobicContact CE2-CD2 4.31Å; F102-L133 HydrophobicContact CZ-CD1 3.56Å; F102-L133 HydrophobicContact CZ-CD2 4.44Å; P108-L133 HydrophobicContact CB-CB 4.37Å; P108-L133 HydrophobicContact CB-CD2 4.29Å; P108-L133 HydrophobicContact CG-CD2 4.02Å; S111-L133 PolarHBondContact OG-N 3.41Å; L133-I135 HydrophobicContact CD1-CG1 4.1Å; L133-I178 HydrophobicContact CD2-CG2 4.02Å; L133-P179 WeakPolarHBondContact CD2-O 3.3Å; L133-D180 HydrophobicContact CG-CB 4Å; L133-D180 WeakPolarHBondContact O-CB 3.11Å; L133-Y181 HydrophobicContact CB-CD2 4.13Å; L133-Y181 HydrophobicContact CB-CE2 4.35Å; L133-Y181 WeakPolarHBondContact O-CD2 3.43Å; L133-Y181 PolarHBondContact O-N 3.41Å | ||
| 134 | Q | 94.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | trans | -127.6 | 91.3 | 179.4 | -67.9 | -177.1 | 26.1 | 0 | 0 | 108.2 | A114 G131 H132 D136 A137 E185 | A114-Q134 HydrophobicContact CB-CB 4.16Å; A114-Q134 HydrophobicContact CB-CG 4.07Å; G131-Q134 PolarHBondContact O-NE2 3.48Å; H132-Q134 VanDerWaalsContact C-N 3.32Å; H132-Q134 PolarHBondContact O-N 3.26Å; Q134-D136 VanDerWaalsContact C-N 3.27Å; Q134-D136 PolarHBondContact O-N 3.09Å; Q134-A137 HydrophobicContact CB-CB 4.1Å; Q134-A137 PolarHBondContact O-N 2.79Å; Q134-E185 PolarHBondContact NE2-OE1 3.23Å | ||
| 135 | I | 95.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.2 | -33.4 | -175.9 | -65.8 | 176.1 | 0 | 0 | 0 | 110.1 | L133 A137 S139 I172 A175 I178 D180 A205 | L133-I135 HydrophobicContact CD1-CG1 4.1Å; I135-A137 VanDerWaalsContact C-N 3.29Å; I135-A137 PolarHBondContact O-N 2.93Å; I135-S139 WeakPolarHBondContact O-CB 3.5Å; I135-S139 PolarHBondContact O-N 3.38Å; I135-S139 PolarHBondContact O-OG 2.88Å; I135-I172 HydrophobicContact CG2-CG2 4.3Å; I135-A175 HydrophobicContact CD1-CB 4.43Å; I135-A175 HydrophobicContact CG2-CB 3.75Å; I135-I178 HydrophobicContact CD1-CB 3.84Å; I135-I178 HydrophobicContact CD1-CG2 3.77Å; I135-D180 HydrophobicContact CD1-CB 4.17Å; I135-D180 HydrophobicContact CG1-CB 4.12Å; I135-D180 PolarHBondContact N-OD2 3.09Å; I135-A205 HydrophobicContact CG2-CB 4.14Å |
| 136 | D | 96.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.027 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.7 | -41.8 | 175.4 | 71.1 | -55.9 | 0 | 0 | 0 | 112.1 | R45 Q134 S139 L140 M204 | R45-D136 IonicContact CZ-OD2 3.85Å; R45-D136 IonicContact NH1-OD1 3.65Å; R45-D136 IonicContact NH1-OD2 2.83Å; R45-D136 PolarHBondContact NH1-OD2 3.04Å; Q134-D136 VanDerWaalsContact C-N 3.27Å; Q134-D136 PolarHBondContact O-N 3.09Å; D136-S139 PolarHBondContact O-N 3.47Å; D136-L140 VanDerWaalsContact O-CB 3.24Å; D136-L140 WeakPolarHBondContact O-CB 3.21Å; D136-L140 PolarHBondContact O-N 3.35Å; D136-M204 WeakPolarHBondContact O-CG 3.22Å |
| 137 | A | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68 | -46.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I44 R45 Q134 I135 S139 L140 Y141 | I44-A137 HydrophobicContact CB-CB 4.22Å; I44-A137 HydrophobicContact CG2-CB 4.27Å; I44-A137 WeakPolarHBondContact CG2-O 3.47Å; R45-A137 HydrophobicContact CB-CB 4.34Å; Q134-A137 HydrophobicContact CB-CB 4.1Å; Q134-A137 PolarHBondContact O-N 2.79Å; I135-A137 VanDerWaalsContact C-N 3.29Å; I135-A137 PolarHBondContact O-N 2.93Å; A137-S139 VanDerWaalsContact C-N 3.34Å; A137-L140 PolarHBondContact O-N 2.85Å; A137-Y141 PolarHBondContact O-N 3.18Å; A137-Y141 VanDerWaalsContact O-N 3.08Å |
| 138 | V | 97.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.024 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.1 | -179 | 0 | 0 | 0 | 0 | 110.4 | L112 Y141 L142 L168 Y171 I172 | L112-V138 HydrophobicContact CD1-CG2 4.39Å; V138-Y141 WeakPolarHBondContact O-CB 3.37Å; V138-Y141 PolarHBondContact O-N 2.71Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 2.97Å; V138-L168 HydrophobicContact CG1-CD2 4.43Å; V138-Y171 HydrophobicContact CG1-CD1 4.43Å; V138-Y171 HydrophobicContact CG2-CE1 4.3Å; V138-I172 HydrophobicContact CB-CG2 4.35Å; V138-I172 HydrophobicContact CG1-CG2 4.07Å |
| 139 | S | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | I135 D136 A137 Y141 L142 L143 A205 A208 | I135-S139 WeakPolarHBondContact O-CB 3.5Å; I135-S139 PolarHBondContact O-N 3.38Å; I135-S139 PolarHBondContact O-OG 2.88Å; D136-S139 PolarHBondContact O-N 3.47Å; A137-S139 VanDerWaalsContact C-N 3.34Å; S139-Y141 VanDerWaalsContact C-N 3.32Å; S139-Y141 PolarHBondContact O-N 3.11Å; S139-L142 PolarHBondContact O-N 3.5Å; S139-L143 WeakPolarHBondContact O-CB 3.37Å; S139-L143 PolarHBondContact O-N 3.08Å; S139-A205 VanDerWaalsContact OG-CA 3.28Å; S139-A205 WeakPolarHBondContact OG-CA 3.48Å; S139-A205 WeakPolarHBondContact OG-CB 3.01Å; S139-A208 VanDerWaalsContact O-CB 3.29Å; S139-A208 WeakPolarHBondContact O-CB 3.46Å |
| 140 | L | 98 | Very high | 94.5 | Very high | 2 Ų | 2 | 7.6 Ų | 7.6 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 175.1 | 177.3 | 68.1 | 0 | 0 | 0 | 111.1 | R45 V48 Y49 D136 A137 L143 I144 M204 P266 | R45-L140 HydrophobicContact CG-CD2 4.1Å; V48-L140 HydrophobicContact CB-CD2 4.16Å; V48-L140 HydrophobicContact CB-CG 4.38Å; V48-L140 HydrophobicContact CG1-CD1 4.48Å; V48-L140 HydrophobicContact CG1-CD2 4.05Å; V48-L140 HydrophobicContact CG1-CG 3.82Å; Y49-L140 HydrophobicContact CD2-CD2 3.56Å; Y49-L140 HydrophobicContact CE1-CD1 4.33Å; Y49-L140 HydrophobicContact CE1-CD2 4.44Å; Y49-L140 HydrophobicContact CE2-CD1 4.35Å; Y49-L140 HydrophobicContact CE2-CD2 3.23Å; Y49-L140 HydrophobicContact CE2-CG 4.42Å; Y49-L140 HydrophobicContact CG-CD2 4.3Å; D136-L140 VanDerWaalsContact O-CB 3.24Å; D136-L140 WeakPolarHBondContact O-CB 3.21Å; D136-L140 PolarHBondContact O-N 3.35Å; A137-L140 PolarHBondContact O-N 2.85Å; L140-L143 PolarHBondContact O-N 3.15Å; L140-I144 HydrophobicContact CD1-CG1 3.99Å; L140-I144 HydrophobicContact CG-CG1 4.46Å; L140-I144 WeakPolarHBondContact O-CG1 3.49Å; L140-I144 PolarHBondContact O-N 3.24Å; L140-M204 HydrophobicContact CB-CG 4.06Å; L140-M204 HydrophobicContact CB-SD 4.13Å; L140-M204 HydrophobicContact CD1-CE 4.11Å; L140-M204 HydrophobicContact CD1-SD 3.93Å; L140-P266 HydrophobicContact CD1-CG 3.78Å |
| 141 | Y | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.5 | -49.3 | 175.1 | 172.7 | -92.2 | 0 | 0 | 0 | 111.5 | V48 M85 L88 L89 M92 A137 V138 S139 I144 L145 | V48-Y141 HydrophobicContact CG2-CD2 4.11Å; M85-Y141 HydrophobicContact CB-CE2 4.5Å; M85-Y141 HydrophobicContact CE-CD2 3.6Å; M85-Y141 HydrophobicContact CE-CE2 3.45Å; M85-Y141 VanDerWaalsContact CE-CE2 3.45Å; M85-Y141 HydrophobicContact CE-CG 4.42Å; M85-Y141 WeakPolarHBondContact O-CE2 3.19Å; M85-Y141 PolarHBondContact O-OH 3Å; M85-Y141 HydrophobicContact SD-CD2 4.21Å; M85-Y141 HydrophobicContact SD-CE2 4.05Å; L88-Y141 HydrophobicContact CB-CD2 4.14Å; L88-Y141 HydrophobicContact CB-CE2 3.82Å; L88-Y141 HydrophobicContact CD1-CD2 3.98Å; L88-Y141 HydrophobicContact CD1-CE2 4.26Å; L89-Y141 WeakPolarHBondContact CB-OH 3.2Å; M92-Y141 HydrophobicContact CE-CD1 3.66Å; M92-Y141 HydrophobicContact CE-CD2 4.11Å; M92-Y141 HydrophobicContact CE-CE1 3.62Å; M92-Y141 HydrophobicContact CE-CE2 4.07Å; M92-Y141 HydrophobicContact CE-CG 3.91Å; A137-Y141 PolarHBondContact O-N 3.18Å; A137-Y141 VanDerWaalsContact O-N 3.08Å; V138-Y141 WeakPolarHBondContact O-CB 3.37Å; V138-Y141 PolarHBondContact O-N 2.71Å; S139-Y141 VanDerWaalsContact C-N 3.32Å; S139-Y141 PolarHBondContact O-N 3.11Å; Y141-I144 PolarHBondContact O-N 3.32Å; Y141-L145 HydrophobicContact CE1-CD2 4.07Å; Y141-L145 WeakPolarHBondContact O-CB 3.44Å; Y141-L145 PolarHBondContact O-N 3.25Å |
| 142 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 179 | -70.2 | 175.8 | 0 | 0 | 0 | 112.1 | V138 S139 I144 L145 A146 I165 L168 I172 A208 M212 | V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 2.97Å; S139-L142 PolarHBondContact O-N 3.5Å; L142-I144 PolarHBondContact O-N 3.42Å; L142-L145 PolarHBondContact O-N 3.03Å; L142-A146 WeakPolarHBondContact O-CB 3.21Å; L142-A146 PolarHBondContact O-N 2.7Å; L142-I165 HydrophobicContact CD2-CG2 3.9Å; L142-L168 HydrophobicContact CD1-CB 4.14Å; L142-L168 HydrophobicContact CD2-CB 4.26Å; L142-L168 HydrophobicContact CD2-CD1 4.33Å; L142-I172 HydrophobicContact CD1-CD1 3.73Å; L142-I172 HydrophobicContact CD1-CG1 4.22Å; L142-A208 HydrophobicContact CB-CB 4.06Å; L142-M212 HydrophobicContact CB-CG 4.19Å; L142-M212 HydrophobicContact CB-SD 4.28Å; L142-M212 HydrophobicContact CD2-CE 4.25Å; L142-M212 HydrophobicContact CD2-SD 4.44Å |
| 143 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 177 | 175.1 | 62.6 | 0 | 0 | 0 | 111.7 | S139 L140 A146 Q147 M204 A207 A208 A211 P266 A267 | S139-L143 WeakPolarHBondContact O-CB 3.37Å; S139-L143 PolarHBondContact O-N 3.08Å; L140-L143 PolarHBondContact O-N 3.15Å; L143-A146 WeakPolarHBondContact O-CB 3.36Å; L143-A146 PolarHBondContact O-N 3.12Å; L143-Q147 WeakPolarHBondContact O-CG 3.42Å; L143-Q147 PolarHBondContact O-N 2.68Å; L143-M204 HydrophobicContact CD2-SD 3.7Å; L143-A207 HydrophobicContact CD1-CB 4.32Å; L143-A207 HydrophobicContact CD2-CB 4.13Å; L143-A208 HydrophobicContact CB-CB 4.32Å; L143-A211 HydrophobicContact CD1-CB 3.66Å; L143-P266 HydrophobicContact CD2-CB 4.18Å; L143-P266 HydrophobicContact CD2-CG 4.28Å; L143-A267 HydrophobicContact CD2-CB 4.41Å |
| 144 | I | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -72.8 | -34.7 | -179.5 | -62.8 | -51.1 | 0 | 0 | 0 | 111.4 | V48 L52 M85 L140 Y141 L142 A146 Q147 M148 P266 | V48-I144 HydrophobicContact CG1-CB 3.79Å; V48-I144 HydrophobicContact CG1-CG1 3.61Å; V48-I144 HydrophobicContact CG1-CG2 4.06Å; L52-I144 HydrophobicContact CD2-CD1 3.85Å; L52-I144 HydrophobicContact CD2-CG1 4.11Å; L52-I144 HydrophobicContact CD2-CG2 3.7Å; M85-I144 HydrophobicContact CE-CG2 4.35Å; L140-I144 HydrophobicContact CD1-CG1 3.99Å; L140-I144 HydrophobicContact CG-CG1 4.46Å; L140-I144 WeakPolarHBondContact O-CG1 3.49Å; L140-I144 PolarHBondContact O-N 3.24Å; Y141-I144 PolarHBondContact O-N 3.32Å; L142-I144 PolarHBondContact O-N 3.42Å; I144-A146 VanDerWaalsContact C-N 3.27Å; I144-A146 PolarHBondContact O-N 3.12Å; I144-Q147 PolarHBondContact O-N 2.8Å; I144-M148 HydrophobicContact CG2-CE 3.52Å; I144-M148 HydrophobicContact CG2-CG 4.1Å; I144-M148 HydrophobicContact CG2-SD 3.99Å; I144-M148 WeakPolarHBondContact O-CB 3.25Å; I144-M148 WeakPolarHBondContact O-CG 3.49Å; I144-M148 PolarHBondContact O-N 2.93Å; I144-P266 HydrophobicContact CD1-CB 4.13Å |
| 145 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56 | -45 | 170.1 | 176.4 | 65.9 | 0 | 0 | 0 | 110.8 | M85 Y141 L142 T149 I155 V156 I165 L217 | M85-L145 HydrophobicContact CE-CB 4.1Å; Y141-L145 HydrophobicContact CE1-CD2 4.07Å; Y141-L145 WeakPolarHBondContact O-CB 3.44Å; Y141-L145 PolarHBondContact O-N 3.25Å; L142-L145 PolarHBondContact O-N 3.03Å; L145-T149 VanDerWaalsContact O-CB 3.31Å; L145-T149 WeakPolarHBondContact O-CB 3.44Å; L145-T149 PolarHBondContact O-N 3.08Å; L145-T149 PolarHBondContact O-OG1 3.14Å; L145-I155 HydrophobicContact CD1-CB 3.87Å; L145-I155 HydrophobicContact CD1-CD1 3.81Å; L145-I155 HydrophobicContact CD1-CG1 4.43Å; L145-I155 HydrophobicContact CD1-CG2 3.7Å; L145-V156 HydrophobicContact CD1-CG2 4.38Å; L145-I165 HydrophobicContact CD2-CD1 3.87Å; L145-I165 HydrophobicContact CD2-CG1 4.41Å; L145-I165 HydrophobicContact CD2-CG2 4.43Å; L145-L217 HydrophobicContact CD2-CD2 4.34Å |
| 146 | A | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.1 | -49.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L142 L143 I144 M148 T149 A150 A211 M212 L215 L426 | L142-A146 WeakPolarHBondContact O-CB 3.21Å; L142-A146 PolarHBondContact O-N 2.7Å; L143-A146 WeakPolarHBondContact O-CB 3.36Å; L143-A146 PolarHBondContact O-N 3.12Å; I144-A146 VanDerWaalsContact C-N 3.27Å; I144-A146 PolarHBondContact O-N 3.12Å; A146-M148 PolarHBondContact O-N 2.94Å; A146-T149 PolarHBondContact O-N 2.99Å; A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 3.36Å; A146-A211 HydrophobicContact CB-CB 3.85Å; A146-M212 HydrophobicContact CB-SD 3.88Å; A146-L215 HydrophobicContact CB-CD2 3.66Å; A146-L426 HydrophobicContact CB-CD1 3.95Å |
| 147 | Q | 95.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 16 Ų | 16 | 2% | 0.023 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 179.2 | -63.7 | -74.4 | 13.7 | 0 | 0 | 112 | W55 L143 I144 A150 S151 D424 P425 L426 | W55-Q147 HydrophobicContact CH2-CB 4.07Å; L143-Q147 WeakPolarHBondContact O-CG 3.42Å; L143-Q147 PolarHBondContact O-N 2.68Å; I144-Q147 PolarHBondContact O-N 2.8Å; Q147-A150 PolarHBondContact O-N 3.38Å; Q147-S151 WeakPolarHBondContact O-CB 3.25Å; Q147-S151 PolarHBondContact O-N 2.95Å; Q147-D424 PolarHBondContact NE2-OD1 2.83Å; Q147-P425 HydrophobicContact CB-CG 4.49Å; Q147-P425 WeakPolarHBondContact O-CG 3.39Å; Q147-P425 VanDerWaalsContact OE1-CG 3.24Å; Q147-L426 HydrophobicContact CG-CD1 4.49Å |
| 148 | M | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 177 | -73.4 | -176.2 | 179.1 | 0 | 0 | 111.7 | I51 L52 W55 M85 I144 A146 S151 G152 L153 I155 | I51-M148 HydrophobicContact CG2-CE 3.84Å; L52-M148 HydrophobicContact CD2-CE 4.38Å; W55-M148 HydrophobicContact CB-CE 3.86Å; W55-M148 HydrophobicContact CD2-CE 4.18Å; W55-M148 HydrophobicContact CD2-CG 4.1Å; W55-M148 HydrophobicContact CE3-CE 4.46Å; W55-M148 HydrophobicContact CG-CE 3.93Å; W55-M148 HydrophobicContact CG-CG 4.26Å; W55-M148 HydrophobicContact CZ2-CG 4.42Å; M85-M148 HydrophobicContact CG-SD 3.87Å; M85-M148 HydrophobicContact SD-SD 4.44Å; I144-M148 HydrophobicContact CG2-CE 3.52Å; I144-M148 HydrophobicContact CG2-CG 4.1Å; I144-M148 HydrophobicContact CG2-SD 3.99Å; I144-M148 WeakPolarHBondContact O-CB 3.25Å; I144-M148 WeakPolarHBondContact O-CG 3.49Å; I144-M148 PolarHBondContact O-N 2.93Å; A146-M148 PolarHBondContact O-N 2.94Å; M148-S151 PolarHBondContact O-N 2.9Å; M148-S151 PolarHBondContact O-OG 2.96Å; M148-G152 PolarHBondContact O-N 3.37Å; M148-L153 HydrophobicContact CB-CB 4.42Å; M148-L153 PolarHBondContact O-N 3.39Å; M148-L153 VanDerWaalsContact O-N 3.09Å; M148-I155 HydrophobicContact CB-CD1 3.73Å; M148-I155 HydrophobicContact CG-CD1 4.49Å; M148-I155 HydrophobicContact SD-CD1 3.97Å |
| 149 | T | 95.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 177 | -55 | 0 | 0 | 0 | 0 | 110.9 | L145 A146 S151 G152 D216 | L145-T149 VanDerWaalsContact O-CB 3.31Å; L145-T149 WeakPolarHBondContact O-CB 3.44Å; L145-T149 PolarHBondContact O-N 3.08Å; L145-T149 PolarHBondContact O-OG1 3.14Å; A146-T149 PolarHBondContact O-N 2.99Å; T149-S151 VanDerWaalsContact C-N 3.26Å; T149-S151 PolarHBondContact O-N 3.33Å; T149-G152 WeakPolarHBondContact O-CA 3.27Å; T149-G152 PolarHBondContact O-N 2.81Å; T149-D216 WeakPolarHBondContact CG2-O 3.41Å |
| 150 | A | 93.4 | Very high | 95.2 | Very high | 45 Ų | 45 | 23.1 Ų | 23.1 | 37% | 0.372 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.4 | -29.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A146 Q147 G152 P425 L426 | A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 3.36Å; Q147-A150 PolarHBondContact O-N 3.38Å; A150-G152 PolarHBondContact O-N 2.99Å; A150-P425 HydrophobicContact CB-CB 4.1Å; A150-P425 HydrophobicContact CB-CG 3.91Å; A150-L426 HydrophobicContact CB-CD2 3.71Å; A150-L426 HydrophobicContact CB-CG 4.07Å |
| 151 | S | 92.1 | Very high | 95.1 | Very high | 23 Ų | 23 | 23.4 Ų | 23.4 | 16% | 0.161 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -5.8 | 172.5 | 78.6 | 0 | 0 | 0 | 0 | 114.2 | W55 Q147 M148 T149 L153 | W55-S151 PolarHBondContact NE1-OG 3.4Å; Q147-S151 WeakPolarHBondContact O-CB 3.25Å; Q147-S151 PolarHBondContact O-N 2.95Å; M148-S151 PolarHBondContact O-N 2.9Å; M148-S151 PolarHBondContact O-OG 2.96Å; T149-S151 VanDerWaalsContact C-N 3.26Å; T149-S151 PolarHBondContact O-N 3.33Å; S151-L153 WeakPolarHBondContact OG-CD1 3.41Å |
| 152 | G | 91.3 | Very high | 95 | Very high | 58 Ų | 58 | 23.7 Ų | 23.7 | 60% | 0.598 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 99.2 | 10.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | M148 T149 A150 | M148-G152 PolarHBondContact O-N 3.37Å; T149-G152 WeakPolarHBondContact O-CA 3.27Å; T149-G152 PolarHBondContact O-N 2.81Å; A150-G152 PolarHBondContact O-N 2.99Å |
| 153 | L | 92.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | trans | -79.2 | 128.5 | 173.2 | -85.2 | 69.7 | 0 | 0 | 0 | 110.1 | E78 C81 V82 M148 S151 I155 | E78-L153 HydrophobicContact CG-CD1 4.33Å; E78-L153 HydrophobicContact CG-CG 4.47Å; C81-L153 HydrophobicContact CB-CD2 4Å; V82-L153 HydrophobicContact CG2-CD2 4.47Å; M148-L153 HydrophobicContact CB-CB 4.42Å; M148-L153 PolarHBondContact O-N 3.39Å; M148-L153 VanDerWaalsContact O-N 3.09Å; S151-L153 WeakPolarHBondContact OG-CD1 3.41Å; L153-I155 HydrophobicContact CB-CG1 4.42Å; L153-I155 PolarHBondContact O-N 3.23Å | ||
| 154 | Q | 92.3 | Very high | 94.8 | Very high | 81 Ų | 81 | 24.8 Ų | 24.8 | 38% | 0.379 | 15% | 0.152 | S | C | . | . | trans | -91.7 | 102 | 175.9 | -163.5 | -175.5 | -6.8 | 0 | 0 | 110.2 | F157 | Q154-F157 HydrophobicContact CB-CE1 4.17Å; Q154-F157 HydrophobicContact CG-CD1 4.01Å; Q154-F157 HydrophobicContact CG-CE1 3.63Å; Q154-F157 WeakPolarHBondContact O-CE1 3.26Å; Q154-F157 WeakPolarHBondContact O-CZ 3.39Å | ||
| 155 | I | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -102 | -37.2 | -177.2 | -63.2 | 168 | 0 | 0 | 0 | 111.7 | V82 M85 R86 L145 M148 L153 | V82-I155 HydrophobicContact CG2-CG1 4.16Å; M85-I155 HydrophobicContact CB-CD1 4.15Å; M85-I155 HydrophobicContact CB-CG2 3.84Å; M85-I155 HydrophobicContact CG-CD1 4.23Å; R86-I155 WeakPolarHBondContact CD-O 3.3Å; R86-I155 HydrophobicContact CG-CG2 4Å; R86-I155 WeakPolarHBondContact CG-O 3.29Å; R86-I155 PolarHBondContact NH1-O 3.2Å; L145-I155 HydrophobicContact CD1-CB 3.87Å; L145-I155 HydrophobicContact CD1-CD1 3.81Å; L145-I155 HydrophobicContact CD1-CG1 4.43Å; L145-I155 HydrophobicContact CD1-CG2 3.7Å; M148-I155 HydrophobicContact CB-CD1 3.73Å; M148-I155 HydrophobicContact CG-CD1 4.49Å; M148-I155 HydrophobicContact SD-CD1 3.97Å; L153-I155 HydrophobicContact CB-CG1 4.42Å; L153-I155 PolarHBondContact O-N 3.23Å | ||
| 156 | V | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -98.1 | 138.4 | -178.4 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | L145 E161 V162 I165 L217 F218 | L145-V156 HydrophobicContact CD1-CG2 4.38Å; V156-E161 HydrophobicContact CG1-CB 3.65Å; V156-V162 HydrophobicContact CG1-CG2 4.02Å; V156-I165 HydrophobicContact CG1-CD1 4.25Å; V156-I165 HydrophobicContact CG2-CD1 3.56Å; V156-L217 HydrophobicContact CB-CB 4.17Å; V156-L217 HydrophobicContact CG1-CB 4.4Å; V156-L217 HydrophobicContact CG2-CB 4.18Å; V156-L217 HydrophobicContact CG2-CD1 4.41Å; V156-L217 HydrophobicContact CG2-CD2 4.37Å; V156-F218 HydrophobicContact CB-CD1 4.49Å; V156-F218 HydrophobicContact CB-CE1 4.39Å; V156-F218 HydrophobicContact CG1-CE1 4.02Å; V156-F218 WeakPolarHBondContact O-CD1 3.48Å | ||
| 157 | F | 93.6 | Very high | 94.7 | Very high | 101 Ų | 101 | 25 Ų | 25 | 44% | 0.443 | 15% | 0.153 | S | C | . | . | trans | -128.7 | -12.4 | -172.7 | -60.1 | -48.7 | 0 | 0 | 0 | 114.7 | V82 R86 Q154 E161 | V82-F157 HydrophobicContact CG1-CZ 4.39Å; R86-F157 VanDerWaalsContact CD-CE2 3.49Å; R86-F157 VanDerWaalsContact CZ-CE2 3.48Å; Q154-F157 HydrophobicContact CB-CE1 4.17Å; Q154-F157 HydrophobicContact CG-CD1 4.01Å; Q154-F157 HydrophobicContact CG-CE1 3.63Å; Q154-F157 WeakPolarHBondContact O-CE1 3.26Å; Q154-F157 WeakPolarHBondContact O-CZ 3.39Å; F157-E161 WeakPolarHBondContact CA-OE2 3.29Å; F157-E161 PolarHBondContact N-OE2 3.48Å | ||
| 158 | S | 94 | Very high | 94.7 | Very high | 41 Ų | 41 | 24.8 Ų | 24.8 | 29% | 0.287 | 15% | 0.152 | S | C | . | . | trans | -135 | 152.9 | -178.7 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | D160 E161 V162 | S158-D160 PolarHBondContact O-N 3.03Å; S158-E161 PolarHBondContact N-OE2 3.19Å; S158-E161 WeakPolarHBondContact O-CB 3.31Å; S158-E161 PolarHBondContact O-N 3.37Å; S158-E161 VanDerWaalsContact OG-CG 3.22Å; S158-E161 WeakPolarHBondContact OG-CG 3.36Å; S158-E161 PolarHBondContact OG-N 3.34Å; S158-E161 PolarHBondContact OG-OE2 3.43Å; S158-V162 WeakPolarHBondContact O-CG2 3.22Å; S158-V162 PolarHBondContact O-N 3.24Å; S158-V162 VanDerWaalsContact O-N 3.12Å | ||
| 159 | L | 91.9 | Very high | 94.8 | Very high | 71 Ų | 71 | 24.8 Ų | 24.8 | 37% | 0.372 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.2 | -24.5 | 174.9 | -66.2 | 177.8 | 0 | 0 | 0 | 112.7 | V162 S163 F218 A225 T621 | L159-V162 WeakPolarHBondContact O-CB 3.4Å; L159-V162 PolarHBondContact O-N 3.3Å; L159-S163 PolarHBondContact O-N 3.3Å; L159-S163 PolarHBondContact O-OG 3.35Å; L159-S163 VanDerWaalsContact O-OG 3.06Å; L159-F218 HydrophobicContact CD2-CE2 3.94Å; L159-F218 HydrophobicContact CD2-CZ 4.21Å; L159-A225 HydrophobicContact CD1-CB 4.49Å; L159-A225 HydrophobicContact CD2-CB 4.05Å; L159-T621 HydrophobicContact CD1-CG2 3.78Å |
| 160 | D | 94.1 | Very high | 94.7 | Very high | 43 Ų | 43 | 25.1 Ų | 25.1 | 23% | 0.23 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | 173.3 | -64.1 | -39.7 | 0 | 0 | 0 | 110.4 | S158 S163 F164 N489 K491 L492 | S158-D160 PolarHBondContact O-N 3.03Å; D160-S163 PolarHBondContact O-N 3.27Å; D160-F164 PolarHBondContact O-N 3.45Å; D160-N489 PolarHBondContact OD1-ND2 3.4Å; D160-K491 IonicContact OD1-NZ 3.58Å; D160-K491 IonicContact OD2-NZ 2.93Å; D160-K491 PolarHBondContact OD2-NZ 3.02Å; D160-K491 VanDerWaalsContact OD2-NZ 3.1Å; D160-L492 HydrophobicContact CB-CD1 4.31Å; D160-L492 WeakPolarHBondContact O-CD1 3.18Å |
| 161 | E | 95.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 171.5 | -70.6 | 164.1 | 152.3 | 0 | 0 | 111.7 | R86 L89 M90 M93 V156 F157 S158 S163 F164 I165 | R86-E161 IonicContact CZ-OE1 3.53Å; R86-E161 IonicContact NH1-OE1 3.31Å; R86-E161 PolarHBondContact NH1-OE1 3.49Å; R86-E161 IonicContact NH1-OE2 3.45Å; R86-E161 IonicContact NH2-OE1 3.1Å; R86-E161 PolarHBondContact NH2-OE1 3.22Å; L89-E161 HydrophobicContact CD2-CB 4.23Å; L89-E161 HydrophobicContact CD2-CG 4.01Å; M90-E161 WeakPolarHBondContact CE-OE1 3.4Å; M93-E161 HydrophobicContact CE-CG 4.16Å; M93-E161 HydrophobicContact SD-CG 3.83Å; V156-E161 HydrophobicContact CG1-CB 3.65Å; F157-E161 WeakPolarHBondContact CA-OE2 3.29Å; F157-E161 PolarHBondContact N-OE2 3.48Å; S158-E161 PolarHBondContact N-OE2 3.19Å; S158-E161 WeakPolarHBondContact O-CB 3.31Å; S158-E161 PolarHBondContact O-N 3.37Å; S158-E161 VanDerWaalsContact OG-CG 3.22Å; S158-E161 WeakPolarHBondContact OG-CG 3.36Å; S158-E161 PolarHBondContact OG-N 3.34Å; S158-E161 PolarHBondContact OG-OE2 3.43Å; E161-S163 PolarHBondContact O-N 3.23Å; E161-F164 PolarHBondContact O-N 2.61Å; E161-I165 WeakPolarHBondContact O-CG1 3.29Å; E161-I165 PolarHBondContact O-N 3.06Å |
| 162 | V | 95.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | V156 S158 L159 F164 I165 Q166 L217 F218 I228 | V156-V162 HydrophobicContact CG1-CG2 4.02Å; S158-V162 WeakPolarHBondContact O-CG2 3.22Å; S158-V162 PolarHBondContact O-N 3.24Å; S158-V162 VanDerWaalsContact O-N 3.12Å; L159-V162 WeakPolarHBondContact O-CB 3.4Å; L159-V162 PolarHBondContact O-N 3.3Å; V162-F164 VanDerWaalsContact C-N 3.3Å; V162-F164 PolarHBondContact O-N 3.03Å; V162-I165 PolarHBondContact O-N 3.03Å; V162-Q166 WeakPolarHBondContact O-CB 3.5Å; V162-Q166 PolarHBondContact O-N 2.82Å; V162-L217 HydrophobicContact CB-CD1 4.3Å; V162-L217 HydrophobicContact CG1-CD1 4.21Å; V162-L217 HydrophobicContact CG2-CB 4.23Å; V162-L217 HydrophobicContact CG2-CD1 4.02Å; V162-F218 HydrophobicContact CG2-CE1 4.18Å; V162-F218 HydrophobicContact CG2-CZ 4.18Å; V162-I228 HydrophobicContact CG1-CD1 3.99Å |
| 163 | S | 94.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 19.9 Ų | 19.9 | 15% | 0.154 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.8 | -38.5 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | L159 D160 E161 Q166 N167 | L159-S163 PolarHBondContact O-N 3.3Å; L159-S163 PolarHBondContact O-OG 3.35Å; L159-S163 VanDerWaalsContact O-OG 3.06Å; D160-S163 PolarHBondContact O-N 3.27Å; E161-S163 PolarHBondContact O-N 3.23Å; S163-Q166 PolarHBondContact O-N 3.07Å; S163-N167 PolarHBondContact O-N 2.89Å; S163-N167 VanDerWaalsContact O-N 3.09Å; S163-N167 PolarHBondContact O-ND2 3.34Å |
| 164 | F | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.4 | -177.4 | -101.3 | 0 | 0 | 0 | 112 | L89 M92 M93 K96 V99 D160 E161 V162 Q166 N167 L168 L492 L494 | L89-F164 HydrophobicContact CD1-CD1 3.84Å; L89-F164 HydrophobicContact CD1-CE1 4.15Å; M92-F164 VanDerWaalsContact C-CZ 3.41Å; M92-F164 HydrophobicContact CB-CE1 3.87Å; M92-F164 HydrophobicContact CB-CZ 3.93Å; M92-F164 WeakPolarHBondContact O-CZ 3.36Å; M93-F164 HydrophobicContact CB-CD1 4.47Å; M93-F164 HydrophobicContact CB-CE1 4.34Å; M93-F164 HydrophobicContact CB-CZ 4.41Å; M93-F164 HydrophobicContact CE-CB 4.42Å; M93-F164 HydrophobicContact CG-CB 4.2Å; M93-F164 HydrophobicContact CG-CD1 3.3Å; M93-F164 HydrophobicContact CG-CD2 3.99Å; M93-F164 HydrophobicContact CG-CE1 3.53Å; M93-F164 HydrophobicContact CG-CE2 4.21Å; M93-F164 HydrophobicContact CG-CG 3.54Å; M93-F164 HydrophobicContact CG-CZ 4Å; M93-F164 HydrophobicContact SD-CD1 4.32Å; M93-F164 HydrophobicContact SD-CG 4.47Å; K96-F164 HydrophobicContact CB-CD2 4.3Å; K96-F164 HydrophobicContact CB-CE2 3.98Å; V99-F164 HydrophobicContact CG2-CE2 4.01Å; V99-F164 HydrophobicContact CG2-CZ 4.14Å; D160-F164 PolarHBondContact O-N 3.45Å; E161-F164 PolarHBondContact O-N 2.61Å; V162-F164 VanDerWaalsContact C-N 3.3Å; V162-F164 PolarHBondContact O-N 3.03Å; F164-Q166 VanDerWaalsContact C-N 3.31Å; F164-Q166 PolarHBondContact O-N 3.48Å; F164-N167 CarbonylContact O-C 3.49Å; F164-N167 WeakPolarHBondContact O-CA 3.49Å; F164-N167 WeakPolarHBondContact O-CB 3.39Å; F164-N167 PolarHBondContact O-N 3.26Å; F164-L168 HydrophobicContact CD1-CD1 4.16Å; F164-L168 HydrophobicContact CD1-CG 4.22Å; F164-L168 HydrophobicContact CE1-CD1 3.71Å; F164-L168 HydrophobicContact CE1-CD2 4.02Å; F164-L168 HydrophobicContact CE1-CG 3.83Å; F164-L168 HydrophobicContact CZ-CD1 4.46Å; F164-L168 HydrophobicContact CZ-CD2 3.95Å; F164-L168 HydrophobicContact CZ-CG 4.22Å; F164-L168 PolarHBondContact O-N 3.05Å; F164-L492 HydrophobicContact CB-CD1 4.13Å; F164-L494 HydrophobicContact CD2-CD1 4.29Å |
| 165 | I | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 176.6 | -69.2 | 161.5 | 0 | 0 | 0 | 111.2 | L89 L142 L145 V156 E161 V162 N167 L168 V169 M212 L217 I228 | L89-I165 HydrophobicContact CD1-CD1 4.33Å; L89-I165 HydrophobicContact CD1-CG1 4.05Å; L89-I165 HydrophobicContact CD2-CD1 4.47Å; L142-I165 HydrophobicContact CD2-CG2 3.9Å; L145-I165 HydrophobicContact CD2-CD1 3.87Å; L145-I165 HydrophobicContact CD2-CG1 4.41Å; L145-I165 HydrophobicContact CD2-CG2 4.43Å; V156-I165 HydrophobicContact CG1-CD1 4.25Å; V156-I165 HydrophobicContact CG2-CD1 3.56Å; E161-I165 WeakPolarHBondContact O-CG1 3.29Å; E161-I165 PolarHBondContact O-N 3.06Å; V162-I165 PolarHBondContact O-N 3.03Å; I165-N167 PolarHBondContact O-N 2.95Å; I165-L168 WeakPolarHBondContact O-CB 3.26Å; I165-L168 PolarHBondContact O-N 3.2Å; I165-L168 VanDerWaalsContact O-N 3.08Å; I165-V169 PolarHBondContact O-N 3.43Å; I165-M212 HydrophobicContact CG2-CE 3.4Å; I165-L217 HydrophobicContact CB-CD1 4.02Å; I165-L217 HydrophobicContact CD1-CD1 3.69Å; I165-L217 HydrophobicContact CG1-CD1 4.47Å; I165-L217 HydrophobicContact CG2-CD1 3.87Å; I165-I228 HydrophobicContact CG2-CD1 4.16Å; I165-I228 HydrophobicContact CG2-CG1 4.44Å |
| 166 | Q | 96.4 | Very high | 93.7 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.028 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.4 | -33.3 | 172.5 | -175.1 | 63.2 | 73.1 | 0 | 0 | 112.2 | V162 S163 F164 V169 F170 I228 H229 L486 | V162-Q166 WeakPolarHBondContact O-CB 3.5Å; V162-Q166 PolarHBondContact O-N 2.82Å; S163-Q166 PolarHBondContact O-N 3.07Å; F164-Q166 VanDerWaalsContact C-N 3.31Å; F164-Q166 PolarHBondContact O-N 3.48Å; Q166-V169 WeakPolarHBondContact O-CB 3.24Å; Q166-V169 PolarHBondContact O-N 3.32Å; Q166-F170 HydrophobicContact CG-CE2 4.04Å; Q166-F170 HydrophobicContact CG-CZ 3.84Å; Q166-F170 WeakPolarHBondContact O-CD2 3.3Å; Q166-F170 PolarHBondContact O-N 3.06Å; Q166-I228 HydrophobicContact CB-CD1 3.84Å; Q166-H229 PolarHBondContact NE2-O 3.36Å; Q166-H229 PolarHBondContact OE1-O 2.95Å; Q166-L486 HydrophobicContact CG-CD1 4.31Å; Q166-L486 HydrophobicContact CG-CG 4.03Å |
| 167 | N | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -77.7 | -27.8 | 173.6 | -77.5 | -95.8 | 0 | 0 | 0 | 112.9 | V99 K103 S163 F164 I165 V169 F170 Y171 G487 L494 | V99-N167 HydrophobicContact CG1-CB 4.11Å; K103-N167 PolarHBondContact NZ-OD1 3.39Å; S163-N167 PolarHBondContact O-N 2.89Å; S163-N167 VanDerWaalsContact O-N 3.09Å; S163-N167 PolarHBondContact O-ND2 3.34Å; F164-N167 CarbonylContact O-C 3.49Å; F164-N167 WeakPolarHBondContact O-CA 3.49Å; F164-N167 WeakPolarHBondContact O-CB 3.39Å; F164-N167 PolarHBondContact O-N 3.26Å; I165-N167 PolarHBondContact O-N 2.95Å; N167-V169 VanDerWaalsContact C-N 3.28Å; N167-F170 HydrophobicContact CB-CD2 4.46Å; N167-F170 PolarHBondContact O-N 3.45Å; N167-Y171 PolarHBondContact O-N 2.64Å; N167-G487 PolarHBondContact ND2-O 3.29Å; N167-L494 HydrophobicContact CB-CD1 4.36Å; N167-L494 HydrophobicContact CB-CD2 4.48Å |
| 168 | L | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.9 | -32.2 | 168.4 | -67.1 | -176.8 | 0 | 0 | 0 | 111.9 | M92 V99 L112 V138 L142 F164 I165 Y171 I172 | M92-L168 HydrophobicContact CE-CD1 4.39Å; M92-L168 HydrophobicContact SD-CD1 4.25Å; V99-L168 HydrophobicContact CG1-CD2 4.5Å; V99-L168 HydrophobicContact CG2-CD2 4.15Å; L112-L168 HydrophobicContact CD1-CD2 3.67Å; V138-L168 HydrophobicContact CG1-CD2 4.43Å; L142-L168 HydrophobicContact CD1-CB 4.14Å; L142-L168 HydrophobicContact CD2-CB 4.26Å; L142-L168 HydrophobicContact CD2-CD1 4.33Å; F164-L168 HydrophobicContact CD1-CD1 4.16Å; F164-L168 HydrophobicContact CD1-CG 4.22Å; F164-L168 HydrophobicContact CE1-CD1 3.71Å; F164-L168 HydrophobicContact CE1-CD2 4.02Å; F164-L168 HydrophobicContact CE1-CG 3.83Å; F164-L168 HydrophobicContact CZ-CD1 4.46Å; F164-L168 HydrophobicContact CZ-CD2 3.95Å; F164-L168 HydrophobicContact CZ-CG 4.22Å; F164-L168 PolarHBondContact O-N 3.05Å; I165-L168 WeakPolarHBondContact O-CB 3.26Å; I165-L168 PolarHBondContact O-N 3.2Å; I165-L168 VanDerWaalsContact O-N 3.08Å; L168-Y171 VanDerWaalsContact O-CB 3.3Å; L168-Y171 WeakPolarHBondContact O-CB 3.39Å; L168-Y171 PolarHBondContact O-N 3.29Å; L168-I172 PolarHBondContact O-N 2.64Å |
| 169 | V | 96.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 169.5 | 168.5 | 0 | 0 | 0 | 0 | 110.3 | I165 Q166 N167 Y171 I172 E173 L209 M212 I228 V230 | I165-V169 PolarHBondContact O-N 3.43Å; Q166-V169 WeakPolarHBondContact O-CB 3.24Å; Q166-V169 PolarHBondContact O-N 3.32Å; N167-V169 VanDerWaalsContact C-N 3.28Å; V169-Y171 PolarHBondContact O-N 3.4Å; V169-I172 WeakPolarHBondContact O-CG1 3.32Å; V169-I172 PolarHBondContact O-N 2.93Å; V169-I172 VanDerWaalsContact O-N 3.14Å; V169-E173 PolarHBondContact O-N 2.9Å; V169-L209 HydrophobicContact CG1-CD2 3.87Å; V169-M212 HydrophobicContact CG2-CB 4.34Å; V169-I228 HydrophobicContact CG2-CG2 3.91Å; V169-V230 HydrophobicContact CG1-CG1 4.38Å; V169-V230 HydrophobicContact CG1-CG2 3.8Å |
| 170 | F | 94.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 10.8 Ų | 10.8 | 6% | 0.057 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.2 | -28.2 | 175.4 | -53.8 | -35.3 | 0 | 0 | 0 | 113 | K103 Q166 N167 I172 E173 L486 R497 | K103-F170 HydrophobicContact CD-CB 3.99Å; K103-F170 HydrophobicContact CD-CD2 4.4Å; K103-F170 HydrophobicContact CG-CB 4.37Å; Q166-F170 HydrophobicContact CG-CE2 4.04Å; Q166-F170 HydrophobicContact CG-CZ 3.84Å; Q166-F170 WeakPolarHBondContact O-CD2 3.3Å; Q166-F170 PolarHBondContact O-N 3.06Å; N167-F170 HydrophobicContact CB-CD2 4.46Å; N167-F170 PolarHBondContact O-N 3.45Å; F170-I172 VanDerWaalsContact C-N 3.31Å; F170-E173 WeakPolarHBondContact CD1-OE2 3.31Å; F170-L486 HydrophobicContact CE1-CD2 4.13Å; F170-L486 WeakPolarHBondContact CE2-O 3.35Å; F170-L486 HydrophobicContact CZ-CB 4.26Å; F170-L486 HydrophobicContact CZ-CD2 3.82Å; F170-L486 HydrophobicContact CZ-CG 3.87Å; F170-R497 HydrophobicContact CD1-CB 4.41Å; F170-R497 HydrophobicContact CD1-CG 4.18Å; F170-R497 HydrophobicContact CD2-CB 4.37Å; F170-R497 HydrophobicContact CE1-CB 3.93Å; F170-R497 HydrophobicContact CE1-CG 3.96Å; F170-R497 HydrophobicContact CE2-CB 3.89Å; F170-R497 HydrophobicContact CZ-CB 3.65Å; F170-R497 HydrophobicContact CZ-CG 4.22Å |
| 171 | Y | 93.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 10.4 Ų | 10.4 | 1% | 0.012 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.5 | -35.8 | 173.8 | -176.9 | -83.7 | 0 | 0 | 0 | 111.9 | V99 F102 S111 L112 V138 N167 L168 V169 | V99-Y171 HydrophobicContact CG1-CD2 4.4Å; F102-Y171 HydrophobicContact CB-CD2 4.02Å; F102-Y171 HydrophobicContact CB-CE2 3.79Å; F102-Y171 AromaticContact CD1-CD2 3.28Å; F102-Y171 HydrophobicContact CD1-CD2 3.28Å; F102-Y171 HydrophobicContact CD1-CE1 4.47Å; F102-Y171 AromaticContact CD1-CE2 3.2Å; F102-Y171 HydrophobicContact CD1-CE2 3.2Å; F102-Y171 AromaticContact CD1-CG 3.99Å; F102-Y171 HydrophobicContact CD1-CG 3.99Å; F102-Y171 AromaticContact CD1-CZ 3.84Å; F102-Y171 HydrophobicContact CD2-CE2 4.1Å; F102-Y171 HydrophobicContact CE1-CD1 4.44Å; F102-Y171 AromaticContact CE1-CD2 3.94Å; F102-Y171 HydrophobicContact CE1-CD2 3.94Å; F102-Y171 HydrophobicContact CE1-CE1 4.22Å; F102-Y171 AromaticContact CE1-CE2 3.72Å; F102-Y171 HydrophobicContact CE1-CE2 3.72Å; F102-Y171 HydrophobicContact CE1-CG 4.29Å; F102-Y171 AromaticContact CE1-CZ 3.85Å; F102-Y171 AromaticContact CG-CD2 3.83Å; F102-Y171 HydrophobicContact CG-CD2 3.83Å; F102-Y171 AromaticContact CG-CE2 3.41Å; F102-Y171 HydrophobicContact CG-CE2 3.41Å; F102-Y171 VanDerWaalsContact CG-CE2 3.41Å; F102-Y171 HydrophobicContact CZ-CE2 4.35Å; S111-Y171 WeakPolarHBondContact CA-OH 3.48Å; S111-Y171 WeakPolarHBondContact CB-OH 3.44Å; L112-Y171 HydrophobicContact CD1-CE2 4.43Å; L112-Y171 HydrophobicContact CG-CE2 4.14Å; L112-Y171 PolarHBondContact N-OH 3.13Å; L112-Y171 VanDerWaalsContact N-OH 3.07Å; V138-Y171 HydrophobicContact CG1-CD1 4.43Å; V138-Y171 HydrophobicContact CG2-CE1 4.3Å; N167-Y171 PolarHBondContact O-N 2.64Å; L168-Y171 VanDerWaalsContact O-CB 3.3Å; L168-Y171 WeakPolarHBondContact O-CB 3.39Å; L168-Y171 PolarHBondContact O-N 3.29Å; V169-Y171 PolarHBondContact O-N 3.4Å |
| 172 | I | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -99.5 | -10.2 | -178.7 | 67.3 | 159.7 | 0 | 0 | 0 | 114.5 | I135 V138 L142 L168 V169 F170 S174 A175 A208 L209 | I135-I172 HydrophobicContact CG2-CG2 4.3Å; V138-I172 HydrophobicContact CB-CG2 4.35Å; V138-I172 HydrophobicContact CG1-CG2 4.07Å; L142-I172 HydrophobicContact CD1-CD1 3.73Å; L142-I172 HydrophobicContact CD1-CG1 4.22Å; L168-I172 PolarHBondContact O-N 2.64Å; V169-I172 WeakPolarHBondContact O-CG1 3.32Å; V169-I172 PolarHBondContact O-N 2.93Å; V169-I172 VanDerWaalsContact O-N 3.14Å; F170-I172 VanDerWaalsContact C-N 3.31Å; I172-S174 PolarHBondContact O-N 3.01Å; I172-A175 WeakPolarHBondContact O-CB 3.41Å; I172-A175 PolarHBondContact O-N 3.35Å; I172-A208 HydrophobicContact CD1-CB 3.69Å; I172-L209 HydrophobicContact CD1-CD2 4Å; I172-L209 HydrophobicContact CD1-CG 4.06Å; I172-L209 HydrophobicContact CG1-CD2 3.95Å; I172-L209 HydrophobicContact CG1-CG 4.39Å |
| 173 | E | 89.9 | Confident | 91.8 | Very high | 14 Ų | 14 | 10.3 Ų | 10.3 | 7% | 0.065 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.7 | -174.2 | 78.2 | -177.4 | -178.2 | 0 | 0 | 113.2 | V169 F170 Y176 L209 E234 R497 | V169-E173 PolarHBondContact O-N 2.9Å; F170-E173 WeakPolarHBondContact CD1-OE2 3.31Å; E173-Y176 WeakPolarHBondContact O-CE1 3.3Å; E173-L209 HydrophobicContact CB-CD2 4.36Å; E173-E234 HydrophobicContact CB-CB 4.25Å; E173-E234 HydrophobicContact CB-CG 4.28Å; E173-R497 IonicContact OE2-NE 3.74Å |
| 174 | S | 85.3 | Confident | 91.6 | Very high | 20 Ų | 20 | 10.3 Ų | 10.3 | 14% | 0.14 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 17.7 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 113.7 | I172 Y176 S177 I178 | I172-S174 PolarHBondContact O-N 3.01Å; S174-Y176 PolarHBondContact O-N 2.85Å; S174-S177 PolarHBondContact O-N 2.81Å; S174-S177 PolarHBondContact O-OG 2.7Å; S174-S177 VanDerWaalsContact O-OG 3.07Å; S174-I178 WeakPolarHBondContact O-CG1 3.4Å; S174-I178 PolarHBondContact O-N 2.95Å |
| 175 | A | 89.3 | Confident | 91.2 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 2% | 0.017 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -26.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | I135 I172 S177 A205 | I135-A175 HydrophobicContact CD1-CB 4.43Å; I135-A175 HydrophobicContact CG2-CB 3.75Å; I172-A175 WeakPolarHBondContact O-CB 3.41Å; I172-A175 PolarHBondContact O-N 3.35Å; A175-S177 PolarHBondContact O-N 3.05Å; A175-A205 HydrophobicContact CB-CB 3.4Å; A175-A205 VanDerWaalsContact CB-CB 3.4Å |
| 176 | Y | 83.8 | Confident | 90.4 | Very high | 25 Ų | 25 | 13.3 Ų | 13.3 | 10% | 0.098 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -17.6 | 176.8 | 63 | -97.7 | 0 | 0 | 0 | 114.5 | E173 S174 E234 K237 T851 | E173-Y176 WeakPolarHBondContact O-CE1 3.3Å; S174-Y176 PolarHBondContact O-N 2.85Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.46Å; Y176-K237 HydrophobicContact CD1-CB 3.66Å; Y176-K237 HydrophobicContact CD1-CD 4.11Å; Y176-K237 HydrophobicContact CD2-CB 4.45Å; Y176-K237 HydrophobicContact CE1-CB 3.84Å; Y176-K237 HydrophobicContact CE1-CD 3.39Å; Y176-K237 HydrophobicContact CE1-CG 4.3Å; Y176-K237 HydrophobicContact CE2-CD 4.1Å; Y176-K237 HydrophobicContact CG-CB 3.99Å; Y176-K237 WeakPolarHBondContact OH-CD 3.48Å; Y176-K237 PolarHBondContact OH-NZ 3.06Å; Y176-K237 VanDerWaalsContact OH-NZ 3.13Å; Y176-T851 HydrophobicContact CD2-CG2 3.54Å; Y176-T851 HydrophobicContact CE2-CG2 3.51Å |
| 177 | S | 81.3 | Confident | 89.7 | Confident | 14 Ų | 14 | 13 Ų | 13 | 10% | 0.098 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -2.3 | -174.8 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | S174 A175 P179 | S174-S177 PolarHBondContact O-N 2.81Å; S174-S177 PolarHBondContact O-OG 2.7Å; S174-S177 VanDerWaalsContact O-OG 3.07Å; A175-S177 PolarHBondContact O-N 3.05Å; S177-P179 WeakPolarHBondContact O-CD 3.22Å |
| 178 | I | 85.6 | Confident | 89.1 | Confident | 5 Ų | 5 | 13.5 Ų | 13.5 | 3% | 0.026 | 7% | 0.068 | C | C | . | . | trans | -106.7 | 111.4 | -175.2 | -61.7 | 169.5 | 0 | 0 | 0 | 109.2 | F102 Q106 L133 I135 S174 | F102-I178 HydrophobicContact CE1-CD1 4.05Å; F102-I178 HydrophobicContact CZ-CD1 4.16Å; F102-I178 HydrophobicContact CZ-CG2 4.19Å; Q106-I178 HydrophobicContact CB-CD1 4.18Å; Q106-I178 HydrophobicContact CB-CG1 4.25Å; Q106-I178 HydrophobicContact CG-CD1 3.99Å; Q106-I178 HydrophobicContact CG-CG1 4.39Å; L133-I178 HydrophobicContact CD2-CG2 4.02Å; I135-I178 HydrophobicContact CD1-CB 3.84Å; I135-I178 HydrophobicContact CD1-CG2 3.77Å; S174-I178 WeakPolarHBondContact O-CG1 3.4Å; S174-I178 PolarHBondContact O-N 2.95Å | ||
| 179 | P | 87.6 | Confident | 88.4 | Confident | 44 Ų | 44 | 13.8 Ų | 13.8 | 29% | 0.286 | 7% | 0.069 | S | C | . | . | trans | -62.2 | 137.7 | 169.1 | -21.5 | 34.4 | 0 | 0 | 0 | 111.2 | L133 S177 P195 E196 | L133-P179 WeakPolarHBondContact CD2-O 3.3Å; S177-P179 WeakPolarHBondContact O-CD 3.22Å; P179-P195 HydrophobicContact CB-CB 3.95Å; P179-P195 HydrophobicContact CB-CG 4.2Å; P179-E196 CarbonylContact C-O 3.39Å; P179-E196 WeakPolarHBondContact CA-O 3.47Å | ||
| 180 | D | 91.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | B | Isolated β-bridge | trans | -136.1 | 177.6 | -179.7 | 84.7 | -23.9 | 0 | 0 | 0 | 111.8 | L133 I135 G182 P195 E196 N198 S201 | L133-D180 HydrophobicContact CG-CB 4Å; L133-D180 WeakPolarHBondContact O-CB 3.11Å; I135-D180 HydrophobicContact CD1-CB 4.17Å; I135-D180 HydrophobicContact CG1-CB 4.12Å; I135-D180 PolarHBondContact N-OD2 3.09Å; D180-G182 VanDerWaalsContact C-N 3.26Å; D180-G182 PolarHBondContact O-N 3.23Å; D180-G182 PolarHBondContact OD1-N 3.12Å; D180-P195 WeakPolarHBondContact O-CA 3.37Å; D180-E196 PolarHBondContact N-O 3.16Å; D180-E196 PolarHBondContact O-N 3.45Å; D180-E196 VanDerWaalsContact O-O 3.08Å; D180-N198 PolarHBondContact O-ND2 2.85Å; D180-N198 PolarHBondContact OD1-ND2 3.17Å; D180-S201 VanDerWaalsContact CG-OG 3.3Å; D180-S201 PolarHBondContact OD1-OG 2.89Å; D180-S201 VanDerWaalsContact OD2-CB 3.3Å; D180-S201 WeakPolarHBondContact OD2-CB 3.24Å; D180-S201 PolarHBondContact OD2-OG 3.31Å |
| 181 | Y | 91.6 | Very high | 86.4 | Confident | 35 Ų | 35 | 14.1 Ų | 14.1 | 14% | 0.137 | 7% | 0.072 | C | C | . | . | trans | -82.5 | -5.1 | -179.9 | -69.6 | -78.3 | 0 | 0 | 0 | 113.6 | P108 G131 L133 E185 R186 G187 G193 | P108-Y181 HydrophobicContact CB-CE2 4.42Å; G131-Y181 VanDerWaalsContact C-CD2 3.43Å; G131-Y181 VanDerWaalsContact CA-CE2 3.41Å; L133-Y181 HydrophobicContact CB-CD2 4.13Å; L133-Y181 HydrophobicContact CB-CE2 4.35Å; L133-Y181 WeakPolarHBondContact O-CD2 3.43Å; L133-Y181 PolarHBondContact O-N 3.41Å; Y181-E185 CarbonylContact O-C 3.57Å; Y181-E185 PolarHBondContact O-N 2.74Å; Y181-R186 PolarHBondContact O-N 2.96Å; Y181-G187 PolarHBondContact O-N 3.43Å; Y181-G193 VanDerWaalsContact CE1-O 3.3Å; Y181-G193 WeakPolarHBondContact CE1-O 3.23Å; Y181-G193 PolarHBondContact OH-O 3.16Å | ||
| 182 | G | 90.9 | Very high | 85.5 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | -176.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D180 W184 E185 N198 | D180-G182 VanDerWaalsContact C-N 3.26Å; D180-G182 PolarHBondContact O-N 3.23Å; D180-G182 PolarHBondContact OD1-N 3.12Å; G182-W184 PolarHBondContact O-N 2.95Å; G182-E185 PolarHBondContact O-N 2.86Å; G182-E185 VanDerWaalsContact O-N 3.09Å; G182-N198 VanDerWaalsContact CA-ND2 3.25Å; G182-N198 WeakPolarHBondContact CA-ND2 3.43Å; G182-N198 PolarHBondContact N-ND2 3.29Å; G182-N198 VanDerWaalsContact N-ND2 3.17Å |
| 183 | I | 92.1 | Very high | 84.5 | Confident | 8 Ų | 8 | 18.7 Ų | 18.7 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18 | -173.2 | -160.9 | 171.5 | 0 | 0 | 0 | 114.2 | R45 W402 | R45-I183 VanDerWaalsContact NH1-CA 3.3Å; R45-I183 PolarHBondContact NH1-O 3.36Å; R45-I183 VanDerWaalsContact NH1-O 3.16Å; R45-I183 PolarHBondContact NH2-O 3.45Å; I183-W402 HydrophobicContact CD1-CH2 3.74Å; I183-W402 HydrophobicContact CD1-CZ2 4.25Å; I183-W402 HydrophobicContact CG1-CH2 4.04Å |
| 184 | W | 91.2 | Very high | 84.1 | Confident | 23 Ų | 23 | 24.3 Ų | 24.3 | 9% | 0.087 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 3 | -179.2 | -52.3 | 124.3 | 0 | 0 | 0 | 114 | G182 R186 D256 R295 F296 F331 | G182-W184 PolarHBondContact O-N 2.95Å; W184-R186 VanDerWaalsContact C-N 3.33Å; W184-R186 WeakPolarHBondContact O-CG 3.29Å; W184-R186 PolarHBondContact O-N 2.84Å; W184-D256 VanDerWaalsContact CD1-OD2 3.29Å; W184-D256 PolarHBondContact NE1-OD1 2.57Å; W184-D256 VanDerWaalsContact NE1-OD1 3.08Å; W184-D256 PolarHBondContact NE1-OD2 2.83Å; W184-R295 HydrophobicContact CD2-CG 4.41Å; W184-R295 HydrophobicContact CH2-CG 4.08Å; W184-R295 HydrophobicContact CZ2-CB 4.09Å; W184-R295 HydrophobicContact CZ2-CG 3.87Å; W184-R295 HydrophobicContact CZ3-CG 4.43Å; W184-F296 AromaticContact CD1-CD1 3.94Å; W184-F296 AromaticContact CD1-CE1 3.79Å; W184-F296 HydrophobicContact CG-CE1 4.38Å; W184-F331 HydrophobicContact CH2-CE1 4.48Å; W184-F331 AromaticContact CH2-CZ 3.87Å; W184-F331 HydrophobicContact CH2-CZ 3.87Å; W184-F331 HydrophobicContact CZ2-CE1 4.39Å; W184-F331 AromaticContact CZ2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CZ 3.77Å |
| 185 | E | 87.5 | Confident | 84.2 | Confident | 44 Ų | 44 | 25.2 Ų | 25.2 | 21% | 0.206 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 30.9 | 174.2 | -34.1 | -173.4 | 107.4 | 0 | 0 | 114 | W43 R45 W130 Q134 Y181 G182 | W43-E185 PolarHBondContact NE1-OE1 3.41Å; R45-E185 IonicContact NH2-OE1 3.78Å; W130-E185 HydrophobicContact CZ2-CB 4.5Å; W130-E185 VanDerWaalsContact CZ2-OE2 3.28Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.34Å; Q134-E185 PolarHBondContact NE2-OE1 3.23Å; Y181-E185 CarbonylContact O-C 3.57Å; Y181-E185 PolarHBondContact O-N 2.74Å; G182-E185 PolarHBondContact O-N 2.86Å; G182-E185 VanDerWaalsContact O-N 3.09Å |
| 186 | R | 81 | Confident | 84 | Confident | 19 Ų | 19 | 26.1 Ų | 26.1 | 7% | 0.072 | 14% | 0.135 | C | C | . | . | trans | -120.5 | -28.3 | -173.7 | -64.1 | -169.4 | 167.6 | -164.7 | -15.4 | 115.2 | Y181 W184 D188 N191 D299 E306 Y313 | Y181-R186 PolarHBondContact O-N 2.96Å; W184-R186 VanDerWaalsContact C-N 3.33Å; W184-R186 WeakPolarHBondContact O-CG 3.29Å; W184-R186 PolarHBondContact O-N 2.84Å; R186-D188 PolarHBondContact O-N 2.69Å; R186-N191 VanDerWaalsContact CA-OD1 3.24Å; R186-N191 WeakPolarHBondContact CA-OD1 3.42Å; R186-N191 HydrophobicContact CB-CB 4.41Å; R186-N191 WeakPolarHBondContact CB-OD1 3.23Å; R186-N191 HydrophobicContact CG-CB 4.41Å; R186-N191 VanDerWaalsContact CG-OD1 3.23Å; R186-N191 WeakPolarHBondContact CG-OD1 3.39Å; R186-D299 IonicContact NH1-OD1 2.68Å; R186-D299 PolarHBondContact NH1-OD1 2.59Å; R186-E306 IonicContact NH2-OE1 3.42Å; R186-Y313 VanDerWaalsContact CZ-OH 3.26Å; R186-Y313 VanDerWaalsContact NH1-CE2 3.29Å; R186-Y313 PolarHBondContact NH1-OH 3.09Å; R186-Y313 PolarHBondContact NH2-OH 3.41Å | ||
| 187 | G | 83 | Confident | 84.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 63.7 | -116.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y181 E194 K253 | Y181-G187 PolarHBondContact O-N 3.43Å; G187-E194 CarbonylContact C-O 3.43Å; G187-E194 WeakPolarHBondContact CA-O 3.36Å; G187-K253 WeakPolarHBondContact O-CE 3.36Å; G187-K253 PolarHBondContact O-NZ 3.19Å |
| 188 | D | 82.6 | Confident | 84.7 | Confident | 10 Ų | 10 | 25.8 Ų | 25.8 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -58.2 | 145.9 | 176 | -177.6 | -80.7 | 0 | 0 | 0 | 113.1 | R186 T190 N191 E194 E196 K1072 | R186-D188 PolarHBondContact O-N 2.69Å; D188-T190 VanDerWaalsContact C-N 3.27Å; D188-T190 PolarHBondContact O-N 3.17Å; D188-T190 VanDerWaalsContact OD1-CB 3.29Å; D188-T190 WeakPolarHBondContact OD1-CB 2.75Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.34Å; D188-T190 PolarHBondContact OD1-N 3.4Å; D188-T190 PolarHBondContact OD1-OG1 3.41Å; D188-N191 WeakPolarHBondContact O-CA 3.42Å; D188-N191 PolarHBondContact O-N 2.82Å; D188-E194 HydrophobicContact CB-CB 4.41Å; D188-E194 PolarHBondContact N-O 2.75Å; D188-E196 HydrophobicContact CB-CG 4.24Å; D188-K1072 IonicContact OD1-NZ 3.47Å; D188-K1072 IonicContact OD2-NZ 3.34Å; D188-K1072 PolarHBondContact OD2-NZ 2.9Å |
| 189 | K | 82.9 | Confident | 85.1 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -33.1 | -179.5 | -177.8 | -177.8 | 179.1 | -176.8 | 0 | 114.7 | N191 S252 K253 F296 L297 L318 E1070 | K189-N191 PolarHBondContact O-N 3.44Å; K189-S252 WeakPolarHBondContact CB-OG 3.49Å; K189-S252 WeakPolarHBondContact CD-O 3.02Å; K189-S252 PolarHBondContact N-OG 3.27Å; K189-K253 HydrophobicContact CB-CG 4.38Å; K189-F296 HydrophobicContact CG-CD2 4.41Å; K189-F296 HydrophobicContact CG-CE2 3.97Å; K189-L297 WeakPolarHBondContact CE-O 3.43Å; K189-L297 PolarHBondContact NZ-O 3.38Å; K189-L318 HydrophobicContact CD-CD1 4.36Å; K189-L318 HydrophobicContact CG-CD1 4.3Å; K189-L318 HydrophobicContact CG-CD2 4.43Å; K189-E1070 IonicContact NZ-OE1 3.77Å; K189-E1070 PolarHBondContact NZ-OE1 3.19Å |
| 190 | T | 74.4 | Confident | 85.4 | Confident | 11 Ų | 11 | 23.5 Ų | 23.5 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -10.4 | 174.9 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | D188 H192 Y313 L318 | D188-T190 VanDerWaalsContact C-N 3.27Å; D188-T190 PolarHBondContact O-N 3.17Å; D188-T190 VanDerWaalsContact OD1-CB 3.29Å; D188-T190 WeakPolarHBondContact OD1-CB 2.75Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.34Å; D188-T190 PolarHBondContact OD1-N 3.4Å; D188-T190 PolarHBondContact OD1-OG1 3.41Å; T190-H192 VanDerWaalsContact C-N 3.26Å; T190-H192 VanDerWaalsContact CB-CD2 3.45Å; T190-H192 WeakPolarHBondContact CB-CD2 3.35Å; T190-H192 PolarHBondContact O-N 3.01Å; T190-H192 PolarHBondContact OG1-CD2 2.9Å; T190-Y313 PolarHBondContact O-N 3.19Å; T190-L318 HydrophobicContact CG2-CD1 3.78Å |
| 191 | N | 73.9 | Confident | 85.6 | Confident | 11 Ų | 11 | 23.6 Ų | 23.6 | 6% | 0.059 | 12% | 0.12 | C | C | . | . | trans | 63.9 | 17.7 | -178.7 | -160.7 | 26.9 | 0 | 0 | 0 | 114.4 | R186 D188 K189 G193 L311 Y312 | R186-N191 VanDerWaalsContact CA-OD1 3.24Å; R186-N191 WeakPolarHBondContact CA-OD1 3.42Å; R186-N191 HydrophobicContact CB-CB 4.41Å; R186-N191 WeakPolarHBondContact CB-OD1 3.23Å; R186-N191 HydrophobicContact CG-CB 4.41Å; R186-N191 VanDerWaalsContact CG-OD1 3.23Å; R186-N191 WeakPolarHBondContact CG-OD1 3.39Å; D188-N191 WeakPolarHBondContact O-CA 3.42Å; D188-N191 PolarHBondContact O-N 2.82Å; K189-N191 PolarHBondContact O-N 3.44Å; N191-G193 PolarHBondContact O-N 2.9Å; N191-L311 PolarHBondContact ND2-O 3.25Å; N191-Y312 WeakPolarHBondContact O-CD1 3.46Å; N191-Y312 WeakPolarHBondContact O-CE1 3.38Å | ||
| 192 | H | 74.7 | Confident | 85.8 | Confident | 76 Ų | 76 | 22 Ų | 22 | 35% | 0.352 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -66.4 | 13.1 | -176.7 | -68.6 | -51.8 | 0 | 0 | 0 | 116.4 | T190 Y313 | T190-H192 VanDerWaalsContact C-N 3.26Å; T190-H192 VanDerWaalsContact CB-CD2 3.45Å; T190-H192 WeakPolarHBondContact CB-CD2 3.35Å; T190-H192 PolarHBondContact O-N 3.01Å; T190-H192 PolarHBondContact OG1-CD2 2.9Å; H192-Y313 PolarHBondContact CE1-O 2.71Å |
| 193 | G | 73.4 | Confident | 86 | Confident | 22 Ų | 22 | 21.9 Ų | 21.9 | 23% | 0.227 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 85.9 | 7.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y181 N191 | Y181-G193 VanDerWaalsContact CE1-O 3.3Å; Y181-G193 WeakPolarHBondContact CE1-O 3.23Å; Y181-G193 PolarHBondContact OH-O 3.16Å; N191-G193 PolarHBondContact O-N 2.9Å |
| 194 | E | 81.5 | Confident | 86.2 | Confident | 133 Ų | 133 | 21.7 Ų | 21.7 | 62% | 0.621 | 11% | 0.112 | S | C | * | . | trans | -88 | 123.1 | 177.3 | -68.3 | -88.6 | 138.9 | 0 | 0 | 110.5 | G187 D188 | G187-E194 CarbonylContact C-O 3.43Å; G187-E194 WeakPolarHBondContact CA-O 3.36Å; D188-E194 HydrophobicContact CB-CB 4.41Å; D188-E194 PolarHBondContact N-O 2.75Å | ||
| 195 | P | 87.3 | Confident | 86.5 | Confident | 39 Ų | 39 | 20.6 Ų | 20.6 | 25% | 0.253 | 11% | 0.107 | S | C | . | . | trans | -72.6 | 152.6 | 175.8 | 31.2 | -34.8 | 0 | 0 | 0 | 111.8 | P108 P179 D180 | P108-P195 HydrophobicContact CG-CG 4.35Å; P179-P195 HydrophobicContact CB-CB 3.95Å; P179-P195 HydrophobicContact CB-CG 4.2Å; D180-P195 WeakPolarHBondContact O-CA 3.37Å | ||
| 196 | E | 86.9 | Confident | 86.9 | Confident | 20 Ų | 20 | 18.5 Ų | 18.5 | 9% | 0.093 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -133.4 | 158.1 | 177.4 | -71.4 | -167.9 | 137.5 | 0 | 0 | 111.1 | P179 D180 D188 N198 S250 S252 K253 | P179-E196 CarbonylContact C-O 3.39Å; P179-E196 WeakPolarHBondContact CA-O 3.47Å; D180-E196 PolarHBondContact N-O 3.16Å; D180-E196 PolarHBondContact O-N 3.45Å; D180-E196 VanDerWaalsContact O-O 3.08Å; D188-E196 HydrophobicContact CB-CG 4.24Å; E196-N198 PolarHBondContact O-N 3.04Å; E196-N198 PolarHBondContact O-ND2 2.79Å; E196-S250 VanDerWaalsContact OE2-CB 3.29Å; E196-S250 WeakPolarHBondContact OE2-CB 3.46Å; E196-S250 PolarHBondContact OE2-OG 3.3Å; E196-S252 VanDerWaalsContact OE1-CB 3.27Å; E196-S252 WeakPolarHBondContact OE1-CB 3.22Å; E196-S252 PolarHBondContact OE1-N 2.98Å; E196-S252 PolarHBondContact OE1-OG 3.05Å; E196-S252 VanDerWaalsContact OE1-OG 3.12Å; E196-S252 PolarHBondContact OE2-OG 3.38Å; E196-K253 IonicContact OE2-NZ 2.89Å |
| 197 | L | 87.7 | Confident | 87.6 | Confident | 31 Ų | 31 | 17.6 Ų | 17.6 | 16% | 0.162 | 9% | 0.094 | C | C | . | . | trans | -72.5 | 110.9 | 171 | -165.7 | 70.5 | 0 | 0 | 0 | 109.3 | I202 V241 M245 S250 | L197-I202 HydrophobicContact CD1-CD1 3.8Å; L197-I202 HydrophobicContact CD1-CG1 4.29Å; L197-I202 HydrophobicContact CD2-CD1 3.98Å; L197-I202 HydrophobicContact CG-CD1 3.59Å; L197-V241 HydrophobicContact CD2-CG1 4.26Å; L197-M245 HydrophobicContact CD2-SD 4.12Å; L197-M245 HydrophobicContact CG-SD 4.42Å; L197-M245 WeakPolarHBondContact O-CE 3.29Å; L197-S250 WeakPolarHBondContact O-CB 3.37Å | ||
| 198 | N | 91.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | trans | -104.6 | 123.6 | -175.4 | -68.3 | -58.5 | 0 | 0 | 0 | 111.2 | D180 G182 E196 S200 S201 I202 E249 K253 | D180-N198 PolarHBondContact O-ND2 2.85Å; D180-N198 PolarHBondContact OD1-ND2 3.17Å; G182-N198 VanDerWaalsContact CA-ND2 3.25Å; G182-N198 WeakPolarHBondContact CA-ND2 3.43Å; G182-N198 PolarHBondContact N-ND2 3.29Å; G182-N198 VanDerWaalsContact N-ND2 3.17Å; E196-N198 PolarHBondContact O-N 3.04Å; E196-N198 PolarHBondContact O-ND2 2.79Å; N198-S200 PolarHBondContact O-N 2.71Å; N198-S201 PolarHBondContact O-N 3.06Å; N198-I202 WeakPolarHBondContact O-CG1 2.88Å; N198-I202 PolarHBondContact O-N 2.95Å; N198-I202 VanDerWaalsContact O-N 3.11Å; N198-E249 VanDerWaalsContact CB-OE1 3.29Å; N198-E249 WeakPolarHBondContact CB-OE1 3.39Å; N198-K253 PolarHBondContact OD1-NZ 3.48Å | ||
| 199 | A | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.5 | -32.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I202 G203 L242 M245 L246 E249 L259 | A199-I202 PolarHBondContact O-N 2.87Å; A199-G203 PolarHBondContact O-N 3.32Å; A199-L242 HydrophobicContact CB-CD1 4.19Å; A199-M245 HydrophobicContact CB-CB 4.22Å; A199-M245 HydrophobicContact CB-CE 3.99Å; A199-M245 HydrophobicContact CB-SD 4.34Å; A199-L246 HydrophobicContact CB-CD2 4.4Å; A199-E249 PolarHBondContact N-O 2.97Å; A199-E249 PolarHBondContact N-OE1 3.17Å; A199-L259 HydrophobicContact CB-CD2 3.89Å |
| 200 | S | 95.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 172.8 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | N198 M204 E249 | N198-S200 PolarHBondContact O-N 2.71Å; S200-M204 WeakPolarHBondContact O-CB 3.49Å; S200-M204 PolarHBondContact O-N 3.47Å; S200-M204 VanDerWaalsContact O-N 3.07Å; S200-E249 VanDerWaalsContact CB-OE1 3.25Å; S200-E249 WeakPolarHBondContact CB-OE1 3.15Å; S200-E249 PolarHBondContact N-OE1 3.34Å; S200-E249 PolarHBondContact N-OE2 2.8Å; S200-E249 VanDerWaalsContact N-OE2 3.17Å; S200-E249 PolarHBondContact OG-OE1 2.83Å |
| 201 | S | 95.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.5 | -45.8 | 177.4 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | D180 N198 G203 M204 A205 | D180-S201 VanDerWaalsContact CG-OG 3.3Å; D180-S201 PolarHBondContact OD1-OG 2.89Å; D180-S201 VanDerWaalsContact OD2-CB 3.3Å; D180-S201 WeakPolarHBondContact OD2-CB 3.24Å; D180-S201 PolarHBondContact OD2-OG 3.31Å; N198-S201 PolarHBondContact O-N 3.06Å; S201-G203 VanDerWaalsContact C-N 3.34Å; S201-G203 PolarHBondContact O-N 3.33Å; S201-M204 PolarHBondContact O-N 2.8Å; S201-A205 WeakPolarHBondContact O-CB 3.31Å; S201-A205 PolarHBondContact O-N 3.19Å |
| 202 | I | 94.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 178.4 | -64.4 | 157.9 | 0 | 0 | 0 | 111 | L197 N198 A199 A205 K206 C238 V241 L242 M245 | L197-I202 HydrophobicContact CD1-CD1 3.8Å; L197-I202 HydrophobicContact CD1-CG1 4.29Å; L197-I202 HydrophobicContact CD2-CD1 3.98Å; L197-I202 HydrophobicContact CG-CD1 3.59Å; N198-I202 WeakPolarHBondContact O-CG1 2.88Å; N198-I202 PolarHBondContact O-N 2.95Å; N198-I202 VanDerWaalsContact O-N 3.11Å; A199-I202 PolarHBondContact O-N 2.87Å; I202-A205 PolarHBondContact O-N 2.98Å; I202-K206 WeakPolarHBondContact O-CB 3.17Å; I202-K206 PolarHBondContact O-N 3.07Å; I202-C238 HydrophobicContact CG2-CB 3.94Å; I202-C238 WeakPolarHBondContact CG2-O 3.21Å; I202-V241 HydrophobicContact CD1-CG1 3.49Å; I202-V241 VanDerWaalsContact CD1-CG1 3.49Å; I202-V241 HydrophobicContact CG1-CG1 4.49Å; I202-V241 HydrophobicContact CG2-CB 4.33Å; I202-V241 HydrophobicContact CG2-CG1 4.25Å; I202-L242 HydrophobicContact CG2-CB 4.35Å; I202-M245 HydrophobicContact CD1-SD 3.6Å |
| 203 | G | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A199 S201 A207 A269 | A199-G203 PolarHBondContact O-N 3.32Å; S201-G203 VanDerWaalsContact C-N 3.34Å; S201-G203 PolarHBondContact O-N 3.33Å; G203-A207 PolarHBondContact O-N 3.1Å; G203-A207 VanDerWaalsContact O-N 3.11Å; G203-A269 WeakPolarHBondContact O-CB 3.36Å |
| 204 | M | 97.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.02 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 175.8 | -163.5 | 62.3 | 66.3 | 0 | 0 | 111.8 | D136 L140 L143 S200 S201 A207 A208 C261 P266 A267 | D136-M204 WeakPolarHBondContact O-CG 3.22Å; L140-M204 HydrophobicContact CB-CG 4.06Å; L140-M204 HydrophobicContact CB-SD 4.13Å; L140-M204 HydrophobicContact CD1-CE 4.11Å; L140-M204 HydrophobicContact CD1-SD 3.93Å; L143-M204 HydrophobicContact CD2-SD 3.7Å; S200-M204 WeakPolarHBondContact O-CB 3.49Å; S200-M204 PolarHBondContact O-N 3.47Å; S200-M204 VanDerWaalsContact O-N 3.07Å; S201-M204 PolarHBondContact O-N 2.8Å; M204-A207 PolarHBondContact O-N 2.95Å; M204-A208 WeakPolarHBondContact O-CB 3.34Å; M204-A208 PolarHBondContact O-N 3.01Å; M204-C261 HydrophobicContact CE-CB 4.45Å; M204-P266 HydrophobicContact CE-CG 4.26Å; M204-A267 HydrophobicContact CE-CB 4.3Å; M204-A267 HydrophobicContact SD-CB 4.13Å |
| 205 | A | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I135 S139 A175 S201 I202 A207 A208 L209 | I135-A205 HydrophobicContact CG2-CB 4.14Å; S139-A205 VanDerWaalsContact OG-CA 3.28Å; S139-A205 WeakPolarHBondContact OG-CA 3.48Å; S139-A205 WeakPolarHBondContact OG-CB 3.01Å; A175-A205 HydrophobicContact CB-CB 3.4Å; A175-A205 VanDerWaalsContact CB-CB 3.4Å; S201-A205 WeakPolarHBondContact O-CB 3.31Å; S201-A205 PolarHBondContact O-N 3.19Å; I202-A205 PolarHBondContact O-N 2.98Å; A205-A207 VanDerWaalsContact C-N 3.28Å; A205-A207 PolarHBondContact O-N 3.32Å; A205-A208 PolarHBondContact O-N 3.41Å; A205-L209 WeakPolarHBondContact O-CB 3.4Å; A205-L209 VanDerWaalsContact O-CG 3.25Å; A205-L209 WeakPolarHBondContact O-CG 3.49Å; A205-L209 PolarHBondContact O-N 3.47Å |
| 206 | K | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -52.9 | -49.2 | 173.1 | -175.3 | -163.6 | 164.3 | -167.6 | 0 | 110.7 | I202 A208 L209 E210 C238 Q239 A269 D271 | I202-K206 WeakPolarHBondContact O-CB 3.17Å; I202-K206 PolarHBondContact O-N 3.07Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 3.45Å; K206-L209 PolarHBondContact O-N 2.92Å; K206-E210 WeakPolarHBondContact CE-OE1 3.35Å; K206-E210 IonicContact NZ-OE1 3.7Å; K206-E210 WeakPolarHBondContact O-CG 3.2Å; K206-E210 PolarHBondContact O-N 3.36Å; K206-C238 HydrophobicContact CB-CB 3.81Å; K206-C238 HydrophobicContact CG-CB 4.25Å; K206-Q239 HydrophobicContact CD-CB 3.88Å; K206-Q239 HydrophobicContact CD-CG 4.43Å; K206-A269 HydrophobicContact CD-CB 4.35Å; K206-A269 WeakPolarHBondContact CD-O 3.46Å; K206-A269 WeakPolarHBondContact CE-O 3.46Å; K206-A269 PolarHBondContact NZ-O 3.06Å; K206-D271 IonicContact NZ-OD1 3.9Å; K206-D271 IonicContact NZ-OD2 2.97Å; K206-D271 PolarHBondContact NZ-OD2 3.44Å |
| 207 | A | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L143 G203 M204 A205 A211 A267 A269 R428 | L143-A207 HydrophobicContact CD1-CB 4.32Å; L143-A207 HydrophobicContact CD2-CB 4.13Å; G203-A207 PolarHBondContact O-N 3.1Å; G203-A207 VanDerWaalsContact O-N 3.11Å; M204-A207 PolarHBondContact O-N 2.95Å; A205-A207 VanDerWaalsContact C-N 3.28Å; A205-A207 PolarHBondContact O-N 3.32Å; A207-A211 WeakPolarHBondContact O-CB 3.06Å; A207-A211 PolarHBondContact O-N 3.19Å; A207-A267 HydrophobicContact CB-CB 3.7Å; A207-A267 WeakPolarHBondContact CB-O 3.24Å; A207-A269 HydrophobicContact CB-CB 4.37Å; A207-R428 VanDerWaalsContact CA-NH2 3.28Å; A207-R428 PolarHBondContact O-NH1 2.87Å |
| 208 | A | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.1 | -48.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | S139 L142 L143 I172 M204 A205 K206 E210 A211 M212 | S139-A208 VanDerWaalsContact O-CB 3.29Å; S139-A208 WeakPolarHBondContact O-CB 3.46Å; L142-A208 HydrophobicContact CB-CB 4.06Å; L143-A208 HydrophobicContact CB-CB 4.32Å; I172-A208 HydrophobicContact CD1-CB 3.69Å; M204-A208 WeakPolarHBondContact O-CB 3.34Å; M204-A208 PolarHBondContact O-N 3.01Å; A205-A208 PolarHBondContact O-N 3.41Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 3.45Å; A208-E210 VanDerWaalsContact C-N 3.34Å; A208-E210 PolarHBondContact O-N 2.94Å; A208-A211 PolarHBondContact O-N 3.05Å; A208-A211 VanDerWaalsContact O-N 3.16Å; A208-M212 WeakPolarHBondContact O-CB 3.41Å; A208-M212 WeakPolarHBondContact O-CG 3.46Å; A208-M212 PolarHBondContact O-N 2.64Å |
| 209 | L | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.9 | -46.2 | 178.5 | -71.1 | 173.4 | 0 | 0 | 0 | 111.8 | V169 I172 E173 A205 K206 N213 V230 A235 | V169-L209 HydrophobicContact CG1-CD2 3.87Å; I172-L209 HydrophobicContact CD1-CD2 4Å; I172-L209 HydrophobicContact CD1-CG 4.06Å; I172-L209 HydrophobicContact CG1-CD2 3.95Å; I172-L209 HydrophobicContact CG1-CG 4.39Å; E173-L209 HydrophobicContact CB-CD2 4.36Å; A205-L209 WeakPolarHBondContact O-CB 3.4Å; A205-L209 VanDerWaalsContact O-CG 3.25Å; A205-L209 WeakPolarHBondContact O-CG 3.49Å; A205-L209 PolarHBondContact O-N 3.47Å; K206-L209 PolarHBondContact O-N 2.92Å; L209-N213 PolarHBondContact O-N 2.96Å; L209-V230 HydrophobicContact CB-CG1 4.08Å; L209-V230 HydrophobicContact CD2-CG1 3.83Å; L209-V230 HydrophobicContact CG-CG1 4.49Å; L209-V230 WeakPolarHBondContact O-CG2 3.14Å; L209-A235 HydrophobicContact CB-CB 4.16Å |
| 210 | E | 93.8 | Very high | 93.8 | Very high | 47 Ų | 47 | 21.8 Ų | 21.8 | 22% | 0.22 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.2 | -37.2 | 176.8 | -73.8 | 176.9 | 163.9 | 0 | 0 | 112.8 | K206 A208 A235 R428 H556 | K206-E210 WeakPolarHBondContact CE-OE1 3.35Å; K206-E210 IonicContact NZ-OE1 3.7Å; K206-E210 WeakPolarHBondContact O-CG 3.2Å; K206-E210 PolarHBondContact O-N 3.36Å; A208-E210 VanDerWaalsContact C-N 3.34Å; A208-E210 PolarHBondContact O-N 2.94Å; E210-A235 HydrophobicContact CG-CB 4.14Å; E210-R428 IonicContact OE2-CZ 2.88Å; E210-R428 IonicContact OE2-NH1 2.73Å; E210-R428 PolarHBondContact OE2-NH1 2.87Å; E210-R428 IonicContact OE2-NH2 3.26Å; E210-R428 PolarHBondContact OE2-NH2 2.97Å; E210-H556 IonicContact OE1-CD2 3.96Å |
| 211 | A | 94.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.7 | -30.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L143 A146 A207 A208 L426 | L143-A211 HydrophobicContact CD1-CB 3.66Å; A146-A211 HydrophobicContact CB-CB 3.85Å; A207-A211 WeakPolarHBondContact O-CB 3.06Å; A207-A211 PolarHBondContact O-N 3.19Å; A208-A211 PolarHBondContact O-N 3.05Å; A208-A211 VanDerWaalsContact O-N 3.16Å; A211-L426 HydrophobicContact CB-CD1 3.78Å |
| 212 | M | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -83.2 | -20 | -179.8 | -67.7 | -64.4 | -61.8 | 0 | 0 | 112.9 | L142 A146 I165 V169 A208 E214 L215 L217 I228 V230 | L142-M212 HydrophobicContact CB-CG 4.19Å; L142-M212 HydrophobicContact CB-SD 4.28Å; L142-M212 HydrophobicContact CD2-CE 4.25Å; L142-M212 HydrophobicContact CD2-SD 4.44Å; A146-M212 HydrophobicContact CB-SD 3.88Å; I165-M212 HydrophobicContact CG2-CE 3.4Å; V169-M212 HydrophobicContact CG2-CB 4.34Å; A208-M212 WeakPolarHBondContact O-CB 3.41Å; A208-M212 WeakPolarHBondContact O-CG 3.46Å; A208-M212 PolarHBondContact O-N 2.64Å; M212-E214 PolarHBondContact O-N 3.4Å; M212-L215 WeakPolarHBondContact O-CB 3.48Å; M212-L215 PolarHBondContact O-N 3.32Å; M212-L215 HydrophobicContact SD-CD2 4.19Å; M212-L217 HydrophobicContact CE-CD2 4.11Å; M212-I228 HydrophobicContact CB-CG2 4.07Å; M212-I228 HydrophobicContact CE-CB 4.29Å; M212-I228 HydrophobicContact CE-CG1 3.91Å; M212-I228 HydrophobicContact CE-CG2 4.09Å; M212-I228 WeakPolarHBondContact O-CB 3.36Å; M212-V230 HydrophobicContact CB-CG2 4.37Å |
| 213 | N | 92.4 | Very high | 92.2 | Very high | 48 Ų | 48 | 34.3 Ų | 34.3 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 126.1 | -177.4 | -174.2 | 52.7 | 0 | 0 | 0 | 112 | L209 L215 V230 | L209-N213 PolarHBondContact O-N 2.96Å; N213-L215 PolarHBondContact O-N 3.49Å; N213-V230 HydrophobicContact CB-CB 3.97Å; N213-V230 HydrophobicContact CB-CG2 4.06Å; N213-V230 PolarHBondContact OD1-N 2.93Å; N213-V230 PolarHBondContact OD1-O 3.48Å; N213-V230 VanDerWaalsContact OD1-O 3.13Å |
| 214 | E | 89.6 | Confident | 91.6 | Very high | 103 Ų | 103 | 38 Ų | 38 | 48% | 0.481 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 19 | -179 | -60.4 | 176.5 | -179.8 | 0 | 0 | 113.6 | M212 I228 | M212-E214 PolarHBondContact O-N 3.4Å; E214-I228 WeakPolarHBondContact CA-O 3.04Å; E214-I228 PolarHBondContact N-O 3.36Å |
| 215 | L | 92.7 | Very high | 91.1 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | trans | -83.2 | 127.4 | 175.4 | -177 | 75.1 | 0 | 0 | 0 | 110.8 | A146 M212 N213 L217 V227 I228 | A146-L215 HydrophobicContact CB-CD2 3.66Å; M212-L215 WeakPolarHBondContact O-CB 3.48Å; M212-L215 PolarHBondContact O-N 3.32Å; M212-L215 HydrophobicContact SD-CD2 4.19Å; N213-L215 PolarHBondContact O-N 3.49Å; L215-L217 HydrophobicContact CD2-CD2 4.04Å; L215-V227 WeakPolarHBondContact O-CA 3.5Å; L215-I228 PolarHBondContact O-N 3.45Å | ||
| 216 | D | 94.3 | Very high | 90.8 | Very high | 35 Ų | 35 | 40 Ų | 40 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -83.6 | 113.8 | 168.2 | -168.3 | -24.3 | 0 | 0 | 0 | 111 | T149 F218 G219 G222 G223 S226 V227 | T149-D216 WeakPolarHBondContact CG2-O 3.41Å; D216-F218 PolarHBondContact O-N 2.96Å; D216-F218 PolarHBondContact OD1-N 3.05Å; D216-G219 PolarHBondContact O-N 3.32Å; D216-G222 WeakPolarHBondContact OD2-CA 3.26Å; D216-G223 PolarHBondContact OD2-N 3.32Å; D216-S226 WeakPolarHBondContact OD1-CB 3.31Å; D216-S226 PolarHBondContact OD1-OG 3.05Å; D216-S226 PolarHBondContact OD2-OG 3.13Å; D216-V227 HydrophobicContact CB-CG2 4.29Å |
| 217 | L | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.5 | -177.9 | -70.3 | 178.2 | 0 | 0 | 0 | 114.3 | L145 V156 V162 I165 M212 L215 G219 S226 I228 | L145-L217 HydrophobicContact CD2-CD2 4.34Å; V156-L217 HydrophobicContact CB-CB 4.17Å; V156-L217 HydrophobicContact CG1-CB 4.4Å; V156-L217 HydrophobicContact CG2-CB 4.18Å; V156-L217 HydrophobicContact CG2-CD1 4.41Å; V156-L217 HydrophobicContact CG2-CD2 4.37Å; V162-L217 HydrophobicContact CB-CD1 4.3Å; V162-L217 HydrophobicContact CG1-CD1 4.21Å; V162-L217 HydrophobicContact CG2-CB 4.23Å; V162-L217 HydrophobicContact CG2-CD1 4.02Å; I165-L217 HydrophobicContact CB-CD1 4.02Å; I165-L217 HydrophobicContact CD1-CD1 3.69Å; I165-L217 HydrophobicContact CG1-CD1 4.47Å; I165-L217 HydrophobicContact CG2-CD1 3.87Å; M212-L217 HydrophobicContact CE-CD2 4.11Å; L215-L217 HydrophobicContact CD2-CD2 4.04Å; L217-G219 VanDerWaalsContact C-N 3.33Å; L217-S226 PolarHBondContact N-O 3.23Å; L217-I228 HydrophobicContact CD1-CD1 3.7Å; L217-I228 HydrophobicContact CD1-CG1 3.56Å; L217-I228 HydrophobicContact CD2-CG1 4.44Å; L217-I228 HydrophobicContact CG-CD1 4.47Å; L217-I228 HydrophobicContact CG-CG1 3.82Å |
| 218 | F | 93.5 | Very high | 90.6 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 5.4 | 171.1 | -63.1 | -22.2 | 0 | 0 | 0 | 112.5 | V156 L159 V162 D216 R221 S226 | V156-F218 HydrophobicContact CB-CD1 4.49Å; V156-F218 HydrophobicContact CB-CE1 4.39Å; V156-F218 HydrophobicContact CG1-CE1 4.02Å; V156-F218 WeakPolarHBondContact O-CD1 3.48Å; L159-F218 HydrophobicContact CD2-CE2 3.94Å; L159-F218 HydrophobicContact CD2-CZ 4.21Å; V162-F218 HydrophobicContact CG2-CE1 4.18Å; V162-F218 HydrophobicContact CG2-CZ 4.18Å; D216-F218 PolarHBondContact O-N 2.96Å; D216-F218 PolarHBondContact OD1-N 3.05Å; F218-R221 PolarHBondContact O-N 3Å; F218-S226 VanDerWaalsContact CD2-CB 3.45Å |
| 219 | G | 88 | Confident | 90.3 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | 60.1 | -138.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D216 L217 R221 G222 | D216-G219 PolarHBondContact O-N 3.32Å; L217-G219 VanDerWaalsContact C-N 3.33Å; G219-R221 PolarHBondContact O-N 2.95Å; G219-G222 PolarHBondContact O-N 3.39Å |
| 220 | A | 81.9 | Confident | 90.1 | Very high | 117 Ų | 117 | 42.7 Ų | 42.7 | 97% | 0.967 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -64.7 | -6.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 221 | R | 82.3 | Confident | 89.8 | Confident | 209 Ų | 209 | 40.8 Ų | 40.8 | 79% | 0.789 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -105.7 | -0.8 | -178.6 | -63.7 | -178.6 | -179 | 173.2 | 0.3 | 113.3 | F218 G219 | F218-R221 PolarHBondContact O-N 3Å; G219-R221 PolarHBondContact O-N 2.95Å |
| 222 | G | 83 | Confident | 89.4 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | trans | -83.1 | -177.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | D216 G219 S226 | D216-G222 WeakPolarHBondContact OD2-CA 3.26Å; G219-G222 PolarHBondContact O-N 3.39Å; G222-S226 WeakPolarHBondContact CA-OG 3.33Å | ||
| 223 | G | 85.1 | Confident | 88.9 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | trans | -143.9 | -174.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D216 A225 S226 | D216-G223 PolarHBondContact OD2-N 3.32Å; G223-A225 PolarHBondContact O-N 3.15Å; G223-S226 PolarHBondContact N-OG 3.49Å; G223-S226 PolarHBondContact O-N 2.92Å; G223-S226 PolarHBondContact O-OG 2.89Å | ||
| 224 | P | 84.4 | Confident | 88.6 | Confident | 77 Ų | 77 | 39.7 Ų | 39.7 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -58.6 | -27.5 | -172.8 | -22 | 30.9 | 0 | 0 | 0 | 114.2 | S226 S616 | P224-S226 VanDerWaalsContact C-N 3.33Å; P224-S226 PolarHBondContact O-N 3.19Å; P224-S616 WeakPolarHBondContact CB-OG 3.44Å |
| 225 | A | 85.9 | Confident | 88.5 | Confident | 44 Ų | 44 | 35.2 Ų | 35.2 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -74.3 | -15.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | L159 G223 T621 | L159-A225 HydrophobicContact CD1-CB 4.49Å; L159-A225 HydrophobicContact CD2-CB 4.05Å; G223-A225 PolarHBondContact O-N 3.15Å; A225-T621 HydrophobicContact CB-CG2 4.05Å |
| 226 | S | 91.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -100.2 | 2.6 | 177.2 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | D216 L217 F218 G222 G223 P224 | D216-S226 WeakPolarHBondContact OD1-CB 3.31Å; D216-S226 PolarHBondContact OD1-OG 3.05Å; D216-S226 PolarHBondContact OD2-OG 3.13Å; L217-S226 PolarHBondContact N-O 3.23Å; F218-S226 VanDerWaalsContact CD2-CB 3.45Å; G222-S226 WeakPolarHBondContact CA-OG 3.33Å; G223-S226 PolarHBondContact N-OG 3.49Å; G223-S226 PolarHBondContact O-N 2.92Å; G223-S226 PolarHBondContact O-OG 2.89Å; P224-S226 VanDerWaalsContact C-N 3.33Å; P224-S226 PolarHBondContact O-N 3.19Å |
| 227 | V | 92.9 | Very high | 87.6 | Confident | 33 Ų | 33 | 35.2 Ų | 35.2 | 20% | 0.2 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -83.4 | 133.4 | 178 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | L215 D216 H229 | L215-V227 WeakPolarHBondContact O-CA 3.5Å; D216-V227 HydrophobicContact CB-CG2 4.29Å; V227-H229 PolarHBondContact O-CD2 2.9Å |
| 228 | I | 94.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -89.4 | 134.8 | 173.5 | -63.1 | -64.8 | 0 | 0 | 0 | 109.9 | V162 I165 Q166 V169 M212 E214 L215 L217 V230 | V162-I228 HydrophobicContact CG1-CD1 3.99Å; I165-I228 HydrophobicContact CG2-CD1 4.16Å; I165-I228 HydrophobicContact CG2-CG1 4.44Å; Q166-I228 HydrophobicContact CB-CD1 3.84Å; V169-I228 HydrophobicContact CG2-CG2 3.91Å; M212-I228 HydrophobicContact CB-CG2 4.07Å; M212-I228 HydrophobicContact CE-CB 4.29Å; M212-I228 HydrophobicContact CE-CG1 3.91Å; M212-I228 HydrophobicContact CE-CG2 4.09Å; M212-I228 WeakPolarHBondContact O-CB 3.36Å; E214-I228 WeakPolarHBondContact CA-O 3.04Å; E214-I228 PolarHBondContact N-O 3.36Å; L215-I228 PolarHBondContact O-N 3.45Å; L217-I228 HydrophobicContact CD1-CD1 3.7Å; L217-I228 HydrophobicContact CD1-CG1 3.56Å; L217-I228 HydrophobicContact CD2-CG1 4.44Å; L217-I228 HydrophobicContact CG-CD1 4.47Å; L217-I228 HydrophobicContact CG-CG1 3.82Å; I228-V230 HydrophobicContact CG2-CG2 4.39Å | ||
| 229 | H | 91.9 | Very high | 86.9 | Confident | 16 Ų | 16 | 34.2 Ų | 34.2 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | trans | -114.3 | 132.5 | -179.5 | -61.3 | -84.7 | 0 | 0 | 0 | 110.6 | Q166 V227 L486 F617 | Q166-H229 PolarHBondContact NE2-O 3.36Å; Q166-H229 PolarHBondContact OE1-O 2.95Å; V227-H229 PolarHBondContact O-CD2 2.9Å; H229-L486 HydrophobicContact CB-CD1 4.17Å; H229-L486 HydrophobicContact CB-CD2 3.82Å; H229-F617 AromaticContact CD2-CD1 3.9Å; H229-F617 AromaticContact NE2-CD1 3.84Å | ||
| 230 | V | 91.3 | Very high | 86.6 | Confident | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | trans | -128.3 | 135.4 | 176.5 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | V169 L209 M212 N213 I228 A232 | V169-V230 HydrophobicContact CG1-CG1 4.38Å; V169-V230 HydrophobicContact CG1-CG2 3.8Å; L209-V230 HydrophobicContact CB-CG1 4.08Å; L209-V230 HydrophobicContact CD2-CG1 3.83Å; L209-V230 HydrophobicContact CG-CG1 4.49Å; L209-V230 WeakPolarHBondContact O-CG2 3.14Å; M212-V230 HydrophobicContact CB-CG2 4.37Å; N213-V230 HydrophobicContact CB-CB 3.97Å; N213-V230 HydrophobicContact CB-CG2 4.06Å; N213-V230 PolarHBondContact OD1-N 2.93Å; N213-V230 PolarHBondContact OD1-O 3.48Å; N213-V230 VanDerWaalsContact OD1-O 3.13Å; I228-V230 HydrophobicContact CG2-CG2 4.39Å; V230-A232 PolarHBondContact O-N 2.68Å | ||
| 231 | L | 87.6 | Confident | 86.6 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | trans | -73.7 | 126.1 | 171.4 | -67.2 | -160.7 | 0 | 0 | 0 | 110.1 | D233 E234 Y483 R497 V502 | L231-D233 PolarHBondContact O-N 3.21Å; L231-D233 VanDerWaalsContact O-N 3.16Å; L231-E234 HydrophobicContact CB-CG 4.28Å; L231-E234 PolarHBondContact O-N 3.43Å; L231-E234 VanDerWaalsContact O-N 3.1Å; L231-Y483 HydrophobicContact CD2-CD1 4.08Å; L231-Y483 HydrophobicContact CD2-CD2 4.27Å; L231-Y483 HydrophobicContact CD2-CE1 3.62Å; L231-Y483 HydrophobicContact CD2-CE2 3.81Å; L231-Y483 HydrophobicContact CD2-CG 4.39Å; L231-Y483 VanDerWaalsContact CD2-CZ 3.46Å; L231-R497 VanDerWaalsContact CD1-NH1 3.31Å; L231-R497 VanDerWaalsContact CD1-NH2 3.25Å; L231-V502 HydrophobicContact CD1-CG2 4.17Å | ||
| 232 | A | 85.6 | Confident | 86.8 | Confident | 19 Ų | 19 | 18.1 Ų | 18.1 | 16% | 0.157 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.8 | -28.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | V230 E234 H236 L505 M557 | V230-A232 PolarHBondContact O-N 2.68Å; A232-E234 VanDerWaalsContact C-N 3.31Å; A232-E234 PolarHBondContact O-N 3.01Å; A232-H236 WeakPolarHBondContact O-CB 3.35Å; A232-H236 PolarHBondContact O-N 3.18Å; A232-H236 VanDerWaalsContact O-N 3.09Å; A232-L505 HydrophobicContact CB-CB 4.04Å; A232-L505 HydrophobicContact CB-CD1 4.12Å; A232-M557 HydrophobicContact CB-CE 4.09Å; A232-M557 HydrophobicContact CB-SD 3.81Å |
| 233 | D | 84.8 | Confident | 87 | Confident | 8 Ų | 8 | 20.7 Ų | 20.7 | 4% | 0.043 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 176.9 | -60.2 | -82.2 | 0 | 0 | 0 | 112.4 | L231 H236 K237 G503 I504 L505 S506 | L231-D233 PolarHBondContact O-N 3.21Å; L231-D233 VanDerWaalsContact O-N 3.16Å; D233-H236 PolarHBondContact O-N 3.01Å; D233-K237 WeakPolarHBondContact O-CG 3.49Å; D233-K237 PolarHBondContact O-N 3.39Å; D233-G503 VanDerWaalsContact CG-CA 3.41Å; D233-G503 VanDerWaalsContact OD1-C 3.22Å; D233-G503 WeakPolarHBondContact OD1-CA 3.35Å; D233-G503 PolarHBondContact OD2-N 3.12Å; D233-I504 PolarHBondContact OD1-N 2.97Å; D233-L505 WeakPolarHBondContact OD1-CB 3.4Å; D233-L505 PolarHBondContact OD1-N 3.09Å; D233-S506 VanDerWaalsContact OD2-CB 3.25Å; D233-S506 WeakPolarHBondContact OD2-CB 3.44Å; D233-S506 PolarHBondContact OD2-N 2.76Å; D233-S506 PolarHBondContact OD2-OG 3.46Å |
| 234 | E | 85.3 | Confident | 86.7 | Confident | 5 Ų | 5 | 21.2 Ų | 21.2 | 2% | 0.023 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.1 | -44.4 | -178.3 | -57.7 | -50.8 | 139.3 | 0 | 0 | 112 | E173 Y176 L231 A232 H236 K237 C238 R497 | E173-E234 HydrophobicContact CB-CB 4.25Å; E173-E234 HydrophobicContact CB-CG 4.28Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.46Å; L231-E234 HydrophobicContact CB-CG 4.28Å; L231-E234 PolarHBondContact O-N 3.43Å; L231-E234 VanDerWaalsContact O-N 3.1Å; A232-E234 VanDerWaalsContact C-N 3.31Å; A232-E234 PolarHBondContact O-N 3.01Å; E234-H236 PolarHBondContact O-N 3.25Å; E234-K237 PolarHBondContact O-N 3.24Å; E234-K237 IonicContact OE1-NZ 2.67Å; E234-K237 PolarHBondContact OE1-NZ 2.84Å; E234-K237 WeakPolarHBondContact OE2-CD 3.41Å; E234-K237 IonicContact OE2-NZ 2.77Å; E234-K237 PolarHBondContact OE2-NZ 2.97Å; E234-C238 PolarHBondContact O-N 3.22Å; E234-R497 IonicContact OE1-NH2 3.05Å |
| 235 | A | 88.6 | Confident | 86.8 | Confident | 9 Ų | 9 | 17.8 Ų | 17.8 | 7% | 0.074 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.8 | -37.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L209 E210 C238 Q239 | L209-A235 HydrophobicContact CB-CB 4.16Å; E210-A235 HydrophobicContact CG-CB 4.14Å; A235-C238 PolarHBondContact O-N 3.35Å; A235-Q239 PolarHBondContact O-N 3.45Å |
| 236 | H | 85 | Confident | 86.9 | Confident | 28 Ų | 28 | 16.2 Ų | 16.2 | 13% | 0.13 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.3 | -38.4 | 176.7 | 179.3 | 64.9 | 0 | 0 | 0 | 112.8 | A232 D233 E234 C238 Q239 A240 L505 F549 N553 | A232-H236 WeakPolarHBondContact O-CB 3.35Å; A232-H236 PolarHBondContact O-N 3.18Å; A232-H236 VanDerWaalsContact O-N 3.09Å; D233-H236 PolarHBondContact O-N 3.01Å; E234-H236 PolarHBondContact O-N 3.25Å; H236-C238 VanDerWaalsContact C-N 3.34Å; H236-C238 PolarHBondContact O-N 2.91Å; H236-Q239 PolarHBondContact ND1-OE1 3.34Å; H236-Q239 WeakPolarHBondContact O-CB 3.16Å; H236-Q239 PolarHBondContact O-N 2.95Å; H236-Q239 VanDerWaalsContact O-N 3.15Å; H236-A240 PolarHBondContact O-N 3.41Å; H236-L505 HydrophobicContact CB-CD1 3.83Å; H236-F549 AromaticContact CD2-CE2 3.75Å; H236-F549 AromaticContact CD2-CZ 3.43Å; H236-F549 VanDerWaalsContact CD2-CZ 3.43Å; H236-F549 WeakPolarHBondContact CD2-CZ 3.39Å; H236-F549 AromaticContact NE2-CE2 3.26Å; H236-F549 VanDerWaalsContact NE2-CE2 3.26Å; H236-F549 WeakPolarHBondContact NE2-CE2 3.37Å; H236-F549 AromaticContact NE2-CZ 3.44Å; H236-F549 WeakPolarHBondContact NE2-CZ 3.4Å; H236-N553 PolarHBondContact CE1-OD1 3.49Å; H236-N553 PolarHBondContact ND1-OD1 3.33Å |
| 237 | K | 82.2 | Confident | 87 | Confident | 24 Ų | 24 | 18.6 Ų | 18.6 | 10% | 0.104 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 173.4 | -69.7 | 171.6 | -165.8 | 166.2 | 0 | 110.4 | Y176 D233 E234 Q239 A240 V241 | Y176-K237 HydrophobicContact CD1-CB 3.66Å; Y176-K237 HydrophobicContact CD1-CD 4.11Å; Y176-K237 HydrophobicContact CD2-CB 4.45Å; Y176-K237 HydrophobicContact CE1-CB 3.84Å; Y176-K237 HydrophobicContact CE1-CD 3.39Å; Y176-K237 HydrophobicContact CE1-CG 4.3Å; Y176-K237 HydrophobicContact CE2-CD 4.1Å; Y176-K237 HydrophobicContact CG-CB 3.99Å; Y176-K237 WeakPolarHBondContact OH-CD 3.48Å; Y176-K237 PolarHBondContact OH-NZ 3.06Å; Y176-K237 VanDerWaalsContact OH-NZ 3.13Å; D233-K237 WeakPolarHBondContact O-CG 3.49Å; D233-K237 PolarHBondContact O-N 3.39Å; E234-K237 PolarHBondContact O-N 3.24Å; E234-K237 IonicContact OE1-NZ 2.67Å; E234-K237 PolarHBondContact OE1-NZ 2.84Å; E234-K237 WeakPolarHBondContact OE2-CD 3.41Å; E234-K237 IonicContact OE2-NZ 2.77Å; E234-K237 PolarHBondContact OE2-NZ 2.97Å; K237-Q239 VanDerWaalsContact C-N 3.3Å; K237-Q239 PolarHBondContact O-N 2.85Å; K237-A240 PolarHBondContact O-N 3.32Å; K237-V241 WeakPolarHBondContact O-CG2 3.38Å; K237-V241 PolarHBondContact O-N 2.92Å; K237-V241 VanDerWaalsContact O-N 3.08Å |
| 238 | C | 87.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.3 | -40.6 | 174.5 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | I202 K206 E234 A235 H236 V241 L242 | I202-C238 HydrophobicContact CG2-CB 3.94Å; I202-C238 WeakPolarHBondContact CG2-O 3.21Å; K206-C238 HydrophobicContact CB-CB 3.81Å; K206-C238 HydrophobicContact CG-CB 4.25Å; E234-C238 PolarHBondContact O-N 3.22Å; A235-C238 PolarHBondContact O-N 3.35Å; H236-C238 VanDerWaalsContact C-N 3.34Å; H236-C238 PolarHBondContact O-N 2.91Å; C238-V241 PolarHBondContact O-N 3.07Å; C238-L242 VanDerWaalsContact O-CB 3.27Å; C238-L242 WeakPolarHBondContact O-CB 3.3Å; C238-L242 PolarHBondContact O-N 3.04Å |
| 239 | Q | 87.3 | Confident | 86.8 | Confident | 23 Ų | 23 | 19.3 Ų | 19.3 | 11% | 0.107 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62 | -47 | 175.6 | -177.3 | -173.6 | 8.3 | 0 | 0 | 112.5 | K206 A235 H236 K237 V241 L242 Q243 D271 | K206-Q239 HydrophobicContact CD-CB 3.88Å; K206-Q239 HydrophobicContact CD-CG 4.43Å; A235-Q239 PolarHBondContact O-N 3.45Å; H236-Q239 PolarHBondContact ND1-OE1 3.34Å; H236-Q239 WeakPolarHBondContact O-CB 3.16Å; H236-Q239 PolarHBondContact O-N 2.95Å; H236-Q239 VanDerWaalsContact O-N 3.15Å; K237-Q239 VanDerWaalsContact C-N 3.3Å; K237-Q239 PolarHBondContact O-N 2.85Å; Q239-V241 VanDerWaalsContact C-N 3.27Å; Q239-V241 PolarHBondContact O-N 3.3Å; Q239-L242 PolarHBondContact O-N 3.14Å; Q239-Q243 WeakPolarHBondContact O-CB 3.45Å; Q239-Q243 WeakPolarHBondContact O-CG 3.34Å; Q239-Q243 PolarHBondContact O-N 3.2Å; Q239-D271 PolarHBondContact NE2-OD2 2.89Å |
| 240 | A | 80.1 | Confident | 86.6 | Confident | 9 Ų | 9 | 18.6 Ų | 18.6 | 7% | 0.074 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.6 | -39 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H236 K237 S244 | H236-A240 PolarHBondContact O-N 3.41Å; K237-A240 PolarHBondContact O-N 3.32Å; A240-S244 PolarHBondContact O-N 3.23Å |
| 241 | V | 81.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.2 | -53.9 | 174.4 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | L197 I202 K237 C238 Q239 Q243 S244 M245 V855 | L197-V241 HydrophobicContact CD2-CG1 4.26Å; I202-V241 HydrophobicContact CD1-CG1 3.49Å; I202-V241 VanDerWaalsContact CD1-CG1 3.49Å; I202-V241 HydrophobicContact CG1-CG1 4.49Å; I202-V241 HydrophobicContact CG2-CB 4.33Å; I202-V241 HydrophobicContact CG2-CG1 4.25Å; K237-V241 WeakPolarHBondContact O-CG2 3.38Å; K237-V241 PolarHBondContact O-N 2.92Å; K237-V241 VanDerWaalsContact O-N 3.08Å; C238-V241 PolarHBondContact O-N 3.07Å; Q239-V241 VanDerWaalsContact C-N 3.27Å; Q239-V241 PolarHBondContact O-N 3.3Å; V241-Q243 VanDerWaalsContact C-N 3.3Å; V241-Q243 PolarHBondContact O-N 3.45Å; V241-S244 WeakPolarHBondContact O-CA 3.43Å; V241-S244 PolarHBondContact O-N 3.4Å; V241-S244 PolarHBondContact O-OG 3.08Å; V241-M245 HydrophobicContact CG1-CG 4.24Å; V241-M245 HydrophobicContact CG1-SD 3.65Å; V241-M245 WeakPolarHBondContact O-CG 3.48Å; V241-M245 PolarHBondContact O-N 2.8Å; V241-V855 HydrophobicContact CB-CG1 3.52Å; V241-V855 HydrophobicContact CB-CG2 4.39Å; V241-V855 HydrophobicContact CG1-CB 4.44Å; V241-V855 HydrophobicContact CG1-CG1 3.7Å; V241-V855 HydrophobicContact CG1-CG2 4.2Å; V241-V855 HydrophobicContact CG2-CB 4.01Å; V241-V855 HydrophobicContact CG2-CG1 3.26Å; V241-V855 HydrophobicContact CG2-CG2 3.56Å |
| 242 | L | 88.1 | Confident | 86.2 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.2 | -43.2 | -176.4 | -175.8 | 66 | 0 | 0 | 0 | 111.6 | A199 I202 C238 Q239 S244 M245 L246 V262 A269 V270 | A199-L242 HydrophobicContact CB-CD1 4.19Å; I202-L242 HydrophobicContact CG2-CB 4.35Å; C238-L242 VanDerWaalsContact O-CB 3.27Å; C238-L242 WeakPolarHBondContact O-CB 3.3Å; C238-L242 PolarHBondContact O-N 3.04Å; Q239-L242 PolarHBondContact O-N 3.14Å; L242-S244 PolarHBondContact O-N 2.87Å; L242-M245 PolarHBondContact O-N 3.46Å; L242-L246 HydrophobicContact CD1-CD1 4Å; L242-L246 HydrophobicContact CD1-CD2 4.28Å; L242-L246 HydrophobicContact CD1-CG 3.98Å; L242-L246 HydrophobicContact CG-CD1 3.94Å; L242-L246 HydrophobicContact CG-CG 4.29Å; L242-L246 WeakPolarHBondContact O-CG 3.36Å; L242-L246 PolarHBondContact O-N 3.26Å; L242-V262 HydrophobicContact CD1-CG1 4.08Å; L242-V262 HydrophobicContact CD2-CG1 3.92Å; L242-A269 HydrophobicContact CD2-CB 3.95Å; L242-V270 HydrophobicContact CD2-CG2 3.86Å; L242-V270 HydrophobicContact CG-CG2 4.4Å |
| 243 | Q | 85.8 | Confident | 86.4 | Confident | 84 Ų | 84 | 19.9 Ų | 19.9 | 39% | 0.393 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -61 | -32.3 | 176 | -76.3 | 176.3 | -10.8 | 0 | 0 | 113.1 | Q239 V241 L275 | Q239-Q243 WeakPolarHBondContact O-CB 3.45Å; Q239-Q243 WeakPolarHBondContact O-CG 3.34Å; Q239-Q243 PolarHBondContact O-N 3.2Å; V241-Q243 VanDerWaalsContact C-N 3.3Å; V241-Q243 PolarHBondContact O-N 3.45Å; Q243-L275 HydrophobicContact CB-CD2 4.43Å; Q243-L275 HydrophobicContact CG-CD2 4.33Å |
| 244 | S | 80.3 | Confident | 86.7 | Confident | 42 Ų | 42 | 20.5 Ų | 20.5 | 29% | 0.294 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -84.7 | -22.8 | 179.1 | 75.3 | 0 | 0 | 0 | 0 | 114.1 | A240 V241 L242 V855 | A240-S244 PolarHBondContact O-N 3.23Å; V241-S244 WeakPolarHBondContact O-CA 3.43Å; V241-S244 PolarHBondContact O-N 3.4Å; V241-S244 PolarHBondContact O-OG 3.08Å; L242-S244 PolarHBondContact O-N 2.87Å; S244-V855 PolarHBondContact OG-O 2.95Å |
| 245 | M | 84.7 | Confident | 87.1 | Confident | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.02 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -85 | -46.1 | 179.4 | -71.1 | -176.9 | 73 | 0 | 0 | 111.8 | L197 A199 I202 V241 L242 R248 E249 | L197-M245 HydrophobicContact CD2-SD 4.12Å; L197-M245 HydrophobicContact CG-SD 4.42Å; L197-M245 WeakPolarHBondContact O-CE 3.29Å; A199-M245 HydrophobicContact CB-CB 4.22Å; A199-M245 HydrophobicContact CB-CE 3.99Å; A199-M245 HydrophobicContact CB-SD 4.34Å; I202-M245 HydrophobicContact CD1-SD 3.6Å; V241-M245 HydrophobicContact CG1-CG 4.24Å; V241-M245 HydrophobicContact CG1-SD 3.65Å; V241-M245 WeakPolarHBondContact O-CG 3.48Å; V241-M245 PolarHBondContact O-N 2.8Å; L242-M245 PolarHBondContact O-N 3.46Å; M245-R248 WeakPolarHBondContact O-CA 3.4Å; M245-R248 WeakPolarHBondContact O-CB 3.37Å; M245-R248 PolarHBondContact O-N 3.2Å; M245-E249 WeakPolarHBondContact CE-O 3.46Å |
| 246 | L | 89.9 | Confident | 87.5 | Confident | 12 Ų | 12 | 20 Ų | 20 | 6% | 0.063 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 138.7 | -174 | -68 | 177.6 | 0 | 0 | 0 | 112.3 | A199 L242 L259 I263 V270 L275 T279 | A199-L246 HydrophobicContact CB-CD2 4.4Å; L242-L246 HydrophobicContact CD1-CD1 4Å; L242-L246 HydrophobicContact CD1-CD2 4.28Å; L242-L246 HydrophobicContact CD1-CG 3.98Å; L242-L246 HydrophobicContact CG-CD1 3.94Å; L242-L246 HydrophobicContact CG-CG 4.29Å; L242-L246 WeakPolarHBondContact O-CG 3.36Å; L242-L246 PolarHBondContact O-N 3.26Å; L246-L259 HydrophobicContact CD2-CD1 3.83Å; L246-L259 HydrophobicContact CD2-CD2 3.56Å; L246-L259 HydrophobicContact CD2-CG 4.23Å; L246-I263 HydrophobicContact CD1-CG2 4.35Å; L246-V270 HydrophobicContact CD1-CG2 3.47Å; L246-V270 VanDerWaalsContact CD1-CG2 3.47Å; L246-L275 HydrophobicContact CB-CD1 3.92Å; L246-L275 HydrophobicContact CB-CD2 4.15Å; L246-L275 HydrophobicContact CB-CG 4.11Å; L246-L275 HydrophobicContact CD1-CD2 4.21Å; L246-L275 HydrophobicContact CD1-CG 4.37Å; L246-T279 HydrophobicContact CD2-CG2 4.22Å |
| 247 | P | 92.3 | Very high | 88 | Confident | 52 Ų | 52 | 18.7 Ų | 18.7 | 34% | 0.338 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -86.5 | 6.1 | 10.3 | 36.9 | -39 | 0 | 0 | 0 | 115.3 | L255 L259 T279 A282 | P247-L255 HydrophobicContact CB-CD1 4.19Å; P247-L255 VanDerWaalsContact O-CD1 3.24Å; P247-L255 WeakPolarHBondContact O-CD1 3.39Å; P247-L259 WeakPolarHBondContact O-CD1 3.25Å; P247-T279 HydrophobicContact CB-CG2 4.09Å; P247-A282 HydrophobicContact CB-CB 4.21Å; P247-A282 HydrophobicContact CG-CB 4.49Å |
| 248 | R | 90.7 | Very high | 88.7 | Confident | 46 Ų | 46 | 17.7 Ų | 17.7 | 17% | 0.174 | 10% | 0.095 | C | C | . | . | trans | -74.8 | 144.2 | 179.9 | -174.4 | -179.8 | 71.6 | -111 | -21.7 | 111.6 | M245 S250 K253 E254 | M245-R248 WeakPolarHBondContact O-CA 3.4Å; M245-R248 WeakPolarHBondContact O-CB 3.37Å; M245-R248 PolarHBondContact O-N 3.2Å; R248-S250 WeakPolarHBondContact CD-O 3.28Å; R248-S250 VanDerWaalsContact CG-O 3.25Å; R248-S250 WeakPolarHBondContact CG-O 3.46Å; R248-K253 WeakPolarHBondContact CG-O 3.39Å; R248-E254 WeakPolarHBondContact CA-O 3.41Å | ||
| 249 | E | 92.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | trans | -87.1 | -51.7 | 175.9 | 177 | 59.3 | -156.4 | 0 | 0 | 112.6 | N198 A199 S200 M245 K253 D256 L259 | N198-E249 VanDerWaalsContact CB-OE1 3.29Å; N198-E249 WeakPolarHBondContact CB-OE1 3.39Å; A199-E249 PolarHBondContact N-O 2.97Å; A199-E249 PolarHBondContact N-OE1 3.17Å; S200-E249 VanDerWaalsContact CB-OE1 3.25Å; S200-E249 WeakPolarHBondContact CB-OE1 3.15Å; S200-E249 PolarHBondContact N-OE1 3.34Å; S200-E249 PolarHBondContact N-OE2 2.8Å; S200-E249 VanDerWaalsContact N-OE2 3.17Å; S200-E249 PolarHBondContact OG-OE1 2.83Å; M245-E249 WeakPolarHBondContact CE-O 3.46Å; E249-K253 HydrophobicContact CB-CB 4.02Å; E249-K253 HydrophobicContact CG-CB 4.34Å; E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 PolarHBondContact N-O 2.95Å; E249-D256 HydrophobicContact CB-CB 3.56Å; E249-D256 HydrophobicContact CG-CB 3.67Å; E249-L259 WeakPolarHBondContact OE2-CD2 3.47Å; E249-L259 WeakPolarHBondContact OE2-CG 3.45Å | ||
| 250 | S | 89 | Confident | 89.6 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -154.2 | -175.5 | -178.2 | 76.9 | 0 | 0 | 0 | 0 | 111.4 | E196 L197 R248 K253 | E196-S250 VanDerWaalsContact OE2-CB 3.29Å; E196-S250 WeakPolarHBondContact OE2-CB 3.46Å; E196-S250 PolarHBondContact OE2-OG 3.3Å; L197-S250 WeakPolarHBondContact O-CB 3.37Å; R248-S250 WeakPolarHBondContact CD-O 3.28Å; R248-S250 VanDerWaalsContact CG-O 3.25Å; R248-S250 WeakPolarHBondContact CG-O 3.46Å; S250-K253 PolarHBondContact N-O 3.02Å; S250-K253 VanDerWaalsContact N-O 3.08Å; S250-K253 CarbonylContact O-C 3.53Å; S250-K253 PolarHBondContact O-N 2.9Å; S250-K253 VanDerWaalsContact O-O 3.06Å; S250-K253 WeakPolarHBondContact OG-CB 3.21Å; S250-K253 PolarHBondContact OG-N 3.21Å; S250-K253 PolarHBondContact OG-NZ 3.34Å |
| 251 | N | 84.1 | Confident | 90.3 | Very high | 53 Ų | 53 | 16.4 Ų | 16.4 | 28% | 0.283 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -65.7 | -38.4 | -179.9 | -70.2 | -8.2 | 0 | 0 | 0 | 113 | Q857 L1071 K1072 | N251-Q857 PolarHBondContact OD1-OE1 3.27Å; N251-L1071 PolarHBondContact O-N 2.89Å; N251-L1071 WeakPolarHBondContact OD1-CD2 3.24Å; N251-K1072 PolarHBondContact O-N 3.28Å |
| 252 | S | 86 | Confident | 91 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -89.9 | -13.3 | 176.4 | 70.7 | 0 | 0 | 0 | 0 | 113.8 | K189 E196 E1070 | K189-S252 WeakPolarHBondContact CB-OG 3.49Å; K189-S252 WeakPolarHBondContact CD-O 3.02Å; K189-S252 PolarHBondContact N-OG 3.27Å; E196-S252 VanDerWaalsContact OE1-CB 3.27Å; E196-S252 WeakPolarHBondContact OE1-CB 3.22Å; E196-S252 PolarHBondContact OE1-N 2.98Å; E196-S252 PolarHBondContact OE1-OG 3.05Å; E196-S252 VanDerWaalsContact OE1-OG 3.12Å; E196-S252 PolarHBondContact OE2-OG 3.38Å; S252-E1070 WeakPolarHBondContact O-CG 3.44Å |
| 253 | K | 89.9 | Confident | 91.4 | Very high | 9 Ų | 9 | 16.4 Ų | 16.4 | 4% | 0.039 | 9% | 0.087 | C | C | . | . | trans | -118.9 | 99.4 | -179.8 | -58.9 | -176.5 | -144 | 75.4 | 0 | 111.1 | G187 K189 E196 N198 R248 E249 S250 L255 F296 | G187-K253 WeakPolarHBondContact O-CE 3.36Å; G187-K253 PolarHBondContact O-NZ 3.19Å; K189-K253 HydrophobicContact CB-CG 4.38Å; E196-K253 IonicContact OE2-NZ 2.89Å; N198-K253 PolarHBondContact OD1-NZ 3.48Å; R248-K253 WeakPolarHBondContact CG-O 3.39Å; E249-K253 HydrophobicContact CB-CB 4.02Å; E249-K253 HydrophobicContact CG-CB 4.34Å; E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 PolarHBondContact N-O 2.95Å; S250-K253 PolarHBondContact N-O 3.02Å; S250-K253 VanDerWaalsContact N-O 3.08Å; S250-K253 CarbonylContact O-C 3.53Å; S250-K253 PolarHBondContact O-N 2.9Å; S250-K253 VanDerWaalsContact O-O 3.06Å; S250-K253 WeakPolarHBondContact OG-CB 3.21Å; S250-K253 PolarHBondContact OG-N 3.21Å; S250-K253 PolarHBondContact OG-NZ 3.34Å; K253-L255 PolarHBondContact O-N 2.98Å; K253-F296 HydrophobicContact CD-CD1 4.01Å; K253-F296 HydrophobicContact CD-CD2 4.42Å; K253-F296 HydrophobicContact CD-CE1 4.31Å; K253-F296 HydrophobicContact CD-CG 4.08Å; K253-F296 HydrophobicContact CG-CG 4.49Å | ||
| 254 | E | 90.4 | Very high | 91.9 | Very high | 21 Ų | 21 | 12.5 Ų | 12.5 | 10% | 0.098 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -63.2 | -21.2 | 179.4 | 65.2 | 174.4 | 146 | 0 | 0 | 114.2 | R248 R286 L297 T1067 G1069 E1070 | R248-E254 WeakPolarHBondContact CA-O 3.41Å; E254-R286 IonicContact OE1-CZ 2.73Å; E254-R286 IonicContact OE1-NH2 3.45Å; E254-R286 PolarHBondContact OE1-NH2 2.93Å; E254-R286 IonicContact OE2-CZ 2.75Å; E254-R286 IonicContact OE2-NH1 3.54Å; E254-R286 PolarHBondContact OE2-NH1 3.46Å; E254-R286 IonicContact OE2-NH2 2.61Å; E254-R286 PolarHBondContact OE2-NH2 2.69Å; E254-L297 HydrophobicContact CG-CD1 4.33Å; E254-L297 VanDerWaalsContact OE1-CD1 3.27Å; E254-L297 WeakPolarHBondContact OE1-CD1 3.36Å; E254-T1067 VanDerWaalsContact CD-OG1 3.22Å; E254-T1067 WeakPolarHBondContact OE1-CB 3.33Å; E254-T1067 PolarHBondContact OE1-OG1 3.2Å; E254-G1069 WeakPolarHBondContact OE2-CA 3.23Å; E254-E1070 HydrophobicContact CB-CG 4.37Å |
| 255 | L | 93.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 10.8 Ų | 10.8 | 2% | 0.016 | 6% | 0.057 | C | C | . | . | trans | -164.2 | 145.4 | 179.3 | -173.9 | 64.2 | 0 | 0 | 0 | 110.3 | P247 K253 A282 I283 R286 L287 F296 | P247-L255 HydrophobicContact CB-CD1 4.19Å; P247-L255 VanDerWaalsContact O-CD1 3.24Å; P247-L255 WeakPolarHBondContact O-CD1 3.39Å; K253-L255 PolarHBondContact O-N 2.98Å; L255-A282 HydrophobicContact CD1-CB 4.06Å; L255-A282 HydrophobicContact CD2-CB 4.22Å; L255-A282 WeakPolarHBondContact CD2-O 3.3Å; L255-I283 HydrophobicContact CD1-CG1 3.89Å; L255-I283 HydrophobicContact CG-CG1 4.33Å; L255-R286 HydrophobicContact CD2-CB 3.88Å; L255-R286 HydrophobicContact CD2-CG 4.36Å; L255-L287 HydrophobicContact CD2-CD1 4.01Å; L255-L287 HydrophobicContact CD2-CG 3.96Å; L255-L287 HydrophobicContact CG-CD1 3.86Å; L255-L287 HydrophobicContact CG-CG 4.36Å; L255-F296 VanDerWaalsContact O-CB 3.29Å; L255-F296 WeakPolarHBondContact O-CB 3.37Å | ||
| 256 | D | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | B | Isolated β-bridge | trans | -142.8 | 140.5 | 176.1 | -164.2 | -64.5 | 0 | 0 | 0 | 111.4 | W184 E249 G258 L259 R295 F296 | W184-D256 VanDerWaalsContact CD1-OD2 3.29Å; W184-D256 PolarHBondContact NE1-OD1 2.57Å; W184-D256 VanDerWaalsContact NE1-OD1 3.08Å; W184-D256 PolarHBondContact NE1-OD2 2.83Å; E249-D256 HydrophobicContact CB-CB 3.56Å; E249-D256 HydrophobicContact CG-CB 3.67Å; D256-G258 VanDerWaalsContact C-N 3.27Å; D256-G258 PolarHBondContact O-N 3.37Å; D256-G258 WeakPolarHBondContact OD1-CA 3.44Å; D256-G258 PolarHBondContact OD1-N 3.2Å; D256-L259 WeakPolarHBondContact O-CB 3.39Å; D256-L259 WeakPolarHBondContact O-CG 3.45Å; D256-L259 PolarHBondContact O-N 2.9Å; D256-R295 CarbonylContact C-O 3.57Å; D256-R295 WeakPolarHBondContact CA-O 3.4Å; D256-F296 VanDerWaalsContact OD2-CD1 3.31Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.48Å |
| 257 | S | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -72.8 | -19.3 | 177.9 | -67.4 | 0 | 0 | 0 | 0 | 113.1 | L259 L260 L287 C293 K294 R295 F331 | S257-L259 PolarHBondContact O-N 3.43Å; S257-L260 WeakPolarHBondContact O-CB 3.49Å; S257-L260 WeakPolarHBondContact O-CG 3.4Å; S257-L260 PolarHBondContact O-N 3.41Å; S257-L260 VanDerWaalsContact O-N 3.11Å; S257-L287 VanDerWaalsContact OG-CD1 3.29Å; S257-L287 WeakPolarHBondContact OG-CD1 3.22Å; S257-C293 WeakPolarHBondContact OG-CB 3.33Å; S257-K294 WeakPolarHBondContact CB-O 3.17Å; S257-K294 PolarHBondContact OG-O 3.27Å; S257-R295 PolarHBondContact N-O 3.42Å; S257-F331 VanDerWaalsContact C-CE1 3.42Å; S257-F331 WeakPolarHBondContact O-CE1 3.4Å |
| 258 | G | 95.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 8.9 Ų | 8.9 | 3% | 0.031 | 4% | 0.043 | C | C | . | . | G | 310 helix | trans | -57.2 | -26.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D256 L260 C261 | D256-G258 VanDerWaalsContact C-N 3.27Å; D256-G258 PolarHBondContact O-N 3.37Å; D256-G258 WeakPolarHBondContact OD1-CA 3.44Å; D256-G258 PolarHBondContact OD1-N 3.2Å; G258-L260 PolarHBondContact O-N 2.96Å; G258-C261 PolarHBondContact O-N 3.19Å; G258-C261 PolarHBondContact O-SG 3.25Å |
| 259 | L | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | G | 310 helix | trans | -57.4 | -20 | 174 | -68.1 | 176.9 | 0 | 0 | 0 | 113.9 | A199 L246 P247 E249 D256 S257 C261 V262 I263 T279 I283 | A199-L259 HydrophobicContact CB-CD2 3.89Å; L246-L259 HydrophobicContact CD2-CD1 3.83Å; L246-L259 HydrophobicContact CD2-CD2 3.56Å; L246-L259 HydrophobicContact CD2-CG 4.23Å; P247-L259 WeakPolarHBondContact O-CD1 3.25Å; E249-L259 WeakPolarHBondContact OE2-CD2 3.47Å; E249-L259 WeakPolarHBondContact OE2-CG 3.45Å; D256-L259 WeakPolarHBondContact O-CB 3.39Å; D256-L259 WeakPolarHBondContact O-CG 3.45Å; D256-L259 PolarHBondContact O-N 2.9Å; S257-L259 PolarHBondContact O-N 3.43Å; L259-C261 PolarHBondContact O-N 2.99Å; L259-V262 WeakPolarHBondContact O-CB 3.48Å; L259-V262 PolarHBondContact O-N 3.44Å; L259-I263 PolarHBondContact O-N 2.66Å; L259-T279 HydrophobicContact CB-CG2 4.24Å; L259-T279 HydrophobicContact CD1-CG2 4.12Å; L259-I283 HydrophobicContact CB-CD1 3.97Å |
| 260 | L | 97.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 7 Ų | 7 | 2% | 0.016 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -58.3 | -32.3 | 172.5 | -70.4 | 176.1 | 0 | 0 | 0 | 112.8 | S257 G258 V262 I263 G264 I283 F331 Y334 L335 | S257-L260 WeakPolarHBondContact O-CB 3.49Å; S257-L260 WeakPolarHBondContact O-CG 3.4Å; S257-L260 PolarHBondContact O-N 3.41Å; S257-L260 VanDerWaalsContact O-N 3.11Å; G258-L260 PolarHBondContact O-N 2.96Å; L260-V262 VanDerWaalsContact C-N 3.25Å; L260-V262 PolarHBondContact O-N 2.88Å; L260-I263 HydrophobicContact CD2-CD1 4.14Å; L260-G264 PolarHBondContact O-N 2.96Å; L260-G264 VanDerWaalsContact O-N 3.16Å; L260-I283 HydrophobicContact CD2-CD1 4.05Å; L260-I283 HydrophobicContact CG-CD1 4.02Å; L260-F331 HydrophobicContact CD1-CB 4.13Å; L260-F331 HydrophobicContact CD1-CD1 4.06Å; L260-F331 HydrophobicContact CD1-CG 4.49Å; L260-Y334 HydrophobicContact CB-CG 4.36Å; L260-L335 HydrophobicContact CD1-CD2 4.35Å; L260-L335 HydrophobicContact CD1-CG 4.28Å; L260-L335 HydrophobicContact CD2-CD2 4.17Å |
| 261 | C | 95.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.014 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -74.5 | -18.7 | 177.5 | 81.2 | 0 | 0 | 0 | 0 | 112.8 | M204 G258 L259 A267 Y334 | M204-C261 HydrophobicContact CE-CB 4.45Å; G258-C261 PolarHBondContact O-N 3.19Å; G258-C261 PolarHBondContact O-SG 3.25Å; L259-C261 PolarHBondContact O-N 2.99Å; C261-A267 WeakPolarHBondContact O-CB 3.1Å; C261-A267 PolarHBondContact O-N 2.67Å; C261-Y334 HydrophobicContact CB-CE1 3.79Å |
| 262 | V | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -88.3 | -49.5 | 178.9 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | L242 L259 L260 G264 F268 A269 V270 | L242-V262 HydrophobicContact CD1-CG1 4.08Å; L242-V262 HydrophobicContact CD2-CG1 3.92Å; L259-V262 WeakPolarHBondContact O-CB 3.48Å; L259-V262 PolarHBondContact O-N 3.44Å; L260-V262 VanDerWaalsContact C-N 3.25Å; L260-V262 PolarHBondContact O-N 2.88Å; V262-G264 PolarHBondContact O-N 2.73Å; V262-F268 PolarHBondContact O-N 3.22Å; V262-A269 HydrophobicContact CG1-CB 3.86Å; V262-A269 PolarHBondContact O-N 3.01Å; V262-V270 HydrophobicContact CG1-CG2 4.3Å |
| 263 | I | 96.4 | Very high | 94 | Very high | 6 Ų | 6 | 12.1 Ų | 12.1 | 3% | 0.031 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -76.1 | -15.5 | -179.3 | 68.8 | 172.8 | 0 | 0 | 0 | 112.8 | L246 L259 L260 V270 I276 T279 K280 F338 | L246-I263 HydrophobicContact CD1-CG2 4.35Å; L259-I263 PolarHBondContact O-N 2.66Å; L260-I263 HydrophobicContact CD2-CD1 4.14Å; I263-V270 HydrophobicContact CG2-CG2 4.04Å; I263-I276 HydrophobicContact CB-CG1 4.4Å; I263-I276 HydrophobicContact CB-CG2 4.26Å; I263-I276 HydrophobicContact CD1-CG2 4.43Å; I263-T279 HydrophobicContact CD1-CG2 4.37Å; I263-T279 HydrophobicContact CG2-CG2 4.08Å; I263-K280 HydrophobicContact CD1-CB 3.87Å; I263-F338 HydrophobicContact CD1-CE2 4.11Å; I263-F338 HydrophobicContact CG1-CE2 4Å |
| 264 | G | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -134.3 | -149.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L260 V262 A267 F268 | L260-G264 PolarHBondContact O-N 2.96Å; L260-G264 VanDerWaalsContact O-N 3.16Å; V262-G264 PolarHBondContact O-N 2.73Å; G264-A267 PolarHBondContact O-N 3.18Å; G264-A267 VanDerWaalsContact O-N 3.1Å; G264-F268 PolarHBondContact O-N 3.05Å |
| 265 | F | 95.1 | Very high | 94.3 | Very high | 7 Ų | 7 | 16.9 Ų | 16.9 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 134.6 | 179.4 | -179.7 | -91.3 | 0 | 0 | 0 | 111.2 | L52 F268 Y334 L337 F341 L406 L423 | L52-F265 HydrophobicContact CD1-CE1 4.05Å; L52-F265 HydrophobicContact CD1-CZ 4.18Å; F265-F268 HydrophobicContact CB-CE2 4.2Å; F265-F268 HydrophobicContact CB-CZ 3.8Å; F265-F268 HydrophobicContact CD2-CE2 4.07Å; F265-F268 HydrophobicContact CD2-CZ 4.27Å; F265-Y334 WeakPolarHBondContact O-CE1 3.37Å; F265-L337 HydrophobicContact CD1-CD1 3.84Å; F265-L337 HydrophobicContact CE1-CD1 4.3Å; F265-F341 HydrophobicContact CB-CD2 4.06Å; F265-F341 HydrophobicContact CB-CE2 3.71Å; F265-F341 HydrophobicContact CB-CZ 4.44Å; F265-F341 AromaticContact CD2-CE2 3.54Å; F265-F341 HydrophobicContact CD2-CE2 3.54Å; F265-F341 AromaticContact CD2-CZ 3.55Å; F265-F341 HydrophobicContact CD2-CZ 3.55Å; F265-F341 HydrophobicContact CE2-CE2 4.42Å; F265-F341 HydrophobicContact CE2-CZ 4.2Å; F265-F341 AromaticContact CG-CE2 3.8Å; F265-F341 HydrophobicContact CG-CE2 3.8Å; F265-F341 HydrophobicContact CG-CZ 4.28Å; F265-L406 HydrophobicContact CE1-CD2 4.27Å; F265-L423 HydrophobicContact CE2-CB 4.19Å |
| 266 | P | 95.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.019 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.2 | -13 | 7.5 | 35.1 | -34.1 | 0 | 0 | 0 | 115.7 | Y49 L140 L143 I144 M204 | Y49-P266 HydrophobicContact CE1-CG 4.28Å; L140-P266 HydrophobicContact CD1-CG 3.78Å; L143-P266 HydrophobicContact CD2-CB 4.18Å; L143-P266 HydrophobicContact CD2-CG 4.28Å; I144-P266 HydrophobicContact CD1-CB 4.13Å; M204-P266 HydrophobicContact CE-CG 4.26Å |
| 267 | A | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -43.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L143 M204 A207 C261 G264 A269 R428 | L143-A267 HydrophobicContact CD2-CB 4.41Å; M204-A267 HydrophobicContact CE-CB 4.3Å; M204-A267 HydrophobicContact SD-CB 4.13Å; A207-A267 HydrophobicContact CB-CB 3.7Å; A207-A267 WeakPolarHBondContact CB-O 3.24Å; C261-A267 WeakPolarHBondContact O-CB 3.1Å; C261-A267 PolarHBondContact O-N 2.67Å; G264-A267 PolarHBondContact O-N 3.18Å; G264-A267 VanDerWaalsContact O-N 3.1Å; A267-A269 HydrophobicContact CB-CB 4.22Å; A267-A269 PolarHBondContact O-N 2.73Å; A267-R428 PolarHBondContact O-NE 3.41Å; A267-R428 PolarHBondContact O-NH2 2.78Å; A267-R428 VanDerWaalsContact O-NH2 3.09Å |
| 268 | F | 95.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 25.4 Ų | 25.4 | 11% | 0.11 | 14% | 0.138 | C | C | . | . | trans | 46.3 | 45.7 | -169.7 | -55.2 | -77.2 | 0 | 0 | 0 | 112.2 | V262 G264 F265 V270 F341 R428 R429 | V262-F268 PolarHBondContact O-N 3.22Å; G264-F268 PolarHBondContact O-N 3.05Å; F265-F268 HydrophobicContact CB-CE2 4.2Å; F265-F268 HydrophobicContact CB-CZ 3.8Å; F265-F268 HydrophobicContact CD2-CE2 4.07Å; F265-F268 HydrophobicContact CD2-CZ 4.27Å; F268-V270 VanDerWaalsContact C-N 3.34Å; F268-V270 PolarHBondContact O-N 3.1Å; F268-F341 HydrophobicContact CE1-CB 4.39Å; F268-F341 HydrophobicContact CE1-CD1 4.25Å; F268-F341 HydrophobicContact CE1-CG 4.15Å; F268-F341 HydrophobicContact CE2-CE1 4.23Å; F268-F341 HydrophobicContact CE2-CZ 4.4Å; F268-F341 HydrophobicContact CZ-CB 4.47Å; F268-F341 AromaticContact CZ-CD1 3.63Å; F268-F341 HydrophobicContact CZ-CD1 3.63Å; F268-F341 AromaticContact CZ-CD2 3.93Å; F268-F341 HydrophobicContact CZ-CD2 3.93Å; F268-F341 AromaticContact CZ-CE1 3.73Å; F268-F341 HydrophobicContact CZ-CE1 3.73Å; F268-F341 HydrophobicContact CZ-CE2 4.06Å; F268-F341 AromaticContact CZ-CG 3.75Å; F268-F341 HydrophobicContact CZ-CG 3.75Å; F268-F341 AromaticContact CZ-CZ 3.96Å; F268-F341 HydrophobicContact CZ-CZ 3.96Å; F268-R428 HydrophobicContact CB-CB 4.15Å; F268-R428 HydrophobicContact CD2-CB 4.18Å; F268-R429 HydrophobicContact CD1-CB 4.02Å; F268-R429 HydrophobicContact CD2-CB 4.36Å; F268-R429 HydrophobicContact CE1-CB 3.94Å; F268-R429 HydrophobicContact CE2-CB 4.29Å; F268-R429 HydrophobicContact CG-CB 4.22Å; F268-R429 HydrophobicContact CZ-CB 4.08Å | ||
| 269 | A | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -82 | -11 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G203 K206 A207 L242 V262 A267 | G203-A269 WeakPolarHBondContact O-CB 3.36Å; K206-A269 HydrophobicContact CD-CB 4.35Å; K206-A269 WeakPolarHBondContact CD-O 3.46Å; K206-A269 WeakPolarHBondContact CE-O 3.46Å; K206-A269 PolarHBondContact NZ-O 3.06Å; A207-A269 HydrophobicContact CB-CB 4.37Å; L242-A269 HydrophobicContact CD2-CB 3.95Å; V262-A269 HydrophobicContact CG1-CB 3.86Å; V262-A269 PolarHBondContact O-N 3.01Å; A267-A269 HydrophobicContact CB-CB 4.22Å; A267-A269 PolarHBondContact O-N 2.73Å | ||
| 270 | V | 92.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | trans | -103.9 | 127.6 | -176.3 | -175.5 | 0 | 0 | 0 | 0 | 110 | L242 L246 V262 I263 F268 L275 I276 | L242-V270 HydrophobicContact CD2-CG2 3.86Å; L242-V270 HydrophobicContact CG-CG2 4.4Å; L246-V270 HydrophobicContact CD1-CG2 3.47Å; L246-V270 VanDerWaalsContact CD1-CG2 3.47Å; V262-V270 HydrophobicContact CG1-CG2 4.3Å; I263-V270 HydrophobicContact CG2-CG2 4.04Å; F268-V270 VanDerWaalsContact C-N 3.34Å; F268-V270 PolarHBondContact O-N 3.1Å; V270-L275 HydrophobicContact CG1-CB 4.28Å; V270-L275 HydrophobicContact CG1-CD2 4.02Å; V270-L275 HydrophobicContact CG1-CG 4.3Å; V270-I276 HydrophobicContact CB-CD1 4.31Å; V270-I276 HydrophobicContact CB-CG1 3.83Å; V270-I276 HydrophobicContact CG1-CD1 4.44Å; V270-I276 HydrophobicContact CG1-CG1 3.76Å; V270-I276 WeakPolarHBondContact O-CD1 3.37Å | ||
| 271 | D | 86.8 | Confident | 94.3 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | trans | -94 | -14.4 | -178.7 | -49.6 | -73.7 | 0 | 0 | 0 | 113.2 | K206 Q239 A432 H556 | K206-D271 IonicContact NZ-OD1 3.9Å; K206-D271 IonicContact NZ-OD2 2.97Å; K206-D271 PolarHBondContact NZ-OD2 3.44Å; Q239-D271 PolarHBondContact NE2-OD2 2.89Å; D271-A432 WeakPolarHBondContact O-CA 3.38Å; D271-H556 IonicContact OD1-CE1 3.9Å; D271-H556 PolarHBondContact OD1-CE1 2.77Å; D271-H556 IonicContact OD1-NE2 3.6Å; D271-H556 PolarHBondContact OD1-NE2 3.11Å; D271-H556 IonicContact OD2-NE2 3.49Å | ||
| 272 | D | 88.6 | Confident | 94.3 | Very high | 78 Ų | 78 | 30.3 Ų | 30.3 | 42% | 0.417 | 17% | 0.165 | S | C | . | . | trans | -92.5 | 111.5 | 179.3 | -179 | 1.3 | 0 | 0 | 0 | 111.4 | Q274 L275 I276 | D272-Q274 VanDerWaalsContact C-N 3.28Å; D272-Q274 PolarHBondContact O-N 2.86Å; D272-Q274 PolarHBondContact OD1-N 3.17Å; D272-L275 HydrophobicContact CB-CB 3.89Å; D272-L275 PolarHBondContact O-N 2.95Å; D272-I276 WeakPolarHBondContact O-CG1 3.11Å; D272-I276 PolarHBondContact O-N 3.04Å | ||
| 273 | A | 90.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 30.3 Ų | 30.3 | 52% | 0.521 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.6 | -34.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H277 | A273-H277 PolarHBondContact O-N 3.49Å; A273-H277 VanDerWaalsContact O-N 3.12Å |
| 274 | Q | 93.1 | Very high | 94.4 | Very high | 108 Ų | 108 | 31.5 Ų | 31.5 | 51% | 0.505 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -70.8 | -42.1 | 178.4 | -173 | 62.9 | 50 | 0 | 0 | 110.5 | D272 I276 H277 N278 | D272-Q274 VanDerWaalsContact C-N 3.28Å; D272-Q274 PolarHBondContact O-N 2.86Å; D272-Q274 PolarHBondContact OD1-N 3.17Å; Q274-I276 VanDerWaalsContact C-N 3.34Å; Q274-I276 PolarHBondContact O-N 3.03Å; Q274-H277 PolarHBondContact O-N 2.91Å; Q274-N278 PolarHBondContact NE2-OD1 3.08Å; Q274-N278 WeakPolarHBondContact O-CB 3.37Å; Q274-N278 PolarHBondContact O-N 2.91Å; Q274-N278 PolarHBondContact O-OD1 3.06Å |
| 275 | L | 92.8 | Very high | 94.4 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -39.5 | 176.9 | -172.9 | 59.4 | 0 | 0 | 0 | 112 | Q243 L246 V270 D272 N278 T279 | Q243-L275 HydrophobicContact CB-CD2 4.43Å; Q243-L275 HydrophobicContact CG-CD2 4.33Å; L246-L275 HydrophobicContact CB-CD1 3.92Å; L246-L275 HydrophobicContact CB-CD2 4.15Å; L246-L275 HydrophobicContact CB-CG 4.11Å; L246-L275 HydrophobicContact CD1-CD2 4.21Å; L246-L275 HydrophobicContact CD1-CG 4.37Å; V270-L275 HydrophobicContact CG1-CB 4.28Å; V270-L275 HydrophobicContact CG1-CD2 4.02Å; V270-L275 HydrophobicContact CG1-CG 4.3Å; D272-L275 HydrophobicContact CB-CB 3.89Å; D272-L275 PolarHBondContact O-N 2.95Å; L275-N278 PolarHBondContact O-N 2.87Å; L275-T279 WeakPolarHBondContact O-CB 3.29Å; L275-T279 PolarHBondContact O-N 3.15Å; L275-T279 PolarHBondContact O-OG1 3.24Å |
| 276 | I | 95.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 11% | 0.108 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 172.7 | -67.8 | 168.3 | 0 | 0 | 0 | 110.4 | I263 V270 D272 Q274 T279 K280 F338 A432 | I263-I276 HydrophobicContact CB-CG1 4.4Å; I263-I276 HydrophobicContact CB-CG2 4.26Å; I263-I276 HydrophobicContact CD1-CG2 4.43Å; V270-I276 HydrophobicContact CB-CD1 4.31Å; V270-I276 HydrophobicContact CB-CG1 3.83Å; V270-I276 HydrophobicContact CG1-CD1 4.44Å; V270-I276 HydrophobicContact CG1-CG1 3.76Å; V270-I276 WeakPolarHBondContact O-CD1 3.37Å; D272-I276 WeakPolarHBondContact O-CG1 3.11Å; D272-I276 PolarHBondContact O-N 3.04Å; Q274-I276 VanDerWaalsContact C-N 3.34Å; Q274-I276 PolarHBondContact O-N 3.03Å; I276-T279 PolarHBondContact O-N 3.14Å; I276-K280 WeakPolarHBondContact O-CB 3.45Å; I276-K280 PolarHBondContact O-N 3.31Å; I276-F338 HydrophobicContact CG2-CE2 4.14Å; I276-F338 HydrophobicContact CG2-CZ 3.86Å; I276-A432 HydrophobicContact CD1-CB 4.25Å |
| 277 | H | 94.8 | Very high | 94.4 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 39% | 0.389 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.2 | -46.5 | -179.4 | -172.7 | 23.5 | 0 | 0 | 0 | 112 | A273 Q274 T279 K280 D281 | A273-H277 PolarHBondContact O-N 3.49Å; A273-H277 VanDerWaalsContact O-N 3.12Å; Q274-H277 PolarHBondContact O-N 2.91Å; H277-T279 VanDerWaalsContact C-N 3.31Å; H277-T279 PolarHBondContact O-N 3.3Å; H277-K280 PolarHBondContact O-N 2.68Å; H277-D281 IonicContact CE1-OD1 3.96Å; H277-D281 PolarHBondContact CE1-OD1 3.21Å; H277-D281 IonicContact CE1-OD2 3.37Å; H277-D281 PolarHBondContact CE1-OD2 3.46Å; H277-D281 VanDerWaalsContact ND1-CG 3.32Å; H277-D281 IonicContact ND1-OD1 3.17Å; H277-D281 PolarHBondContact ND1-OD1 3.29Å; H277-D281 IonicContact ND1-OD2 3.44Å; H277-D281 PolarHBondContact ND1-OD2 3.02Å; H277-D281 IonicContact NE2-OD2 2.9Å; H277-D281 WeakPolarHBondContact O-CB 3.41Å; H277-D281 VanDerWaalsContact O-CG 3.24Å; H277-D281 PolarHBondContact O-N 2.67Å |
| 278 | N | 95.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59 | -42.9 | 178 | -68.8 | -5.6 | 0 | 0 | 0 | 111.5 | Q274 L275 A282 | Q274-N278 PolarHBondContact NE2-OD1 3.08Å; Q274-N278 WeakPolarHBondContact O-CB 3.37Å; Q274-N278 PolarHBondContact O-N 2.91Å; Q274-N278 PolarHBondContact O-OD1 3.06Å; L275-N278 PolarHBondContact O-N 2.87Å; N278-A282 WeakPolarHBondContact O-CB 3.32Å; N278-A282 PolarHBondContact O-N 2.84Å |
| 279 | T | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.4 | -48.7 | 179.2 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | L246 P247 L259 I263 L275 I276 H277 D281 A282 I283 | L246-T279 HydrophobicContact CD2-CG2 4.22Å; P247-T279 HydrophobicContact CB-CG2 4.09Å; L259-T279 HydrophobicContact CB-CG2 4.24Å; L259-T279 HydrophobicContact CD1-CG2 4.12Å; I263-T279 HydrophobicContact CD1-CG2 4.37Å; I263-T279 HydrophobicContact CG2-CG2 4.08Å; L275-T279 WeakPolarHBondContact O-CB 3.29Å; L275-T279 PolarHBondContact O-N 3.15Å; L275-T279 PolarHBondContact O-OG1 3.24Å; I276-T279 PolarHBondContact O-N 3.14Å; H277-T279 VanDerWaalsContact C-N 3.31Å; H277-T279 PolarHBondContact O-N 3.3Å; T279-D281 VanDerWaalsContact C-N 3.34Å; T279-D281 PolarHBondContact O-N 3.47Å; T279-A282 PolarHBondContact O-N 3.07Å; T279-I283 HydrophobicContact CG2-CD1 4.17Å; T279-I283 WeakPolarHBondContact O-CG1 3.48Å; T279-I283 PolarHBondContact O-N 2.93Å |
| 280 | K | 96.7 | Very high | 94.3 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 176.4 | -174.6 | -155.7 | 68.4 | 175.9 | 0 | 111.1 | I263 I276 H277 A282 I283 L284 F338 | I263-K280 HydrophobicContact CD1-CB 3.87Å; I276-K280 WeakPolarHBondContact O-CB 3.45Å; I276-K280 PolarHBondContact O-N 3.31Å; H277-K280 PolarHBondContact O-N 2.68Å; K280-A282 VanDerWaalsContact C-N 3.34Å; K280-A282 PolarHBondContact O-N 2.83Å; K280-I283 WeakPolarHBondContact O-CB 3.2Å; K280-I283 PolarHBondContact O-N 2.84Å; K280-L284 HydrophobicContact CD-CD1 4.24Å; K280-L284 HydrophobicContact CG-CD1 4.04Å; K280-L284 HydrophobicContact CG-CG 4.38Å; K280-L284 VanDerWaalsContact O-CG 3.31Å; K280-L284 WeakPolarHBondContact O-CG 3.35Å; K280-L284 PolarHBondContact O-N 2.77Å; K280-F338 HydrophobicContact CD-CD1 4.35Å; K280-F338 HydrophobicContact CD-CE1 3.7Å; K280-F338 HydrophobicContact CD-CZ 4.08Å |
| 281 | D | 97.2 | Very high | 94.5 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67 | -35.4 | -177.8 | -71.6 | 10.5 | 0 | 0 | 0 | 112 | H277 T279 L284 S285 | H277-D281 IonicContact CE1-OD1 3.96Å; H277-D281 PolarHBondContact CE1-OD1 3.21Å; H277-D281 IonicContact CE1-OD2 3.37Å; H277-D281 PolarHBondContact CE1-OD2 3.46Å; H277-D281 VanDerWaalsContact ND1-CG 3.32Å; H277-D281 IonicContact ND1-OD1 3.17Å; H277-D281 PolarHBondContact ND1-OD1 3.29Å; H277-D281 IonicContact ND1-OD2 3.44Å; H277-D281 PolarHBondContact ND1-OD2 3.02Å; H277-D281 IonicContact NE2-OD2 2.9Å; H277-D281 WeakPolarHBondContact O-CB 3.41Å; H277-D281 VanDerWaalsContact O-CG 3.24Å; H277-D281 PolarHBondContact O-N 2.67Å; T279-D281 VanDerWaalsContact C-N 3.34Å; T279-D281 PolarHBondContact O-N 3.47Å; D281-L284 PolarHBondContact O-N 2.86Å; D281-S285 VanDerWaalsContact O-CB 3.24Å; D281-S285 WeakPolarHBondContact O-CB 3.45Å; D281-S285 PolarHBondContact O-N 2.52Å; D281-S285 PolarHBondContact O-OG 3.41Å |
| 282 | A | 96.4 | Very high | 94.9 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P247 L255 N278 T279 K280 S285 R286 | P247-A282 HydrophobicContact CB-CB 4.21Å; P247-A282 HydrophobicContact CG-CB 4.49Å; L255-A282 HydrophobicContact CD1-CB 4.06Å; L255-A282 HydrophobicContact CD2-CB 4.22Å; L255-A282 WeakPolarHBondContact CD2-O 3.3Å; N278-A282 WeakPolarHBondContact O-CB 3.32Å; N278-A282 PolarHBondContact O-N 2.84Å; T279-A282 PolarHBondContact O-N 3.07Å; K280-A282 VanDerWaalsContact C-N 3.34Å; K280-A282 PolarHBondContact O-N 2.83Å; A282-S285 WeakPolarHBondContact CA-OG 3.37Å; A282-S285 PolarHBondContact O-N 2.93Å; A282-S285 PolarHBondContact O-OG 3.24Å; A282-S285 VanDerWaalsContact O-OG 3.06Å; A282-R286 WeakPolarHBondContact O-CB 3.34Å; A282-R286 PolarHBondContact O-N 2.81Å; A282-R286 VanDerWaalsContact O-N 3.09Å |
| 283 | I | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -49.4 | 176.2 | -64.9 | 166.8 | 0 | 0 | 0 | 110.6 | L255 L259 L260 T279 K280 S285 L287 Q288 | L255-I283 HydrophobicContact CD1-CG1 3.89Å; L255-I283 HydrophobicContact CG-CG1 4.33Å; L259-I283 HydrophobicContact CB-CD1 3.97Å; L260-I283 HydrophobicContact CD2-CD1 4.05Å; L260-I283 HydrophobicContact CG-CD1 4.02Å; T279-I283 HydrophobicContact CG2-CD1 4.17Å; T279-I283 WeakPolarHBondContact O-CG1 3.48Å; T279-I283 PolarHBondContact O-N 2.93Å; K280-I283 WeakPolarHBondContact O-CB 3.2Å; K280-I283 PolarHBondContact O-N 2.84Å; I283-S285 PolarHBondContact O-N 3.35Å; I283-L287 HydrophobicContact CG2-CB 4.49Å; I283-L287 HydrophobicContact CG2-CD1 4.49Å; I283-L287 WeakPolarHBondContact O-CA 3.25Å; I283-L287 WeakPolarHBondContact O-CB 3.49Å; I283-L287 PolarHBondContact O-N 3.26Å; I283-Q288 PolarHBondContact O-N 3.31Å |
| 284 | L | 96.9 | Very high | 95.6 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68 | -34.9 | -177.1 | -61.9 | 178.1 | 0 | 0 | 0 | 112.6 | K280 D281 Q288 L335 | K280-L284 HydrophobicContact CD-CD1 4.24Å; K280-L284 HydrophobicContact CG-CD1 4.04Å; K280-L284 HydrophobicContact CG-CG 4.38Å; K280-L284 VanDerWaalsContact O-CG 3.31Å; K280-L284 WeakPolarHBondContact O-CG 3.35Å; K280-L284 PolarHBondContact O-N 2.77Å; D281-L284 PolarHBondContact O-N 2.86Å; L284-Q288 VanDerWaalsContact CD2-OE1 3.22Å; L284-Q288 WeakPolarHBondContact O-CB 3.15Å; L284-L335 HydrophobicContact CD2-CD1 3.63Å; L284-L335 HydrophobicContact CD2-CD2 3.98Å; L284-L335 HydrophobicContact CD2-CG 4.46Å |
| 285 | S | 95.9 | Very high | 95.8 | Very high | 93 Ų | 93 | 39.4 Ų | 39.4 | 65% | 0.65 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -75.5 | -33.8 | -179.7 | 56 | 0 | 0 | 0 | 0 | 113.5 | D281 A282 I283 | D281-S285 VanDerWaalsContact O-CB 3.24Å; D281-S285 WeakPolarHBondContact O-CB 3.45Å; D281-S285 PolarHBondContact O-N 2.52Å; D281-S285 PolarHBondContact O-OG 3.41Å; A282-S285 WeakPolarHBondContact CA-OG 3.37Å; A282-S285 PolarHBondContact O-N 2.93Å; A282-S285 PolarHBondContact O-OG 3.24Å; A282-S285 VanDerWaalsContact O-OG 3.06Å; I283-S285 PolarHBondContact O-N 3.35Å |
| 286 | R | 94.1 | Very high | 95.9 | Very high | 107 Ų | 107 | 38.5 Ų | 38.5 | 40% | 0.404 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -106.8 | -30 | -172 | -60.2 | -177.9 | 68.5 | -178.8 | 3.9 | 114.5 | E254 L255 A282 | E254-R286 IonicContact OE1-CZ 2.73Å; E254-R286 IonicContact OE1-NH2 3.45Å; E254-R286 PolarHBondContact OE1-NH2 2.93Å; E254-R286 IonicContact OE2-CZ 2.75Å; E254-R286 IonicContact OE2-NH1 3.54Å; E254-R286 PolarHBondContact OE2-NH1 3.46Å; E254-R286 IonicContact OE2-NH2 2.61Å; E254-R286 PolarHBondContact OE2-NH2 2.69Å; L255-R286 HydrophobicContact CD2-CB 3.88Å; L255-R286 HydrophobicContact CD2-CG 4.36Å; A282-R286 WeakPolarHBondContact O-CB 3.34Å; A282-R286 PolarHBondContact O-N 2.81Å; A282-R286 VanDerWaalsContact O-N 3.09Å |
| 287 | L | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -18.2 | -172.3 | -57.5 | -178.6 | 0 | 0 | 0 | 113.8 | L255 S257 I283 G289 C293 K294 L297 | L255-L287 HydrophobicContact CD2-CD1 4.01Å; L255-L287 HydrophobicContact CD2-CG 3.96Å; L255-L287 HydrophobicContact CG-CD1 3.86Å; L255-L287 HydrophobicContact CG-CG 4.36Å; S257-L287 VanDerWaalsContact OG-CD1 3.29Å; S257-L287 WeakPolarHBondContact OG-CD1 3.22Å; I283-L287 HydrophobicContact CG2-CB 4.49Å; I283-L287 HydrophobicContact CG2-CD1 4.49Å; I283-L287 WeakPolarHBondContact O-CA 3.25Å; I283-L287 WeakPolarHBondContact O-CB 3.49Å; I283-L287 PolarHBondContact O-N 3.26Å; L287-G289 PolarHBondContact O-N 3.5Å; L287-C293 HydrophobicContact CB-CB 4.44Å; L287-C293 CarbonylContact O-C 3.51Å; L287-C293 VanDerWaalsContact O-CA 3.26Å; L287-C293 WeakPolarHBondContact O-CA 3.44Å; L287-K294 HydrophobicContact CB-CB 4.42Å; L287-K294 HydrophobicContact CD2-CB 4.29Å; L287-K294 PolarHBondContact O-N 3.05Å; L287-L297 HydrophobicContact CD2-CD2 3.8Å; L287-L297 HydrophobicContact CD2-CG 3.8Å |
| 288 | Q | 95.6 | Very high | 95.6 | Very high | 62 Ų | 62 | 35.2 Ų | 35.2 | 29% | 0.29 | 18% | 0.181 | S | C | . | . | B | Isolated β-bridge | trans | -69.9 | 132.5 | 179.1 | -167 | -170.7 | -58.4 | 0 | 0 | 111.5 | I283 L284 | I283-Q288 PolarHBondContact O-N 3.31Å; L284-Q288 VanDerWaalsContact CD2-OE1 3.22Å; L284-Q288 WeakPolarHBondContact O-CB 3.15Å |
| 289 | G | 93.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 31.5 Ų | 31.5 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | trans | -120 | -158.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | L287 G292 Y332 | L287-G289 PolarHBondContact O-N 3.5Å; G289-G292 PolarHBondContact N-O 3.39Å; G289-Y332 PolarHBondContact O-OH 3.07Å; G289-Y332 VanDerWaalsContact O-OH 3.12Å | ||
| 290 | K | 94.1 | Very high | 95.2 | Very high | 144 Ų | 144 | 31.5 Ų | 31.5 | 63% | 0.626 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -81.2 | -34.2 | -178.8 | -175.8 | 178.7 | 176.6 | -173.7 | 0 | 112 | E327 Y332 | K290-E327 PolarHBondContact N-OE2 3.35Å; K290-Y332 PolarHBondContact O-OH 3.35Å; K290-Y332 VanDerWaalsContact O-OH 3.07Å |
| 291 | Y | 96.1 | Very high | 95 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 9% | 0.086 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -103.5 | 5.2 | -173.3 | -58.7 | -94.3 | 0 | 0 | 0 | 113.6 | E327 P329 I358 Y373 V391 R392 | Y291-E327 WeakPolarHBondContact CA-OE2 3.37Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.39Å; Y291-E327 WeakPolarHBondContact CD2-OE2 3.26Å; Y291-E327 PolarHBondContact N-OE2 3.41Å; Y291-P329 WeakPolarHBondContact O-CA 3.5Å; Y291-I358 HydrophobicContact CD1-CB 4.17Å; Y291-I358 HydrophobicContact CD1-CG2 3.66Å; Y291-I358 HydrophobicContact CE1-CG2 4.2Å; Y291-I358 HydrophobicContact CG-CG2 4.44Å; Y291-I358 WeakPolarHBondContact O-CD1 3.25Å; Y291-Y373 AromaticContact CD1-CD1 3.48Å; Y291-Y373 HydrophobicContact CD1-CD1 3.48Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.48Å; Y291-Y373 HydrophobicContact CD1-CD2 4.01Å; Y291-Y373 AromaticContact CD1-CE1 3.67Å; Y291-Y373 HydrophobicContact CD1-CE1 3.67Å; Y291-Y373 HydrophobicContact CD1-CE2 4.18Å; Y291-Y373 AromaticContact CD1-CG 3.67Å; Y291-Y373 HydrophobicContact CD1-CG 3.67Å; Y291-Y373 AromaticContact CE1-CD1 3.84Å; Y291-Y373 HydrophobicContact CE1-CD1 3.84Å; Y291-Y373 AromaticContact CE1-CE1 3.97Å; Y291-Y373 HydrophobicContact CE1-CE1 3.97Å; Y291-Y373 HydrophobicContact CE1-CG 4.44Å; Y291-Y373 HydrophobicContact CG-CD1 4.07Å; Y291-Y373 HydrophobicContact CG-CD2 4.15Å; Y291-Y373 AromaticContact CG-CG 3.83Å; Y291-Y373 HydrophobicContact CG-CG 3.83Å; Y291-V391 WeakPolarHBondContact OH-CG1 3.44Å; Y291-R392 HydrophobicContact CD2-CB 4.1Å; Y291-R392 HydrophobicContact CD2-CG 4.25Å; Y291-R392 HydrophobicContact CE2-CB 3.78Å; Y291-R392 HydrophobicContact CE2-CG 3.98Å; Y291-R392 PolarHBondContact OH-N 2.68Å |
| 292 | G | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 144.9 | -145.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | G289 W328 | G289-G292 PolarHBondContact N-O 3.39Å; G292-W328 WeakPolarHBondContact CA-O 3.5Å |
| 293 | C | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -117.8 | 150 | 170.7 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | S257 L287 W328 F331 | S257-C293 WeakPolarHBondContact OG-CB 3.33Å; L287-C293 HydrophobicContact CB-CB 4.44Å; L287-C293 CarbonylContact O-C 3.51Å; L287-C293 VanDerWaalsContact O-CA 3.26Å; L287-C293 WeakPolarHBondContact O-CA 3.44Å; C293-W328 PolarHBondContact N-O 3.21Å; C293-W328 PolarHBondContact O-N 3.33Å; C293-F331 HydrophobicContact CB-CB 3.76Å; C293-F331 HydrophobicContact CB-CD2 3.54Å; C293-F331 HydrophobicContact CB-CE2 4.36Å; C293-F331 HydrophobicContact CB-CG 3.85Å; C293-F331 VanDerWaalsContact O-CD2 3.28Å; C293-F331 WeakPolarHBondContact O-CD2 3.23Å; C293-F331 WeakPolarHBondContact O-CE2 3.44Å |
| 294 | K | 96.8 | Very high | 94.3 | Very high | 24 Ų | 24 | 35 Ų | 35 | 10% | 0.104 | 17% | 0.169 | C | C | . | . | trans | -66 | 150.6 | 164.5 | -58.5 | 170.3 | -178.5 | -170 | 0 | 108.9 | S257 L287 E325 E327 | S257-K294 WeakPolarHBondContact CB-O 3.17Å; S257-K294 PolarHBondContact OG-O 3.27Å; L287-K294 HydrophobicContact CB-CB 4.42Å; L287-K294 HydrophobicContact CD2-CB 4.29Å; L287-K294 PolarHBondContact O-N 3.05Å; K294-E325 HydrophobicContact CB-CB 4.43Å; K294-E325 HydrophobicContact CD-CB 3.87Å; K294-E325 HydrophobicContact CD-CG 4.3Å; K294-E325 WeakPolarHBondContact CE-OE2 3.42Å; K294-E325 HydrophobicContact CG-CB 4Å; K294-E325 IonicContact NZ-OE1 2.7Å; K294-E325 IonicContact NZ-OE2 3.76Å; K294-E325 PolarHBondContact NZ-OE2 3.11Å; K294-E327 HydrophobicContact CG-CG 4.49Å | ||
| 295 | R | 95.8 | Very high | 94 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 3% | 0.034 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -63.5 | -56.8 | 175 | -62.5 | -171.1 | -62.2 | 166.2 | 15.3 | 110.2 | W184 D256 S257 D299 W328 F331 | W184-R295 HydrophobicContact CD2-CG 4.41Å; W184-R295 HydrophobicContact CH2-CG 4.08Å; W184-R295 HydrophobicContact CZ2-CB 4.09Å; W184-R295 HydrophobicContact CZ2-CG 3.87Å; W184-R295 HydrophobicContact CZ3-CG 4.43Å; D256-R295 CarbonylContact C-O 3.57Å; D256-R295 WeakPolarHBondContact CA-O 3.4Å; S257-R295 PolarHBondContact N-O 3.42Å; R295-D299 IonicContact CZ-OD1 3.19Å; R295-D299 IonicContact CZ-OD2 2.7Å; R295-D299 IonicContact NE-OD2 3.12Å; R295-D299 PolarHBondContact NE-OD2 3.24Å; R295-D299 IonicContact NH2-OD1 3.18Å; R295-D299 PolarHBondContact NH2-OD1 3.15Å; R295-D299 IonicContact NH2-OD2 3.66Å; R295-D299 PolarHBondContact NH2-OD2 3.01Å; R295-W328 HydrophobicContact CG-CD2 4.25Å; R295-W328 HydrophobicContact CG-CG 4.26Å; R295-W328 HydrophobicContact CG-CZ2 4.41Å; R295-F331 HydrophobicContact CG-CE2 4.35Å; R295-F331 HydrophobicContact CG-CZ 4.43Å |
| 296 | F | 94.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -151.8 | 172.1 | 171.6 | 51.4 | -90.9 | 0 | 0 | 0 | 109.4 | W184 K189 K253 L255 D256 D299 | W184-F296 AromaticContact CD1-CD1 3.94Å; W184-F296 AromaticContact CD1-CE1 3.79Å; W184-F296 HydrophobicContact CG-CE1 4.38Å; K189-F296 HydrophobicContact CG-CD2 4.41Å; K189-F296 HydrophobicContact CG-CE2 3.97Å; K253-F296 HydrophobicContact CD-CD1 4.01Å; K253-F296 HydrophobicContact CD-CD2 4.42Å; K253-F296 HydrophobicContact CD-CE1 4.31Å; K253-F296 HydrophobicContact CD-CG 4.08Å; K253-F296 HydrophobicContact CG-CG 4.49Å; L255-F296 VanDerWaalsContact O-CB 3.29Å; L255-F296 WeakPolarHBondContact O-CB 3.37Å; D256-F296 VanDerWaalsContact OD2-CD1 3.31Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.48Å; F296-D299 HydrophobicContact CD2-CB 3.87Å; F296-D299 HydrophobicContact CE1-CB 4.32Å; F296-D299 HydrophobicContact CE2-CB 3.61Å; F296-D299 HydrophobicContact CG-CB 4.32Å; F296-D299 HydrophobicContact CZ-CB 3.86Å; F296-D299 WeakPolarHBondContact O-CB 3.4Å |
| 297 | L | 93.1 | Very high | 93.4 | Very high | 31 Ų | 31 | 32.4 Ų | 32.4 | 16% | 0.162 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 142.2 | -178.6 | -67.4 | 171.9 | 0 | 0 | 0 | 111.9 | K189 E254 L287 D299 | K189-L297 WeakPolarHBondContact CE-O 3.43Å; K189-L297 PolarHBondContact NZ-O 3.38Å; E254-L297 HydrophobicContact CG-CD1 4.33Å; E254-L297 VanDerWaalsContact OE1-CD1 3.27Å; E254-L297 WeakPolarHBondContact OE1-CD1 3.36Å; L287-L297 HydrophobicContact CD2-CD2 3.8Å; L287-L297 HydrophobicContact CD2-CG 3.8Å; L297-D299 PolarHBondContact O-N 3.21Å |
| 298 | R | 92.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 34.3 | -176.3 | -60.4 | -177.6 | 175.6 | 171.3 | 2.7 | 113.6 | G300 L318 E322 E325 T1063 Q1064 M1066 T1067 | R298-G300 PolarHBondContact O-N 3.09Å; R298-L318 HydrophobicContact CB-CB 4.47Å; R298-L318 VanDerWaalsContact CB-O 3.29Å; R298-L318 WeakPolarHBondContact CB-O 3.44Å; R298-L318 WeakPolarHBondContact CD-O 3.46Å; R298-L318 WeakPolarHBondContact CG-O 3.45Å; R298-E322 HydrophobicContact CG-CB 4.03Å; R298-E322 HydrophobicContact CG-CG 4.26Å; R298-E322 IonicContact CZ-OE2 3.88Å; R298-E322 VanDerWaalsContact CZ-OE2 3.28Å; R298-E322 IonicContact NE-OE2 3.61Å; R298-E322 PolarHBondContact NE-OE2 3.32Å; R298-E322 IonicContact NH2-OE2 3.63Å; R298-E322 PolarHBondContact NH2-OE2 2.55Å; R298-E325 PolarHBondContact N-OE1 2.87Å; R298-T1063 PolarHBondContact NH1-O 3.48Å; R298-T1063 PolarHBondContact NH2-O 3.34Å; R298-Q1064 PolarHBondContact NH1-O 3.48Å; R298-Q1064 VanDerWaalsContact NH1-O 3.16Å; R298-M1066 VanDerWaalsContact NH1-C 3.31Å; R298-M1066 PolarHBondContact NH1-O 3.29Å; R298-T1067 HydrophobicContact CG-CG2 4.46Å |
| 299 | D | 92.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | trans | -77.8 | 118 | 171.9 | 179.8 | 21.4 | 0 | 0 | 0 | 111 | R186 R295 F296 L297 Y301 T303 E325 | R186-D299 IonicContact NH1-OD1 2.68Å; R186-D299 PolarHBondContact NH1-OD1 2.59Å; R295-D299 IonicContact CZ-OD1 3.19Å; R295-D299 IonicContact CZ-OD2 2.7Å; R295-D299 IonicContact NE-OD2 3.12Å; R295-D299 PolarHBondContact NE-OD2 3.24Å; R295-D299 IonicContact NH2-OD1 3.18Å; R295-D299 PolarHBondContact NH2-OD1 3.15Å; R295-D299 IonicContact NH2-OD2 3.66Å; R295-D299 PolarHBondContact NH2-OD2 3.01Å; F296-D299 HydrophobicContact CD2-CB 3.87Å; F296-D299 HydrophobicContact CE1-CB 4.32Å; F296-D299 HydrophobicContact CE2-CB 3.61Å; F296-D299 HydrophobicContact CG-CB 4.32Å; F296-D299 HydrophobicContact CZ-CB 3.86Å; F296-D299 WeakPolarHBondContact O-CB 3.4Å; L297-D299 PolarHBondContact O-N 3.21Å; D299-Y301 PolarHBondContact OD1-N 3.32Å; D299-T303 WeakPolarHBondContact O-CG2 3.33Å; D299-E325 HydrophobicContact CB-CG 4.48Å | ||
| 300 | G | 90.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -81.1 | -12.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R298 R302 T303 E306 Y313 F321 | R298-G300 PolarHBondContact O-N 3.09Å; G300-R302 PolarHBondContact O-N 2.87Å; G300-T303 WeakPolarHBondContact O-CB 3.45Å; G300-T303 WeakPolarHBondContact O-CG2 3.43Å; G300-T303 PolarHBondContact O-N 3.2Å; G300-T303 PolarHBondContact O-OG1 3.31Å; G300-E306 WeakPolarHBondContact O-CB 3.28Å; G300-Y313 VanDerWaalsContact C-OH 3.25Å; G300-F321 VanDerWaalsContact CA-CE2 3.5Å | ||
| 301 | Y | 91.8 | Very high | 90.6 | Very high | 52 Ų | 52 | 41.3 Ų | 41.3 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 122.4 | -170.4 | 179.9 | -103 | 0 | 0 | 0 | 113.1 | D299 T303 E306 Y313 C326 W328 E371 | D299-Y301 PolarHBondContact OD1-N 3.32Å; Y301-T303 PolarHBondContact O-N 3.17Å; Y301-T303 VanDerWaalsContact O-N 3.17Å; Y301-E306 WeakPolarHBondContact CA-OE1 3.23Å; Y301-Y313 PolarHBondContact N-OH 3.45Å; Y301-C326 PolarHBondContact O-SG 3.03Å; Y301-C326 VanDerWaalsContact O-SG 3.4Å; Y301-W328 AromaticContact CD1-CZ2 3.71Å; Y301-W328 HydrophobicContact CD1-CZ2 3.71Å; Y301-W328 AromaticContact CE1-CH2 3.99Å; Y301-W328 HydrophobicContact CE1-CH2 3.99Å; Y301-W328 AromaticContact CE1-CZ2 3.53Å; Y301-W328 HydrophobicContact CE1-CZ2 3.53Å; Y301-E371 PolarHBondContact OH-OE1 3.2Å |
| 302 | R | 91.6 | Very high | 89.9 | Confident | 103 Ų | 103 | 45.2 Ų | 45.2 | 39% | 0.389 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 17.4 | -175.6 | -62.4 | -176.9 | 176.4 | -82.6 | -3.1 | 114.5 | G300 E306 C326 E371 V395 | G300-R302 PolarHBondContact O-N 2.87Å; R302-E306 WeakPolarHBondContact CA-OE2 3.47Å; R302-E306 PolarHBondContact N-OE2 2.91Å; R302-C326 VanDerWaalsContact C-SG 3.6Å; R302-C326 PolarHBondContact O-SG 3.17Å; R302-C326 VanDerWaalsContact O-SG 3.41Å; R302-E371 IonicContact NE-OE1 3.42Å; R302-V395 HydrophobicContact CB-CG2 4.09Å |
| 303 | T | 93.1 | Very high | 89.3 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | trans | -70.9 | 155 | 172.3 | 66.7 | 0 | 0 | 0 | 0 | 109.8 | D299 G300 Y301 K305 E306 F321 | D299-T303 WeakPolarHBondContact O-CG2 3.33Å; G300-T303 WeakPolarHBondContact O-CB 3.45Å; G300-T303 WeakPolarHBondContact O-CG2 3.43Å; G300-T303 PolarHBondContact O-N 3.2Å; G300-T303 PolarHBondContact O-OG1 3.31Å; Y301-T303 PolarHBondContact O-N 3.17Å; Y301-T303 VanDerWaalsContact O-N 3.17Å; T303-K305 PolarHBondContact O-N 3.45Å; T303-E306 WeakPolarHBondContact O-CB 3.46Å; T303-E306 PolarHBondContact O-N 3.4Å; T303-F321 WeakPolarHBondContact OG1-CD1 3.42Å; T303-F321 WeakPolarHBondContact OG1-CE1 2.99Å | ||
| 304 | P | 91.1 | Very high | 88.5 | Confident | 24 Ų | 24 | 49 Ų | 49 | 16% | 0.156 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -11.5 | -178.4 | -17.8 | 31.8 | 0 | 0 | 0 | 113.7 | V375 Q377 V380 | P304-V375 HydrophobicContact CG-CB 4.39Å; P304-V375 WeakPolarHBondContact CG-O 3.13Å; P304-Q377 VanDerWaalsContact CA-OE1 3.3Å; P304-Q377 VanDerWaalsContact O-CD 3.32Å; P304-Q377 PolarHBondContact O-NE2 2.84Å; P304-Q377 PolarHBondContact O-OE1 2.79Å; P304-V380 HydrophobicContact CB-CG2 3.79Å; P304-V380 HydrophobicContact CG-CG2 3.87Å |
| 305 | K | 90.9 | Very high | 87.5 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -3.6 | 177.3 | -65.1 | -60.6 | -172 | 177.5 | 0 | 113.2 | T303 M320 F321 I324 | T303-K305 PolarHBondContact O-N 3.45Å; K305-M320 HydrophobicContact CB-CE 4.32Å; K305-M320 HydrophobicContact CD-CE 3.91Å; K305-M320 HydrophobicContact CG-CE 4.15Å; K305-F321 HydrophobicContact CB-CD1 4.25Å; K305-F321 HydrophobicContact CB-CE1 4.06Å; K305-I324 HydrophobicContact CB-CD1 4.18Å; K305-I324 HydrophobicContact CG-CD1 3.76Å |
| 306 | E | 90.6 | Very high | 86.5 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | trans | -72 | 137.4 | 177 | -172.7 | 176 | -132.7 | 0 | 0 | 111 | R186 G300 Y301 R302 T303 P308 Y313 | R186-E306 IonicContact NH2-OE1 3.42Å; G300-E306 WeakPolarHBondContact O-CB 3.28Å; Y301-E306 WeakPolarHBondContact CA-OE1 3.23Å; R302-E306 WeakPolarHBondContact CA-OE2 3.47Å; R302-E306 PolarHBondContact N-OE2 2.91Å; T303-E306 WeakPolarHBondContact O-CB 3.46Å; T303-E306 PolarHBondContact O-N 3.4Å; E306-P308 VanDerWaalsContact O-CD 3.24Å; E306-P308 WeakPolarHBondContact O-CD 3.46Å; E306-Y313 HydrophobicContact CG-CE1 3.99Å; E306-Y313 WeakPolarHBondContact OE1-CE1 3.24Å; E306-Y313 PolarHBondContact OE1-OH 3.05Å | ||
| 307 | D | 86.4 | Confident | 86 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | trans | -85.2 | 106 | 163.5 | -177.3 | -7.4 | 0 | 0 | 0 | 109.9 | S309 R310 | D307-S309 VanDerWaalsContact CG-OG 3.28Å; D307-S309 PolarHBondContact O-N 2.91Å; D307-S309 VanDerWaalsContact OD1-CB 3.31Å; D307-S309 WeakPolarHBondContact OD1-CB 3.48Å; D307-S309 PolarHBondContact OD1-N 3.1Å; D307-S309 PolarHBondContact OD1-OG 2.57Å; D307-S309 PolarHBondContact OD2-OG 3.16Å; D307-R310 PolarHBondContact O-N 3.15Å | ||
| 308 | P | 83.2 | Confident | 85.7 | Confident | 119 Ų | 119 | 59.9 Ų | 59.9 | 77% | 0.773 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -8.1 | -177.4 | 32.2 | -36.9 | 0 | 0 | 0 | 113.4 | E306 | E306-P308 VanDerWaalsContact O-CD 3.24Å; E306-P308 WeakPolarHBondContact O-CD 3.46Å |
| 309 | S | 83.9 | Confident | 85.4 | Confident | 100 Ų | 100 | 63.7 Ų | 63.7 | 70% | 0.699 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.6 | 179.4 | 74.4 | 0 | 0 | 0 | 0 | 113.4 | D307 | D307-S309 VanDerWaalsContact CG-OG 3.28Å; D307-S309 PolarHBondContact O-N 2.91Å; D307-S309 VanDerWaalsContact OD1-CB 3.31Å; D307-S309 WeakPolarHBondContact OD1-CB 3.48Å; D307-S309 PolarHBondContact OD1-N 3.1Å; D307-S309 PolarHBondContact OD1-OG 2.57Å; D307-S309 PolarHBondContact OD2-OG 3.16Å |
| 310 | R | 81.2 | Confident | 85.3 | Confident | 103 Ų | 103 | 66.4 Ų | 66.4 | 39% | 0.389 | 31% | 0.308 | S | S | . | . | trans | -112.5 | 141.1 | -179.3 | -78.2 | 171.4 | 49.5 | 144.8 | 2.2 | 111.5 | D307 Y312 E314 | D307-R310 PolarHBondContact O-N 3.15Å; R310-Y312 PolarHBondContact NE-O 3.18Å; R310-Y312 PolarHBondContact NH2-O 2.67Å; R310-E314 IonicContact CZ-OE1 3.2Å; R310-E314 IonicContact NH1-OE1 3.21Å; R310-E314 PolarHBondContact NH1-OE1 3.05Å; R310-E314 VanDerWaalsContact NH2-CD 3.33Å; R310-E314 IonicContact NH2-OE1 2.93Å; R310-E314 PolarHBondContact NH2-OE1 3.21Å | ||
| 311 | L | 73.3 | Confident | 85.4 | Confident | 91 Ų | 91 | 66.4 Ų | 66.4 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -76.6 | -34.3 | 172.7 | -171.4 | 63.5 | 0 | 0 | 0 | 111.7 | N191 | N191-L311 PolarHBondContact ND2-O 3.25Š|
| 312 | Y | 81.4 | Confident | 85.3 | Confident | 104 Ų | 104 | 67 Ų | 67 | 41% | 0.408 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -111.5 | 137.8 | -170.7 | -51.1 | -38.4 | 0 | 0 | 0 | 112.4 | N191 R310 | N191-Y312 WeakPolarHBondContact O-CD1 3.46Å; N191-Y312 WeakPolarHBondContact O-CE1 3.38Å; R310-Y312 PolarHBondContact NE-O 3.18Å; R310-Y312 PolarHBondContact NH2-O 2.67Å |
| 313 | Y | 82.5 | Confident | 85.4 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | trans | -80 | 147.1 | 177 | -57 | -38.8 | 0 | 0 | 0 | 111.3 | R186 T190 H192 G300 Y301 E306 E317 L318 F321 | R186-Y313 VanDerWaalsContact CZ-OH 3.26Å; R186-Y313 VanDerWaalsContact NH1-CE2 3.29Å; R186-Y313 PolarHBondContact NH1-OH 3.09Å; R186-Y313 PolarHBondContact NH2-OH 3.41Å; T190-Y313 PolarHBondContact O-N 3.19Å; H192-Y313 PolarHBondContact CE1-O 2.71Å; G300-Y313 VanDerWaalsContact C-OH 3.25Å; Y301-Y313 PolarHBondContact N-OH 3.45Å; E306-Y313 HydrophobicContact CG-CE1 3.99Å; E306-Y313 WeakPolarHBondContact OE1-CE1 3.24Å; E306-Y313 PolarHBondContact OE1-OH 3.05Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.47Å; Y313-L318 HydrophobicContact CD2-CD2 3.95Å; Y313-F321 HydrophobicContact CD1-CE2 4.24Å; Y313-F321 HydrophobicContact CD1-CZ 4.3Å; Y313-F321 HydrophobicContact CD2-CE2 4.12Å; Y313-F321 HydrophobicContact CE1-CE2 4.34Å; Y313-F321 HydrophobicContact CE1-CZ 4.34Å; Y313-F321 HydrophobicContact CE2-CE2 4.17Å; Y313-F321 HydrophobicContact CG-CE2 4.14Å | ||
| 314 | E | 81.5 | Confident | 85.5 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 35% | 0.346 | 31% | 0.307 | S | S | . | . | trans | -71 | 148.1 | 158.7 | -64 | -60.2 | 153.7 | 0 | 0 | 110 | R310 W316 E317 | R310-E314 IonicContact CZ-OE1 3.2Å; R310-E314 IonicContact NH1-OE1 3.21Å; R310-E314 PolarHBondContact NH1-OE1 3.05Å; R310-E314 VanDerWaalsContact NH2-CD 3.33Å; R310-E314 IonicContact NH2-OE1 2.93Å; R310-E314 PolarHBondContact NH2-OE1 3.21Å; E314-W316 HydrophobicContact CB-CD2 4.44Å; E314-W316 HydrophobicContact CB-CG 4.44Å; E314-W316 HydrophobicContact CB-CZ2 4.15Å; E314-W316 VanDerWaalsContact CB-NE1 3.27Å; E314-W316 HydrophobicContact CG-CZ2 4.26Å; E314-W316 PolarHBondContact O-N 3.34Å; E314-W316 VanDerWaalsContact O-N 3.15Å; E314-E317 HydrophobicContact CB-CG 4.04Å; E314-E317 PolarHBondContact N-OE2 3.18Å; E314-E317 WeakPolarHBondContact O-CB 3.39Å; E314-E317 PolarHBondContact O-N 2.87Å | ||
| 315 | R | 75 | Confident | 85.7 | Confident | 143 Ų | 143 | 63.5 Ų | 63.5 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -35.2 | -173.6 | -65 | -172.9 | -177.7 | -169 | 0.2 | 114.1 | E1065 | R315-E1065 HydrophobicContact CB-CG 3.79Å; R315-E1065 WeakPolarHBondContact CB-OE1 3.4Å; R315-E1065 WeakPolarHBondContact CD-OE1 3.35Å; R315-E1065 IonicContact NH1-OE1 2.95Å; R315-E1065 IonicContact NH1-OE2 3.61Å |
| 316 | W | 75.9 | Confident | 86 | Confident | 131 Ų | 131 | 59.9 Ų | 59.9 | 50% | 0.496 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -19.3 | 179.9 | 57.6 | -93.8 | 0 | 0 | 0 | 113.6 | E314 L318 R319 M320 | E314-W316 HydrophobicContact CB-CD2 4.44Å; E314-W316 HydrophobicContact CB-CG 4.44Å; E314-W316 HydrophobicContact CB-CZ2 4.15Å; E314-W316 VanDerWaalsContact CB-NE1 3.27Å; E314-W316 HydrophobicContact CG-CZ2 4.26Å; E314-W316 PolarHBondContact O-N 3.34Å; E314-W316 VanDerWaalsContact O-N 3.15Å; W316-L318 VanDerWaalsContact C-N 3.28Å; W316-L318 PolarHBondContact O-N 2.78Å; W316-R319 PolarHBondContact O-N 3.28Å; W316-M320 HydrophobicContact CE3-CG 4.45Å; W316-M320 HydrophobicContact CE3-SD 3.76Å; W316-M320 HydrophobicContact CH2-SD 4.3Å; W316-M320 HydrophobicContact CZ3-CG 4.47Å; W316-M320 HydrophobicContact CZ3-SD 3.25Å; W316-M320 WeakPolarHBondContact CZ3-SD 3.45Å |
| 317 | E | 83.9 | Confident | 86.3 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.5 | -29.3 | -177.7 | -71.8 | -179.1 | 117.6 | 0 | 0 | 112.2 | Y313 E314 R319 M320 F321 | Y313-E317 WeakPolarHBondContact CA-OE2 3.47Å; E314-E317 HydrophobicContact CB-CG 4.04Å; E314-E317 PolarHBondContact N-OE2 3.18Å; E314-E317 WeakPolarHBondContact O-CB 3.39Å; E314-E317 PolarHBondContact O-N 2.87Å; E317-R319 VanDerWaalsContact C-N 3.25Å; E317-R319 PolarHBondContact O-N 3.27Å; E317-M320 WeakPolarHBondContact O-CA 3.32Å; E317-M320 VanDerWaalsContact O-CB 3.26Å; E317-M320 WeakPolarHBondContact O-CB 3.46Å; E317-M320 PolarHBondContact O-N 3.44Å; E317-F321 HydrophobicContact CB-CE2 3.91Å; E317-F321 HydrophobicContact CB-CZ 3.76Å; E317-F321 WeakPolarHBondContact O-CD2 3.21Å; E317-F321 PolarHBondContact O-N 2.97Å |
| 318 | L | 86.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -40 | 179.9 | -66.6 | -176.4 | 0 | 0 | 0 | 112.3 | K189 T190 R298 Y313 W316 M320 F321 E1065 | K189-L318 HydrophobicContact CD-CD1 4.36Å; K189-L318 HydrophobicContact CG-CD1 4.3Å; K189-L318 HydrophobicContact CG-CD2 4.43Å; T190-L318 HydrophobicContact CG2-CD1 3.78Å; R298-L318 HydrophobicContact CB-CB 4.47Å; R298-L318 VanDerWaalsContact CB-O 3.29Å; R298-L318 WeakPolarHBondContact CB-O 3.44Å; R298-L318 WeakPolarHBondContact CD-O 3.46Å; R298-L318 WeakPolarHBondContact CG-O 3.45Å; Y313-L318 HydrophobicContact CD2-CD2 3.95Å; W316-L318 VanDerWaalsContact C-N 3.28Å; W316-L318 PolarHBondContact O-N 2.78Å; L318-M320 VanDerWaalsContact C-N 3.26Å; L318-M320 PolarHBondContact O-N 2.82Å; L318-F321 HydrophobicContact CD2-CD2 4.17Å; L318-F321 HydrophobicContact CD2-CE2 4.29Å; L318-F321 PolarHBondContact O-N 3.49Å; L318-E1065 VanDerWaalsContact CD1-O 3.27Å; L318-E1065 WeakPolarHBondContact CD1-O 3.47Å |
| 319 | R | 87.3 | Confident | 87.5 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.3 | -30.2 | 176 | -166.4 | 173.1 | -173.8 | 140.2 | 5.1 | 112.5 | W316 E317 F321 E322 E1046 T1063 Q1064 | W316-R319 PolarHBondContact O-N 3.28Å; E317-R319 VanDerWaalsContact C-N 3.25Å; E317-R319 PolarHBondContact O-N 3.27Å; R319-F321 VanDerWaalsContact C-N 3.29Å; R319-F321 PolarHBondContact O-N 2.89Å; R319-E322 VanDerWaalsContact O-CB 3.3Å; R319-E322 WeakPolarHBondContact O-CB 3.25Å; R319-E322 PolarHBondContact O-N 2.99Å; R319-E1046 IonicContact CZ-OE1 2.74Å; R319-E1046 IonicContact NH2-OE1 3.7Å; R319-E1046 PolarHBondContact NH2-OE1 3.43Å; R319-T1063 PolarHBondContact NH1-OG1 2.71Å; R319-Q1064 HydrophobicContact CB-CB 4.05Å; R319-Q1064 WeakPolarHBondContact CB-O 3.47Å; R319-Q1064 PolarHBondContact N-O 3.03Å |
| 320 | M | 89.8 | Confident | 88.1 | Confident | 58 Ų | 58 | 45.5 Ų | 45.5 | 29% | 0.286 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.8 | -29.3 | 177.9 | -58.7 | -177.4 | 71.7 | 0 | 0 | 112.2 | K305 W316 E317 L318 E322 I324 Y384 | K305-M320 HydrophobicContact CB-CE 4.32Å; K305-M320 HydrophobicContact CD-CE 3.91Å; K305-M320 HydrophobicContact CG-CE 4.15Å; W316-M320 HydrophobicContact CE3-CG 4.45Å; W316-M320 HydrophobicContact CE3-SD 3.76Å; W316-M320 HydrophobicContact CH2-SD 4.3Å; W316-M320 HydrophobicContact CZ3-CG 4.47Å; W316-M320 HydrophobicContact CZ3-SD 3.25Å; W316-M320 WeakPolarHBondContact CZ3-SD 3.45Å; E317-M320 WeakPolarHBondContact O-CA 3.32Å; E317-M320 VanDerWaalsContact O-CB 3.26Å; E317-M320 WeakPolarHBondContact O-CB 3.46Å; E317-M320 PolarHBondContact O-N 3.44Å; L318-M320 VanDerWaalsContact C-N 3.26Å; L318-M320 PolarHBondContact O-N 2.82Å; M320-E322 PolarHBondContact O-N 3.31Å; M320-I324 WeakPolarHBondContact O-CD1 3.34Å; M320-I324 WeakPolarHBondContact O-CG1 3.47Å; M320-Y384 WeakPolarHBondContact O-CE1 3.18Å; M320-Y384 PolarHBondContact O-OH 3.39Å |
| 321 | F | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.9 | -15.6 | 179.6 | -51.1 | -40.9 | 0 | 0 | 0 | 112.8 | G300 T303 K305 Y313 E317 L318 R319 N323 I324 E325 | G300-F321 VanDerWaalsContact CA-CE2 3.5Å; T303-F321 WeakPolarHBondContact OG1-CD1 3.42Å; T303-F321 WeakPolarHBondContact OG1-CE1 2.99Å; K305-F321 HydrophobicContact CB-CD1 4.25Å; K305-F321 HydrophobicContact CB-CE1 4.06Å; Y313-F321 HydrophobicContact CD1-CE2 4.24Å; Y313-F321 HydrophobicContact CD1-CZ 4.3Å; Y313-F321 HydrophobicContact CD2-CE2 4.12Å; Y313-F321 HydrophobicContact CE1-CE2 4.34Å; Y313-F321 HydrophobicContact CE1-CZ 4.34Å; Y313-F321 HydrophobicContact CE2-CE2 4.17Å; Y313-F321 HydrophobicContact CG-CE2 4.14Å; E317-F321 HydrophobicContact CB-CE2 3.91Å; E317-F321 HydrophobicContact CB-CZ 3.76Å; E317-F321 WeakPolarHBondContact O-CD2 3.21Å; E317-F321 PolarHBondContact O-N 2.97Å; L318-F321 HydrophobicContact CD2-CD2 4.17Å; L318-F321 HydrophobicContact CD2-CE2 4.29Å; L318-F321 PolarHBondContact O-N 3.49Å; R319-F321 VanDerWaalsContact C-N 3.29Å; R319-F321 PolarHBondContact O-N 2.89Å; F321-N323 PolarHBondContact O-N 3.16Å; F321-I324 VanDerWaalsContact O-CG1 3.25Å; F321-I324 WeakPolarHBondContact O-CG1 3.5Å; F321-I324 PolarHBondContact O-N 2.97Å; F321-I324 VanDerWaalsContact O-N 3.12Å; F321-E325 VanDerWaalsContact O-CD 3.22Å; F321-E325 VanDerWaalsContact O-CG 3.31Å; F321-E325 WeakPolarHBondContact O-CG 3.32Å; F321-E325 PolarHBondContact O-N 3.17Å |
| 322 | E | 91.3 | Very high | 90.1 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 31% | 0.308 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 129.6 | -180 | -162.6 | 173.2 | 159.5 | 0 | 0 | 111.6 | R298 R319 M320 I324 Y384 | R298-E322 HydrophobicContact CG-CB 4.03Å; R298-E322 HydrophobicContact CG-CG 4.26Å; R298-E322 IonicContact CZ-OE2 3.88Å; R298-E322 VanDerWaalsContact CZ-OE2 3.28Å; R298-E322 IonicContact NE-OE2 3.61Å; R298-E322 PolarHBondContact NE-OE2 3.32Å; R298-E322 IonicContact NH2-OE2 3.63Å; R298-E322 PolarHBondContact NH2-OE2 2.55Å; R319-E322 VanDerWaalsContact O-CB 3.3Å; R319-E322 WeakPolarHBondContact O-CB 3.25Å; R319-E322 PolarHBondContact O-N 2.99Å; M320-E322 PolarHBondContact O-N 3.31Å; E322-I324 PolarHBondContact O-N 3.44Å; E322-Y384 WeakPolarHBondContact O-CE1 3.19Å |
| 323 | N | 92.9 | Very high | 90.8 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 30% | 0.299 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -9.2 | -177.6 | -55.7 | -56.3 | 0 | 0 | 0 | 116.4 | F321 E325 P387 | F321-N323 PolarHBondContact O-N 3.16Å; N323-E325 VanDerWaalsContact CA-OE2 3.22Å; N323-E325 WeakPolarHBondContact CA-OE2 3.35Å; N323-E325 PolarHBondContact N-OE2 3.46Å; N323-P387 HydrophobicContact CB-CB 4.1Å; N323-P387 HydrophobicContact CB-CG 4.01Å |
| 324 | I | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 3.8 | 176.9 | 63.9 | 164.2 | 0 | 0 | 0 | 113.1 | K305 M320 F321 E322 V375 V380 E383 Y384 | K305-I324 HydrophobicContact CB-CD1 4.18Å; K305-I324 HydrophobicContact CG-CD1 3.76Å; M320-I324 WeakPolarHBondContact O-CD1 3.34Å; M320-I324 WeakPolarHBondContact O-CG1 3.47Å; F321-I324 VanDerWaalsContact O-CG1 3.25Å; F321-I324 WeakPolarHBondContact O-CG1 3.5Å; F321-I324 PolarHBondContact O-N 2.97Å; F321-I324 VanDerWaalsContact O-N 3.12Å; E322-I324 PolarHBondContact O-N 3.44Å; I324-V375 HydrophobicContact CB-CG2 4.49Å; I324-V380 HydrophobicContact CD1-CG1 4.4Å; I324-V380 HydrophobicContact CG2-CG1 4.29Å; I324-E383 HydrophobicContact CG2-CB 4.3Å; I324-E383 HydrophobicContact CG2-CG 4.01Å; I324-Y384 HydrophobicContact CD1-CE1 4.41Å; I324-Y384 WeakPolarHBondContact CD1-OH 3.39Å; I324-Y384 HydrophobicContact CG1-CE1 4.3Å; I324-Y384 HydrophobicContact CG2-CD1 4.02Å; I324-Y384 HydrophobicContact CG2-CE1 3.64Å |
| 325 | E | 95.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 140.9 | -177.5 | -53.1 | 93.7 | 146.4 | 0 | 0 | 111.4 | K294 R298 D299 F321 N323 R392 | K294-E325 HydrophobicContact CB-CB 4.43Å; K294-E325 HydrophobicContact CD-CB 3.87Å; K294-E325 HydrophobicContact CD-CG 4.3Å; K294-E325 WeakPolarHBondContact CE-OE2 3.42Å; K294-E325 HydrophobicContact CG-CB 4Å; K294-E325 IonicContact NZ-OE1 2.7Å; K294-E325 IonicContact NZ-OE2 3.76Å; K294-E325 PolarHBondContact NZ-OE2 3.11Å; R298-E325 PolarHBondContact N-OE1 2.87Å; D299-E325 HydrophobicContact CB-CG 4.48Å; F321-E325 VanDerWaalsContact O-CD 3.22Å; F321-E325 VanDerWaalsContact O-CG 3.31Å; F321-E325 WeakPolarHBondContact O-CG 3.32Å; F321-E325 PolarHBondContact O-N 3.17Å; N323-E325 VanDerWaalsContact CA-OE2 3.22Å; N323-E325 WeakPolarHBondContact CA-OE2 3.35Å; N323-E325 PolarHBondContact N-OE2 3.46Å; E325-R392 PolarHBondContact O-NH1 3.12Å; E325-R392 PolarHBondContact O-NH2 2.95Å |
| 326 | C | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 142 | -179.7 | -70.9 | 0 | 0 | 0 | 0 | 112.6 | Y301 R302 Y373 | Y301-C326 PolarHBondContact O-SG 3.03Å; Y301-C326 VanDerWaalsContact O-SG 3.4Å; R302-C326 VanDerWaalsContact C-SG 3.6Å; R302-C326 PolarHBondContact O-SG 3.17Å; R302-C326 VanDerWaalsContact O-SG 3.41Å; C326-Y373 WeakPolarHBondContact CA-O 3.36Å |
| 327 | E | 97.2 | Very high | 94.3 | Very high | 10 Ų | 10 | 15.3 Ų | 15.3 | 5% | 0.047 | 7% | 0.07 | C | C | . | . | B | Isolated β-bridge | trans | -101.8 | 132.1 | 178.1 | -65.6 | -180 | -165.4 | 0 | 0 | 110.2 | K290 Y291 K294 S372 Y373 R392 | K290-E327 PolarHBondContact N-OE2 3.35Å; Y291-E327 WeakPolarHBondContact CA-OE2 3.37Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.39Å; Y291-E327 WeakPolarHBondContact CD2-OE2 3.26Å; Y291-E327 PolarHBondContact N-OE2 3.41Å; K294-E327 HydrophobicContact CG-CG 4.49Å; E327-S372 CarbonylContact O-C 3.44Å; E327-S372 WeakPolarHBondContact O-CA 3.05Å; E327-Y373 PolarHBondContact N-O 2.58Å; E327-Y373 PolarHBondContact O-N 3.03Å; E327-R392 IonicContact OE1-CZ 3.42Å; E327-R392 IonicContact OE1-NE 2.79Å; E327-R392 PolarHBondContact OE1-NE 2.88Å; E327-R392 IonicContact OE1-NH2 3.55Å |
| 328 | W | 97.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 15 Ų | 15 | 3% | 0.03 | 7% | 0.069 | C | C | . | . | B | Isolated β-bridge | trans | -110.5 | 116.1 | -172.5 | -72.6 | 62.1 | 0 | 0 | 0 | 111.5 | G292 C293 R295 Y301 L330 F331 E371 F400 | G292-W328 WeakPolarHBondContact CA-O 3.5Å; C293-W328 PolarHBondContact N-O 3.21Å; C293-W328 PolarHBondContact O-N 3.33Å; R295-W328 HydrophobicContact CG-CD2 4.25Å; R295-W328 HydrophobicContact CG-CG 4.26Å; R295-W328 HydrophobicContact CG-CZ2 4.41Å; Y301-W328 AromaticContact CD1-CZ2 3.71Å; Y301-W328 HydrophobicContact CD1-CZ2 3.71Å; Y301-W328 AromaticContact CE1-CH2 3.99Å; Y301-W328 HydrophobicContact CE1-CH2 3.99Å; Y301-W328 AromaticContact CE1-CZ2 3.53Å; Y301-W328 HydrophobicContact CE1-CZ2 3.53Å; W328-L330 HydrophobicContact CB-CB 4.5Å; W328-L330 PolarHBondContact O-N 3.22Å; W328-L330 VanDerWaalsContact O-N 3.15Å; W328-F331 HydrophobicContact CB-CD2 3.71Å; W328-F331 HydrophobicContact CB-CE2 3.63Å; W328-F331 HydrophobicContact CG-CE2 4.22Å; W328-F331 WeakPolarHBondContact O-CD2 3.18Å; W328-F331 PolarHBondContact O-N 2.93Å; W328-E371 HydrophobicContact CE3-CG 4.26Å; W328-E371 VanDerWaalsContact CE3-O 3.23Å; W328-E371 HydrophobicContact CH2-CG 3.62Å; W328-E371 HydrophobicContact CZ2-CG 4.31Å; W328-E371 HydrophobicContact CZ3-CG 3.59Å; W328-F400 HydrophobicContact CE3-CE1 4.38Å; W328-F400 HydrophobicContact CZ3-CE1 4.07Å; W328-F400 HydrophobicContact CZ3-CZ 4.12Å |
| 329 | P | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.4 | 176.4 | -24.5 | 34.7 | 0 | 0 | 0 | 114 | Y291 F331 Y332 C333 L355 I358 V369 P370 Y373 | Y291-P329 WeakPolarHBondContact O-CA 3.5Å; P329-F331 PolarHBondContact O-N 3.44Å; P329-F331 VanDerWaalsContact O-N 3.14Å; P329-Y332 WeakPolarHBondContact O-CB 3.47Å; P329-Y332 PolarHBondContact O-N 3.22Å; P329-C333 PolarHBondContact O-N 3.4Å; P329-L355 HydrophobicContact CB-CD1 3.84Å; P329-I358 HydrophobicContact CB-CD1 3.94Å; P329-I358 HydrophobicContact CG-CD1 3.96Å; P329-V369 HydrophobicContact CB-CG1 4Å; P329-P370 HydrophobicContact CG-CG 4.17Å; P329-Y373 HydrophobicContact CG-CD2 3.77Å; P329-Y373 HydrophobicContact CG-CE2 3.45Å; P329-Y373 VanDerWaalsContact CG-CE2 3.45Å |
| 330 | L | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -46.4 | -41.7 | 174.2 | 176 | 66 | 0 | 0 | 0 | 111.9 | W328 Y332 C333 Y334 F400 W402 L406 | W328-L330 HydrophobicContact CB-CB 4.5Å; W328-L330 PolarHBondContact O-N 3.22Å; W328-L330 VanDerWaalsContact O-N 3.15Å; L330-Y332 VanDerWaalsContact C-N 3.34Å; L330-Y332 PolarHBondContact O-N 3.1Å; L330-C333 WeakPolarHBondContact O-CA 3.34Å; L330-C333 WeakPolarHBondContact O-CB 3.44Å; L330-C333 PolarHBondContact O-N 3.47Å; L330-Y334 HydrophobicContact CD1-CD2 4.31Å; L330-Y334 HydrophobicContact CD1-CE2 3.89Å; L330-Y334 HydrophobicContact CD2-CE2 4.03Å; L330-Y334 HydrophobicContact CG-CD2 4Å; L330-Y334 HydrophobicContact CG-CE2 3.75Å; L330-Y334 PolarHBondContact O-N 3.47Å; L330-Y334 VanDerWaalsContact O-N 3.1Å; L330-F400 HydrophobicContact CB-CE1 4.44Å; L330-F400 HydrophobicContact CD1-CE1 4.27Å; L330-F400 HydrophobicContact CD2-CE1 4.15Å; L330-W402 HydrophobicContact CD1-CD2 4.26Å; L330-W402 HydrophobicContact CD1-CG 4.03Å; L330-W402 HydrophobicContact CD2-CD2 4.22Å; L330-W402 HydrophobicContact CD2-CE3 4.46Å; L330-W402 HydrophobicContact CD2-CH2 4.4Å; L330-W402 HydrophobicContact CD2-CZ2 4.23Å; L330-L406 HydrophobicContact CD1-CD1 3.97Å |
| 331 | F | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 0% | 0.004 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -72.8 | -25.3 | -175.9 | -58.4 | -63.4 | 0 | 0 | 0 | 113.3 | W184 S257 L260 C293 R295 W328 P329 C333 Y334 L335 | W184-F331 HydrophobicContact CH2-CE1 4.48Å; W184-F331 AromaticContact CH2-CZ 3.87Å; W184-F331 HydrophobicContact CH2-CZ 3.87Å; W184-F331 HydrophobicContact CZ2-CE1 4.39Å; W184-F331 AromaticContact CZ2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CZ 3.77Å; S257-F331 VanDerWaalsContact C-CE1 3.42Å; S257-F331 WeakPolarHBondContact O-CE1 3.4Å; L260-F331 HydrophobicContact CD1-CB 4.13Å; L260-F331 HydrophobicContact CD1-CD1 4.06Å; L260-F331 HydrophobicContact CD1-CG 4.49Å; C293-F331 HydrophobicContact CB-CB 3.76Å; C293-F331 HydrophobicContact CB-CD2 3.54Å; C293-F331 HydrophobicContact CB-CE2 4.36Å; C293-F331 HydrophobicContact CB-CG 3.85Å; C293-F331 VanDerWaalsContact O-CD2 3.28Å; C293-F331 WeakPolarHBondContact O-CD2 3.23Å; C293-F331 WeakPolarHBondContact O-CE2 3.44Å; R295-F331 HydrophobicContact CG-CE2 4.35Å; R295-F331 HydrophobicContact CG-CZ 4.43Å; W328-F331 HydrophobicContact CB-CD2 3.71Å; W328-F331 HydrophobicContact CB-CE2 3.63Å; W328-F331 HydrophobicContact CG-CE2 4.22Å; W328-F331 WeakPolarHBondContact O-CD2 3.18Å; W328-F331 PolarHBondContact O-N 2.93Å; P329-F331 PolarHBondContact O-N 3.44Å; P329-F331 VanDerWaalsContact O-N 3.14Å; F331-C333 VanDerWaalsContact C-N 3.31Å; F331-Y334 HydrophobicContact CD1-CD2 4.11Å; F331-Y334 PolarHBondContact O-N 3.07Å; F331-L335 VanDerWaalsContact O-CG 3.28Å; F331-L335 WeakPolarHBondContact O-CG 3.25Å; F331-L335 PolarHBondContact O-N 3.38Å |
| 332 | Y | 97.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.008 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.2 | -35.1 | 166.4 | -70.6 | -19.2 | 0 | 0 | 0 | 111.7 | G289 K290 P329 L330 L335 I336 Y351 R354 L355 I358 | G289-Y332 PolarHBondContact O-OH 3.07Å; G289-Y332 VanDerWaalsContact O-OH 3.12Å; K290-Y332 PolarHBondContact O-OH 3.35Å; K290-Y332 VanDerWaalsContact O-OH 3.07Å; P329-Y332 WeakPolarHBondContact O-CB 3.47Å; P329-Y332 PolarHBondContact O-N 3.22Å; L330-Y332 VanDerWaalsContact C-N 3.34Å; L330-Y332 PolarHBondContact O-N 3.1Å; Y332-L335 HydrophobicContact CD1-CD1 4.21Å; Y332-L335 PolarHBondContact O-N 3.03Å; Y332-I336 WeakPolarHBondContact O-CD1 3.23Å; Y332-I336 VanDerWaalsContact O-CG1 3.23Å; Y332-I336 WeakPolarHBondContact O-CG1 3.48Å; Y332-I336 PolarHBondContact O-N 2.89Å; Y332-Y351 AromaticContact CD1-CD1 3.73Å; Y332-Y351 HydrophobicContact CD1-CD1 3.73Å; Y332-Y351 HydrophobicContact CD1-CE1 4.07Å; Y332-Y351 HydrophobicContact CE1-CD1 4.02Å; Y332-Y351 HydrophobicContact CE1-CE1 4.05Å; Y332-Y351 HydrophobicContact CG-CD1 4.4Å; Y332-R354 HydrophobicContact CD2-CB 4.45Å; Y332-R354 HydrophobicContact CE2-CB 4.09Å; Y332-L355 HydrophobicContact CD2-CB 4.39Å; Y332-I358 HydrophobicContact CD2-CD1 3.98Å; Y332-I358 HydrophobicContact CE2-CD1 4Å |
| 333 | C | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 173.5 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | P329 L330 F331 I336 L337 L355 L406 | P329-C333 PolarHBondContact O-N 3.4Å; L330-C333 WeakPolarHBondContact O-CA 3.34Å; L330-C333 WeakPolarHBondContact O-CB 3.44Å; L330-C333 PolarHBondContact O-N 3.47Å; F331-C333 VanDerWaalsContact C-N 3.31Å; C333-I336 PolarHBondContact O-N 2.9Å; C333-L337 WeakPolarHBondContact O-CG 3.18Å; C333-L337 PolarHBondContact O-N 3.38Å; C333-L337 VanDerWaalsContact O-N 3.11Å; C333-L355 VanDerWaalsContact SG-CD2 3.59Å; C333-L406 HydrophobicContact CB-CB 3.81Å |
| 334 | Y | 97.5 | Very high | 95.9 | Very high | 8 Ų | 8 | 17.7 Ų | 17.7 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 173 | -81.7 | -67.1 | 0 | 0 | 0 | 112.7 | Y49 L260 C261 F265 L330 F331 L337 F338 W402 L406 | Y49-Y334 WeakPolarHBondContact CE1-OH 3.25Å; Y49-Y334 VanDerWaalsContact CZ-OH 3.24Å; Y49-Y334 PolarHBondContact OH-OH 2.86Å; L260-Y334 HydrophobicContact CB-CG 4.36Å; C261-Y334 HydrophobicContact CB-CE1 3.79Å; F265-Y334 WeakPolarHBondContact O-CE1 3.37Å; L330-Y334 HydrophobicContact CD1-CD2 4.31Å; L330-Y334 HydrophobicContact CD1-CE2 3.89Å; L330-Y334 HydrophobicContact CD2-CE2 4.03Å; L330-Y334 HydrophobicContact CG-CD2 4Å; L330-Y334 HydrophobicContact CG-CE2 3.75Å; L330-Y334 PolarHBondContact O-N 3.47Å; L330-Y334 VanDerWaalsContact O-N 3.1Å; F331-Y334 HydrophobicContact CD1-CD2 4.11Å; F331-Y334 PolarHBondContact O-N 3.07Å; Y334-L337 PolarHBondContact O-N 3.46Å; Y334-F338 VanDerWaalsContact O-CB 3.25Å; Y334-F338 WeakPolarHBondContact O-CB 3.42Å; Y334-F338 PolarHBondContact O-N 3.07Å; Y334-W402 HydrophobicContact CE2-CZ2 4.36Å; Y334-W402 AromaticContact CZ-NE1 3.9Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.35Å; Y334-W402 PolarHBondContact OH-NE1 2.93Å; Y334-L406 HydrophobicContact CD1-CD1 4.19Å; Y334-L406 HydrophobicContact CD2-CD1 4.26Å; Y334-L406 HydrophobicContact CE1-CD1 3.76Å; Y334-L406 HydrophobicContact CE2-CD1 3.85Å; Y334-L406 HydrophobicContact CG-CD1 4.41Å |
| 335 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 179.1 | -70.1 | 166.7 | 0 | 0 | 0 | 112.5 | L260 L284 F331 Y332 F338 H339 Y351 | L260-L335 HydrophobicContact CD1-CD2 4.35Å; L260-L335 HydrophobicContact CD1-CG 4.28Å; L260-L335 HydrophobicContact CD2-CD2 4.17Å; L284-L335 HydrophobicContact CD2-CD1 3.63Å; L284-L335 HydrophobicContact CD2-CD2 3.98Å; L284-L335 HydrophobicContact CD2-CG 4.46Å; F331-L335 VanDerWaalsContact O-CG 3.28Å; F331-L335 WeakPolarHBondContact O-CG 3.25Å; F331-L335 PolarHBondContact O-N 3.38Å; Y332-L335 HydrophobicContact CD1-CD1 4.21Å; Y332-L335 PolarHBondContact O-N 3.03Å; L335-F338 PolarHBondContact O-N 3.3Å; L335-H339 WeakPolarHBondContact O-CB 3.37Å; L335-H339 PolarHBondContact O-CD2 2.97Å; L335-H339 PolarHBondContact O-N 3.11Å; L335-Y351 HydrophobicContact CB-CD1 4.27Å; L335-Y351 HydrophobicContact CB-CD2 4.13Å; L335-Y351 HydrophobicContact CB-CE1 4.4Å; L335-Y351 HydrophobicContact CB-CE2 4.26Å; L335-Y351 HydrophobicContact CB-CG 4.14Å; L335-Y351 HydrophobicContact CD1-CD1 4.07Å; L335-Y351 HydrophobicContact CD1-CE1 3.58Å; L335-Y351 HydrophobicContact CD1-CE2 4.47Å |
| 336 | I | 96.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 172.3 | -71.1 | 163.1 | 0 | 0 | 0 | 110 | Y332 C333 A340 V348 A352 L355 | Y332-I336 WeakPolarHBondContact O-CD1 3.23Å; Y332-I336 VanDerWaalsContact O-CG1 3.23Å; Y332-I336 WeakPolarHBondContact O-CG1 3.48Å; Y332-I336 PolarHBondContact O-N 2.89Å; C333-I336 PolarHBondContact O-N 2.9Å; I336-A340 VanDerWaalsContact O-CB 3.29Å; I336-A340 WeakPolarHBondContact O-CB 3.49Å; I336-A340 PolarHBondContact O-N 3.09Å; I336-V348 HydrophobicContact CG2-CG1 4.32Å; I336-A352 HydrophobicContact CD1-CB 4.22Å; I336-L355 HydrophobicContact CD1-CB 4.49Å; I336-L355 HydrophobicContact CD1-CD2 3.83Å |
| 337 | L | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 177.5 | -67.9 | 173.9 | 0 | 0 | 0 | 111.1 | F265 C333 Y334 H339 A340 F341 L406 L409 L413 | F265-L337 HydrophobicContact CD1-CD1 3.84Å; F265-L337 HydrophobicContact CE1-CD1 4.3Å; C333-L337 WeakPolarHBondContact O-CG 3.18Å; C333-L337 PolarHBondContact O-N 3.38Å; C333-L337 VanDerWaalsContact O-N 3.11Å; Y334-L337 PolarHBondContact O-N 3.46Å; L337-H339 VanDerWaalsContact C-N 3.34Å; L337-H339 PolarHBondContact O-N 2.79Å; L337-A340 WeakPolarHBondContact O-CB 3.5Å; L337-A340 PolarHBondContact O-N 3.34Å; L337-A340 VanDerWaalsContact O-N 3.08Å; L337-F341 VanDerWaalsContact O-CD2 3.24Å; L337-F341 WeakPolarHBondContact O-CD2 3.4Å; L337-F341 PolarHBondContact O-N 3.07Å; L337-L406 HydrophobicContact CD1-CB 4.11Å; L337-L406 HydrophobicContact CD1-CD2 3.88Å; L337-L406 HydrophobicContact CD1-CG 4.41Å; L337-L409 HydrophobicContact CD2-CB 4.33Å; L337-L413 HydrophobicContact CD2-CD1 3.67Å |
| 338 | F | 95.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 6% | 0.057 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.9 | -50 | 178.9 | -174.3 | -86.4 | 0 | 0 | 0 | 111.7 | I263 I276 K280 Y334 L335 F341 Q342 | I263-F338 HydrophobicContact CD1-CE2 4.11Å; I263-F338 HydrophobicContact CG1-CE2 4Å; I276-F338 HydrophobicContact CG2-CE2 4.14Å; I276-F338 HydrophobicContact CG2-CZ 3.86Å; K280-F338 HydrophobicContact CD-CD1 4.35Å; K280-F338 HydrophobicContact CD-CE1 3.7Å; K280-F338 HydrophobicContact CD-CZ 4.08Å; Y334-F338 VanDerWaalsContact O-CB 3.25Å; Y334-F338 WeakPolarHBondContact O-CB 3.42Å; Y334-F338 PolarHBondContact O-N 3.07Å; L335-F338 PolarHBondContact O-N 3.3Å; F338-F341 PolarHBondContact O-N 3.25Å; F338-Q342 VanDerWaalsContact CE1-CD 3.48Å; F338-Q342 WeakPolarHBondContact O-CG 3.29Å; F338-Q342 PolarHBondContact O-N 3.11Å |
| 339 | H | 95.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 6% | 0.06 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.8 | -31.3 | 177.9 | -71.6 | -62.2 | 0 | 0 | 0 | 113.1 | L335 L337 Q342 S343 D344 A347 V348 Y351 | L335-H339 WeakPolarHBondContact O-CB 3.37Å; L335-H339 PolarHBondContact O-CD2 2.97Å; L335-H339 PolarHBondContact O-N 3.11Å; L337-H339 VanDerWaalsContact C-N 3.34Å; L337-H339 PolarHBondContact O-N 2.79Å; H339-Q342 CarbonylContact O-C 3.58Å; H339-Q342 PolarHBondContact O-N 3.5Å; H339-S343 PolarHBondContact O-N 3.33Å; H339-S343 VanDerWaalsContact O-N 3.13Å; H339-D344 HydrophobicContact CB-CB 4.35Å; H339-D344 PolarHBondContact O-N 3.17Å; H339-A347 HydrophobicContact CB-CB 3.95Å; H339-A347 VanDerWaalsContact CG-CB 3.47Å; H339-V348 HydrophobicContact CB-CG2 3.75Å; H339-Y351 AromaticContact CD2-CD2 3.79Å; H339-Y351 AromaticContact CD2-CE2 3.74Å; H339-Y351 AromaticContact NE2-CE2 3.57Å |
| 340 | A | 94.7 | Very high | 95.5 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I336 L337 Q342 S343 V348 L413 | I336-A340 VanDerWaalsContact O-CB 3.29Å; I336-A340 WeakPolarHBondContact O-CB 3.49Å; I336-A340 PolarHBondContact O-N 3.09Å; L337-A340 WeakPolarHBondContact O-CB 3.5Å; L337-A340 PolarHBondContact O-N 3.34Å; L337-A340 VanDerWaalsContact O-N 3.08Å; A340-Q342 VanDerWaalsContact C-N 3.27Å; A340-Q342 PolarHBondContact O-N 3.18Å; A340-S343 PolarHBondContact O-N 2.78Å; A340-S343 VanDerWaalsContact O-N 3.07Å; A340-V348 HydrophobicContact CB-CG2 4.05Å; A340-L413 HydrophobicContact CB-CD1 4.19Å |
| 341 | F | 93.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 46 Ų | 46 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.6 | -27.5 | 174.4 | -83.3 | -82.8 | 0 | 0 | 0 | 113.2 | F265 F268 L337 F338 S343 V420 L423 D424 R429 | F265-F341 HydrophobicContact CB-CD2 4.06Å; F265-F341 HydrophobicContact CB-CE2 3.71Å; F265-F341 HydrophobicContact CB-CZ 4.44Å; F265-F341 AromaticContact CD2-CE2 3.54Å; F265-F341 HydrophobicContact CD2-CE2 3.54Å; F265-F341 AromaticContact CD2-CZ 3.55Å; F265-F341 HydrophobicContact CD2-CZ 3.55Å; F265-F341 HydrophobicContact CE2-CE2 4.42Å; F265-F341 HydrophobicContact CE2-CZ 4.2Å; F265-F341 AromaticContact CG-CE2 3.8Å; F265-F341 HydrophobicContact CG-CE2 3.8Å; F265-F341 HydrophobicContact CG-CZ 4.28Å; F268-F341 HydrophobicContact CE1-CB 4.39Å; F268-F341 HydrophobicContact CE1-CD1 4.25Å; F268-F341 HydrophobicContact CE1-CG 4.15Å; F268-F341 HydrophobicContact CE2-CE1 4.23Å; F268-F341 HydrophobicContact CE2-CZ 4.4Å; F268-F341 HydrophobicContact CZ-CB 4.47Å; F268-F341 AromaticContact CZ-CD1 3.63Å; F268-F341 HydrophobicContact CZ-CD1 3.63Å; F268-F341 AromaticContact CZ-CD2 3.93Å; F268-F341 HydrophobicContact CZ-CD2 3.93Å; F268-F341 AromaticContact CZ-CE1 3.73Å; F268-F341 HydrophobicContact CZ-CE1 3.73Å; F268-F341 HydrophobicContact CZ-CE2 4.06Å; F268-F341 AromaticContact CZ-CG 3.75Å; F268-F341 HydrophobicContact CZ-CG 3.75Å; F268-F341 AromaticContact CZ-CZ 3.96Å; F268-F341 HydrophobicContact CZ-CZ 3.96Å; L337-F341 VanDerWaalsContact O-CD2 3.24Å; L337-F341 WeakPolarHBondContact O-CD2 3.4Å; L337-F341 PolarHBondContact O-N 3.07Å; F338-F341 PolarHBondContact O-N 3.25Å; F341-S343 VanDerWaalsContact C-N 3.3Å; F341-V420 HydrophobicContact CD1-CB 3.71Å; F341-V420 HydrophobicContact CD1-CG1 4.03Å; F341-V420 HydrophobicContact CE1-CB 3.71Å; F341-V420 HydrophobicContact CE1-CG1 4.28Å; F341-V420 WeakPolarHBondContact CE1-O 3.26Å; F341-V420 HydrophobicContact CG-CB 4.45Å; F341-V420 HydrophobicContact CG-CG1 4.29Å; F341-V420 HydrophobicContact CZ-CB 4.44Å; F341-L423 HydrophobicContact CZ-CB 4.21Å; F341-D424 HydrophobicContact CE1-CB 4.23Å; F341-R429 HydrophobicContact CD1-CB 4.36Å |
| 342 | Q | 90.9 | Very high | 95.4 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 48% | 0.477 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.1 | 173.3 | -67 | -176.3 | -18.5 | 0 | 0 | 113.9 | F338 H339 A340 D344 | F338-Q342 VanDerWaalsContact CE1-CD 3.48Å; F338-Q342 WeakPolarHBondContact O-CG 3.29Å; F338-Q342 PolarHBondContact O-N 3.11Å; H339-Q342 CarbonylContact O-C 3.58Å; H339-Q342 PolarHBondContact O-N 3.5Å; A340-Q342 VanDerWaalsContact C-N 3.27Å; A340-Q342 PolarHBondContact O-N 3.18Å; Q342-D344 PolarHBondContact O-N 3.19Å |
| 343 | S | 90.9 | Very high | 95.4 | Very high | 98 Ų | 98 | 48.1 Ų | 48.1 | 69% | 0.685 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 24.3 | -173.1 | -54.5 | 0 | 0 | 0 | 0 | 114.4 | H339 A340 F341 K345 | H339-S343 PolarHBondContact O-N 3.33Å; H339-S343 VanDerWaalsContact O-N 3.13Å; A340-S343 PolarHBondContact O-N 2.78Å; A340-S343 VanDerWaalsContact O-N 3.07Å; F341-S343 VanDerWaalsContact C-N 3.3Å; S343-K345 PolarHBondContact O-N 2.59Å |
| 344 | D | 94.2 | Very high | 95.3 | Very high | 66 Ų | 66 | 52 Ų | 52 | 35% | 0.353 | 25% | 0.25 | S | C | . | . | trans | -87.5 | 86.8 | 175.1 | -173.9 | -10.3 | 0 | 0 | 0 | 110.9 | H339 Q342 R346 A347 V348 | H339-D344 HydrophobicContact CB-CB 4.35Å; H339-D344 PolarHBondContact O-N 3.17Å; Q342-D344 PolarHBondContact O-N 3.19Å; D344-R346 PolarHBondContact O-N 3.03Å; D344-R346 PolarHBondContact OD1-N 2.92Å; D344-R346 VanDerWaalsContact OD1-N 3.12Å; D344-A347 HydrophobicContact CB-CB 4.33Å; D344-A347 PolarHBondContact O-N 3.05Å; D344-A347 PolarHBondContact OD1-N 3.29Å; D344-A347 VanDerWaalsContact OD1-N 3.11Å; D344-A347 WeakPolarHBondContact OD2-CB 3.28Å; D344-V348 VanDerWaalsContact O-CG2 3.28Å; D344-V348 WeakPolarHBondContact O-CG2 3.35Å; D344-V348 PolarHBondContact O-N 3Å | ||
| 345 | K | 93.1 | Very high | 95.3 | Very high | 181 Ų | 181 | 51.6 Ų | 51.6 | 79% | 0.787 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.2 | -27.9 | -179 | -63.1 | -173.6 | 179.8 | -176.1 | 0 | 113.5 | S343 E349 | S343-K345 PolarHBondContact O-N 2.59Å; K345-E349 PolarHBondContact O-N 3.02Å; K345-E349 VanDerWaalsContact O-N 3.17Å |
| 346 | R | 96.3 | Very high | 95.1 | Very high | 207 Ų | 207 | 54.6 Ų | 54.6 | 78% | 0.781 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -72.7 | -47.4 | -177.4 | -179.8 | -178.2 | 171.8 | 178.4 | -2 | 110.3 | D344 V348 E349 E350 | D344-R346 PolarHBondContact O-N 3.03Å; D344-R346 PolarHBondContact OD1-N 2.92Å; D344-R346 VanDerWaalsContact OD1-N 3.12Å; R346-V348 VanDerWaalsContact C-N 3.34Å; R346-E349 PolarHBondContact O-N 3.4Å; R346-E350 PolarHBondContact O-N 2.92Å |
| 347 | A | 95.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 62 Ų | 62 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H339 D344 E349 E350 Y351 | H339-A347 HydrophobicContact CB-CB 3.95Å; H339-A347 VanDerWaalsContact CG-CB 3.47Å; D344-A347 HydrophobicContact CB-CB 4.33Å; D344-A347 PolarHBondContact O-N 3.05Å; D344-A347 PolarHBondContact OD1-N 3.29Å; D344-A347 VanDerWaalsContact OD1-N 3.11Å; D344-A347 WeakPolarHBondContact OD2-CB 3.28Å; A347-E349 PolarHBondContact O-N 3.29Å; A347-E350 PolarHBondContact O-N 3.35Å; A347-Y351 VanDerWaalsContact O-CD2 3.3Å; A347-Y351 WeakPolarHBondContact O-CD2 3.27Å; A347-Y351 PolarHBondContact O-N 3.43Å |
| 348 | V | 95.8 | Very high | 95 | Very high | 10 Ų | 10 | 63.2 Ų | 63.2 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.7 | -50.3 | 173.1 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | I336 H339 A340 D344 R346 E350 A352 Q414 | I336-V348 HydrophobicContact CG2-CG1 4.32Å; H339-V348 HydrophobicContact CB-CG2 3.75Å; A340-V348 HydrophobicContact CB-CG2 4.05Å; D344-V348 VanDerWaalsContact O-CG2 3.28Å; D344-V348 WeakPolarHBondContact O-CG2 3.35Å; D344-V348 PolarHBondContact O-N 3Å; R346-V348 VanDerWaalsContact C-N 3.34Å; V348-E350 VanDerWaalsContact C-N 3.34Å; V348-E350 PolarHBondContact O-N 2.89Å; V348-A352 WeakPolarHBondContact O-CB 3.27Å; V348-A352 PolarHBondContact O-N 2.9Å; V348-Q414 HydrophobicContact CG1-CB 4.39Å; V348-Q414 HydrophobicContact CG1-CG 4.07Å |
| 349 | E | 95.9 | Very high | 95 | Very high | 106 Ų | 106 | 63.2 Ų | 63.2 | 50% | 0.495 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 179.7 | -171.1 | 61.8 | -145.8 | 0 | 0 | 112 | K345 R346 A347 A352 S353 Q414 | K345-E349 PolarHBondContact O-N 3.02Å; K345-E349 VanDerWaalsContact O-N 3.17Å; R346-E349 PolarHBondContact O-N 3.4Å; A347-E349 PolarHBondContact O-N 3.29Å; E349-A352 PolarHBondContact O-N 3.49Å; E349-S353 WeakPolarHBondContact O-CB 3.49Å; E349-S353 PolarHBondContact O-N 3.1Å; E349-Q414 PolarHBondContact OE2-NE2 3.13Å |
| 350 | E | 96.1 | Very high | 95 | Very high | 82 Ų | 82 | 65 Ų | 65 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -52.4 | 178.2 | -178.1 | 175.5 | 173.2 | 0 | 0 | 112 | R346 A347 V348 S353 R354 | R346-E350 PolarHBondContact O-N 2.92Å; A347-E350 PolarHBondContact O-N 3.35Å; V348-E350 VanDerWaalsContact C-N 3.34Å; V348-E350 PolarHBondContact O-N 2.89Å; E350-S353 PolarHBondContact O-N 3.09Å; E350-R354 WeakPolarHBondContact O-CG 3.31Å; E350-R354 PolarHBondContact O-N 3.29Å; E350-R354 IonicContact OE1-CZ 2.79Å; E350-R354 IonicContact OE1-NE 2.82Å; E350-R354 IonicContact OE1-NH2 3.4Å; E350-R354 PolarHBondContact OE1-NH2 3.37Å |
| 351 | Y | 96.8 | Very high | 94.9 | Very high | 20 Ų | 20 | 72.8 Ų | 72.8 | 8% | 0.078 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.7 | -34.5 | 179.3 | -75.8 | -70.8 | 0 | 0 | 0 | 112.3 | Y332 L335 H339 A347 R354 L355 | Y332-Y351 AromaticContact CD1-CD1 3.73Å; Y332-Y351 HydrophobicContact CD1-CD1 3.73Å; Y332-Y351 HydrophobicContact CD1-CE1 4.07Å; Y332-Y351 HydrophobicContact CE1-CD1 4.02Å; Y332-Y351 HydrophobicContact CE1-CE1 4.05Å; Y332-Y351 HydrophobicContact CG-CD1 4.4Å; L335-Y351 HydrophobicContact CB-CD1 4.27Å; L335-Y351 HydrophobicContact CB-CD2 4.13Å; L335-Y351 HydrophobicContact CB-CE1 4.4Å; L335-Y351 HydrophobicContact CB-CE2 4.26Å; L335-Y351 HydrophobicContact CB-CG 4.14Å; L335-Y351 HydrophobicContact CD1-CD1 4.07Å; L335-Y351 HydrophobicContact CD1-CE1 3.58Å; L335-Y351 HydrophobicContact CD1-CE2 4.47Å; H339-Y351 AromaticContact CD2-CD2 3.79Å; H339-Y351 AromaticContact CD2-CE2 3.74Å; H339-Y351 AromaticContact NE2-CE2 3.57Å; A347-Y351 VanDerWaalsContact O-CD2 3.3Å; A347-Y351 WeakPolarHBondContact O-CD2 3.27Å; A347-Y351 PolarHBondContact O-N 3.43Å; Y351-R354 PolarHBondContact O-N 3.3Å; Y351-L355 WeakPolarHBondContact O-CB 3.29Å; Y351-L355 PolarHBondContact O-N 3.44Å |
| 352 | A | 95.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 73.5 Ų | 73.5 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I336 V348 E349 R354 L355 E356 | I336-A352 HydrophobicContact CD1-CB 4.22Å; V348-A352 WeakPolarHBondContact O-CB 3.27Å; V348-A352 PolarHBondContact O-N 2.9Å; E349-A352 PolarHBondContact O-N 3.49Å; A352-R354 VanDerWaalsContact C-N 3.34Å; A352-R354 PolarHBondContact O-N 2.91Å; A352-L355 PolarHBondContact O-N 3.25Å; A352-E356 WeakPolarHBondContact O-CB 3.49Å; A352-E356 WeakPolarHBondContact O-CG 3.33Å; A352-E356 PolarHBondContact O-N 3.28Å |
| 353 | S | 96.4 | Very high | 94.3 | Very high | 44 Ų | 44 | 78.3 Ų | 78.3 | 31% | 0.308 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | E349 E350 K357 | E349-S353 WeakPolarHBondContact O-CB 3.49Å; E349-S353 PolarHBondContact O-N 3.1Å; E350-S353 PolarHBondContact O-N 3.09Å; S353-K357 WeakPolarHBondContact O-CD 3.29Å; S353-K357 VanDerWaalsContact O-CG 3.27Å; S353-K357 WeakPolarHBondContact O-CG 3.5Å; S353-K357 PolarHBondContact O-N 3.18Å |
| 354 | R | 96.5 | Very high | 93.9 | Very high | 82 Ų | 82 | 78 Ų | 78 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 175.3 | -71.4 | 177 | -176.6 | -153.6 | 6.8 | 111.7 | Y332 E350 Y351 A352 K357 | Y332-R354 HydrophobicContact CD2-CB 4.45Å; Y332-R354 HydrophobicContact CE2-CB 4.09Å; E350-R354 WeakPolarHBondContact O-CG 3.31Å; E350-R354 PolarHBondContact O-N 3.29Å; E350-R354 IonicContact OE1-CZ 2.79Å; E350-R354 IonicContact OE1-NE 2.82Å; E350-R354 IonicContact OE1-NH2 3.4Å; E350-R354 PolarHBondContact OE1-NH2 3.37Å; Y351-R354 PolarHBondContact O-N 3.3Å; A352-R354 VanDerWaalsContact C-N 3.34Å; A352-R354 PolarHBondContact O-N 2.91Å; R354-K357 PolarHBondContact O-N 3.4Å |
| 355 | L | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 178.4 | -179.6 | 60.7 | 0 | 0 | 0 | 111.6 | P329 Y332 C333 I336 Y351 A352 K357 I358 M359 F407 | P329-L355 HydrophobicContact CB-CD1 3.84Å; Y332-L355 HydrophobicContact CD2-CB 4.39Å; C333-L355 VanDerWaalsContact SG-CD2 3.59Å; I336-L355 HydrophobicContact CD1-CB 4.49Å; I336-L355 HydrophobicContact CD1-CD2 3.83Å; Y351-L355 WeakPolarHBondContact O-CB 3.29Å; Y351-L355 PolarHBondContact O-N 3.44Å; A352-L355 PolarHBondContact O-N 3.25Å; L355-K357 PolarHBondContact O-N 3.4Å; L355-I358 HydrophobicContact CD1-CD1 4.27Å; L355-I358 HydrophobicContact CD1-CG1 4.31Å; L355-I358 WeakPolarHBondContact O-CG1 3.34Å; L355-I358 PolarHBondContact O-N 2.89Å; L355-M359 HydrophobicContact CD1-CG 4.22Å; L355-M359 HydrophobicContact CG-CG 4.18Å; L355-M359 HydrophobicContact CG-SD 4.07Å; L355-M359 VanDerWaalsContact O-CG 3.3Å; L355-M359 WeakPolarHBondContact O-CG 3.29Å; L355-M359 PolarHBondContact O-N 3.22Å; L355-F407 HydrophobicContact CD2-CD2 3.64Å; L355-F407 HydrophobicContact CD2-CE2 4.26Å; L355-F407 HydrophobicContact CD2-CG 4.48Å |
| 356 | E | 95.1 | Very high | 93.3 | Very high | 64 Ų | 64 | 69.2 Ų | 69.2 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.6 | -31.9 | 179.3 | -76.4 | -177.8 | -165.4 | 0 | 0 | 113.4 | A352 I358 L367 R411 | A352-E356 WeakPolarHBondContact O-CB 3.49Å; A352-E356 WeakPolarHBondContact O-CG 3.33Å; A352-E356 PolarHBondContact O-N 3.28Å; E356-I358 VanDerWaalsContact C-N 3.29Å; E356-I358 PolarHBondContact O-N 3.06Å; E356-L367 HydrophobicContact CG-CD1 4.49Å; E356-R411 IonicContact OE1-CZ 3.28Å; E356-R411 IonicContact OE1-NH1 3.87Å; E356-R411 PolarHBondContact OE1-NH1 3.1Å; E356-R411 IonicContact OE1-NH2 3.17Å; E356-R411 PolarHBondContact OE1-NH2 3.35Å |
| 357 | K | 94.9 | Very high | 93.1 | Very high | 162 Ų | 162 | 60.5 Ų | 60.5 | 70% | 0.704 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.5 | -27.4 | 177.4 | -75.7 | 169.4 | -172 | 171.5 | 0 | 113.5 | S353 R354 L355 | S353-K357 WeakPolarHBondContact O-CD 3.29Å; S353-K357 VanDerWaalsContact O-CG 3.27Å; S353-K357 WeakPolarHBondContact O-CG 3.5Å; S353-K357 PolarHBondContact O-N 3.18Å; R354-K357 PolarHBondContact O-N 3.4Å; L355-K357 PolarHBondContact O-N 3.4Å |
| 358 | I | 95.9 | Very high | 93.1 | Very high | 24 Ų | 24 | 61 Ų | 61 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -96.9 | -30.8 | -178 | 61.4 | 173.9 | 0 | 0 | 0 | 111.6 | Y291 P329 Y332 L355 E356 Y373 | Y291-I358 HydrophobicContact CD1-CB 4.17Å; Y291-I358 HydrophobicContact CD1-CG2 3.66Å; Y291-I358 HydrophobicContact CE1-CG2 4.2Å; Y291-I358 HydrophobicContact CG-CG2 4.44Å; Y291-I358 WeakPolarHBondContact O-CD1 3.25Å; P329-I358 HydrophobicContact CB-CD1 3.94Å; P329-I358 HydrophobicContact CG-CD1 3.96Å; Y332-I358 HydrophobicContact CD2-CD1 3.98Å; Y332-I358 HydrophobicContact CE2-CD1 4Å; L355-I358 HydrophobicContact CD1-CD1 4.27Å; L355-I358 HydrophobicContact CD1-CG1 4.31Å; L355-I358 WeakPolarHBondContact O-CG1 3.34Å; L355-I358 PolarHBondContact O-N 2.89Å; E356-I358 VanDerWaalsContact C-N 3.29Å; E356-I358 PolarHBondContact O-N 3.06Å; I358-Y373 HydrophobicContact CB-CE2 4.41Å; I358-Y373 HydrophobicContact CD1-CE2 4.38Å; I358-Y373 PolarHBondContact O-OH 3.25Å |
| 359 | M | 95.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -50 | 144.5 | 179.7 | -74.1 | 172.7 | 88.7 | 0 | 0 | 114.2 | L355 L367 V369 F407 | L355-M359 HydrophobicContact CD1-CG 4.22Å; L355-M359 HydrophobicContact CG-CG 4.18Å; L355-M359 HydrophobicContact CG-SD 4.07Å; L355-M359 VanDerWaalsContact O-CG 3.3Å; L355-M359 WeakPolarHBondContact O-CG 3.29Å; L355-M359 PolarHBondContact O-N 3.22Å; M359-L367 HydrophobicContact CB-CB 4.43Å; M359-L367 HydrophobicContact CB-CD2 4.48Å; M359-L367 HydrophobicContact CE-CB 3.4Å; M359-L367 HydrophobicContact SD-CB 4.08Å; M359-L367 HydrophobicContact SD-CD1 4.38Å; M359-V369 HydrophobicContact CE-CG2 3.58Å; M359-V369 HydrophobicContact CG-CG2 4.36Å; M359-V369 HydrophobicContact SD-CG2 4.4Å; M359-F407 HydrophobicContact CE-CD1 3.78Å; M359-F407 HydrophobicContact CE-CD2 4.34Å; M359-F407 HydrophobicContact CE-CE1 3.53Å; M359-F407 HydrophobicContact CE-CE2 4.11Å; M359-F407 HydrophobicContact CE-CG 4.17Å; M359-F407 HydrophobicContact CE-CZ 3.7Å; M359-F407 HydrophobicContact SD-CD2 4.34Å; M359-F407 HydrophobicContact SD-CE1 4.36Å; M359-F407 HydrophobicContact SD-CE2 3.91Å; M359-F407 HydrophobicContact SD-CZ 3.91Å |
| 360 | V | 94.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.5 | 180 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | L368 P370 V394 | V360-L368 HydrophobicContact CB-CB 4.47Å; V360-L368 PolarHBondContact N-O 3.26Å; V360-L368 PolarHBondContact O-N 2.7Å; V360-P370 HydrophobicContact CG2-CG 4.39Å; V360-V394 HydrophobicContact CG2-CG2 3.79Å |
| 361 | R | 93.3 | Very high | 93.1 | Very high | 180 Ų | 180 | 51.6 Ų | 51.6 | 68% | 0.679 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.9 | 173.9 | -68.8 | -178.4 | -177.5 | -93.2 | -1.7 | 110 | L367 | R361-L367 HydrophobicContact CG-CD2 3.73Å |
| 362 | S | 89.2 | Confident | 93 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 162.2 | 168.1 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | D364 G365 I366 | S362-D364 PolarHBondContact O-N 3.46Å; S362-G365 WeakPolarHBondContact O-CA 3.26Å; S362-G365 PolarHBondContact O-N 3.02Å; S362-I366 WeakPolarHBondContact CB-O 3.44Å; S362-I366 PolarHBondContact N-O 3.12Å |
| 363 | E | 83.1 | Confident | 93.1 | Very high | 204 Ų | 204 | 51 Ų | 51 | 95% | 0.953 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33.7 | 173.1 | -63.3 | -177 | 177.4 | 0 | 0 | 112.5 | G365 | E363-G365 PolarHBondContact O-N 3.26Š|
| 364 | D | 81.1 | Confident | 93.1 | Very high | 92 Ų | 92 | 49 Ų | 49 | 49% | 0.492 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 4.9 | 175.9 | -59.5 | -96.6 | 0 | 0 | 0 | 114 | R20 S362 I366 | R20-D364 IonicContact CZ-OD1 2.76Å; R20-D364 IonicContact CZ-OD2 2.76Å; R20-D364 IonicContact NH1-OD1 2.82Å; R20-D364 PolarHBondContact NH1-OD1 2.9Å; R20-D364 IonicContact NH1-OD2 3.51Å; R20-D364 PolarHBondContact NH1-OD2 3.32Å; R20-D364 IonicContact NH2-OD1 3.3Å; R20-D364 PolarHBondContact NH2-OD1 3.34Å; R20-D364 IonicContact NH2-OD2 2.64Å; R20-D364 PolarHBondContact NH2-OD2 3.48Å; S362-D364 PolarHBondContact O-N 3.46Å; D364-I366 VanDerWaalsContact C-N 3.32Å; D364-I366 HydrophobicContact CB-CG1 4.45Å; D364-I366 PolarHBondContact O-N 2.83Å |
| 365 | G | 85.8 | Confident | 93.1 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 42% | 0.423 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 79.8 | 4.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S362 E363 | S362-G365 WeakPolarHBondContact O-CA 3.26Å; S362-G365 PolarHBondContact O-N 3.02Å; E363-G365 PolarHBondContact O-N 3.26Å |
| 366 | I | 89.4 | Confident | 93.1 | Very high | 20 Ų | 20 | 46 Ų | 46 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | trans | -71.5 | 135.7 | 176.6 | -59.3 | 174.1 | 0 | 0 | 0 | 110 | L21 S362 D364 L368 | L21-I366 HydrophobicContact CD1-CG2 4.05Å; S362-I366 WeakPolarHBondContact CB-O 3.44Å; S362-I366 PolarHBondContact N-O 3.12Å; D364-I366 VanDerWaalsContact C-N 3.32Å; D364-I366 HydrophobicContact CB-CG1 4.45Å; D364-I366 PolarHBondContact O-N 2.83Å; I366-L368 HydrophobicContact CG2-CD2 4.12Å | ||
| 367 | L | 92.9 | Very high | 93 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 125.4 | 175.5 | -62 | 175.2 | 0 | 0 | 0 | 111 | E356 M359 R361 Q404 | E356-L367 HydrophobicContact CG-CD1 4.49Å; M359-L367 HydrophobicContact CB-CB 4.43Å; M359-L367 HydrophobicContact CB-CD2 4.48Å; M359-L367 HydrophobicContact CE-CB 3.4Å; M359-L367 HydrophobicContact SD-CB 4.08Å; M359-L367 HydrophobicContact SD-CD1 4.38Å; R361-L367 HydrophobicContact CG-CD2 3.73Å; L367-Q404 PolarHBondContact O-NE2 3.06Å; L367-Q404 VanDerWaalsContact O-NE2 3.17Å |
| 368 | L | 95.1 | Very high | 93 | Very high | 19 Ų | 19 | 46.6 Ų | 46.6 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.4 | -178.6 | -52.8 | 178.7 | 0 | 0 | 0 | 110.2 | L21 V360 I366 P370 P399 | L21-L368 HydrophobicContact CD1-CD2 3.95Å; L21-L368 HydrophobicContact CD2-CD2 3.97Å; V360-L368 HydrophobicContact CB-CB 4.47Å; V360-L368 PolarHBondContact N-O 3.26Å; V360-L368 PolarHBondContact O-N 2.7Å; I366-L368 HydrophobicContact CG2-CD2 4.12Å; L368-P370 WeakPolarHBondContact O-CD 3.47Å; L368-P399 HydrophobicContact CB-CB 4.29Å; L368-P399 HydrophobicContact CD2-CB 4.12Å; L368-P399 HydrophobicContact CD2-CG 4.28Å |
| 369 | V | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -83.9 | 116.3 | 170.2 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | P329 M359 P399 F400 F407 | P329-V369 HydrophobicContact CB-CG1 4Å; M359-V369 HydrophobicContact CE-CG2 3.58Å; M359-V369 HydrophobicContact CG-CG2 4.36Å; M359-V369 HydrophobicContact SD-CG2 4.4Å; V369-P399 WeakPolarHBondContact O-CA 3.17Å; V369-F400 PolarHBondContact O-N 3.31Å; V369-F407 HydrophobicContact CG2-CB 3.92Å; V369-F407 HydrophobicContact CG2-CD1 4.46Å; V369-F407 HydrophobicContact CG2-CG 4.17Å | ||
| 370 | P | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -78.1 | 162.7 | 173.9 | 30.4 | -30.9 | 0 | 0 | 0 | 112 | P329 V360 L368 Y373 V394 C398 | P329-P370 HydrophobicContact CG-CG 4.17Å; V360-P370 HydrophobicContact CG2-CG 4.39Å; L368-P370 WeakPolarHBondContact O-CD 3.47Å; P370-Y373 HydrophobicContact CG-CD2 4.48Å; P370-Y373 HydrophobicContact CG-CE2 3.52Å; P370-Y373 WeakPolarHBondContact CG-OH 3.31Å; P370-V394 HydrophobicContact CB-CG1 3.5Å; P370-V394 VanDerWaalsContact CB-CG1 3.5Å; P370-V394 HydrophobicContact CB-CG2 4.36Å; P370-V394 HydrophobicContact CG-CG1 4.28Å; P370-V394 HydrophobicContact CG-CG2 4.26Å; P370-C398 HydrophobicContact CB-CB 4.31Å | ||
| 371 | E | 94.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -62.4 | -53.1 | 176.2 | -173.8 | 175 | 162.1 | 0 | 0 | 111.1 | Y301 R302 W328 R397 F400 | Y301-E371 PolarHBondContact OH-OE1 3.2Å; R302-E371 IonicContact NE-OE1 3.42Å; W328-E371 HydrophobicContact CE3-CG 4.26Å; W328-E371 VanDerWaalsContact CE3-O 3.23Å; W328-E371 HydrophobicContact CH2-CG 3.62Å; W328-E371 HydrophobicContact CZ2-CG 4.31Å; W328-E371 HydrophobicContact CZ3-CG 3.59Å; E371-R397 HydrophobicContact CB-CB 4.39Å; E371-R397 WeakPolarHBondContact CB-O 3.3Å; E371-R397 PolarHBondContact N-O 2.84Å; E371-R397 WeakPolarHBondContact OE2-CB 3.46Å; E371-R397 WeakPolarHBondContact OE2-CG 3.23Å; E371-R397 PolarHBondContact OE2-N 3.27Å; E371-R397 IonicContact OE2-NE 2.68Å; E371-R397 PolarHBondContact OE2-NE 3.15Å; E371-F400 HydrophobicContact CB-CB 4.01Å; E371-F400 HydrophobicContact CB-CD2 4.45Å; E371-F400 HydrophobicContact CB-CG 4.13Å; E371-F400 HydrophobicContact CG-CD2 4.36Å; E371-F400 HydrophobicContact CG-CG 4.36Å |
| 372 | S | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 168.3 | -176.1 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | E327 V395 | E327-S372 CarbonylContact O-C 3.44Å; E327-S372 WeakPolarHBondContact O-CA 3.05Å; S372-V395 PolarHBondContact N-O 3.29Å; S372-V395 PolarHBondContact O-N 2.64Å; S372-V395 VanDerWaalsContact O-O 3.13Å; S372-V395 VanDerWaalsContact OG-CG2 3.29Å; S372-V395 WeakPolarHBondContact OG-CG2 3.36Å; S372-V395 PolarHBondContact OG-O 2.96Å |
| 373 | Y | 97.4 | Very high | 93 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.8 | 175.3 | -74.3 | -95 | 0 | 0 | 0 | 111.9 | Y291 C326 E327 P329 I358 P370 R392 E393 V394 | Y291-Y373 AromaticContact CD1-CD1 3.48Å; Y291-Y373 HydrophobicContact CD1-CD1 3.48Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.48Å; Y291-Y373 HydrophobicContact CD1-CD2 4.01Å; Y291-Y373 AromaticContact CD1-CE1 3.67Å; Y291-Y373 HydrophobicContact CD1-CE1 3.67Å; Y291-Y373 HydrophobicContact CD1-CE2 4.18Å; Y291-Y373 AromaticContact CD1-CG 3.67Å; Y291-Y373 HydrophobicContact CD1-CG 3.67Å; Y291-Y373 AromaticContact CE1-CD1 3.84Å; Y291-Y373 HydrophobicContact CE1-CD1 3.84Å; Y291-Y373 AromaticContact CE1-CE1 3.97Å; Y291-Y373 HydrophobicContact CE1-CE1 3.97Å; Y291-Y373 HydrophobicContact CE1-CG 4.44Å; Y291-Y373 HydrophobicContact CG-CD1 4.07Å; Y291-Y373 HydrophobicContact CG-CD2 4.15Å; Y291-Y373 AromaticContact CG-CG 3.83Å; Y291-Y373 HydrophobicContact CG-CG 3.83Å; C326-Y373 WeakPolarHBondContact CA-O 3.36Å; E327-Y373 PolarHBondContact N-O 2.58Å; E327-Y373 PolarHBondContact O-N 3.03Å; P329-Y373 HydrophobicContact CG-CD2 3.77Å; P329-Y373 HydrophobicContact CG-CE2 3.45Å; P329-Y373 VanDerWaalsContact CG-CE2 3.45Å; I358-Y373 HydrophobicContact CB-CE2 4.41Å; I358-Y373 HydrophobicContact CD1-CE2 4.38Å; I358-Y373 PolarHBondContact O-OH 3.25Å; P370-Y373 HydrophobicContact CG-CD2 4.48Å; P370-Y373 HydrophobicContact CG-CE2 3.52Å; P370-Y373 WeakPolarHBondContact CG-OH 3.31Å; Y373-R392 HydrophobicContact CD1-CB 4.36Å; Y373-R392 PolarHBondContact O-NH1 3.39Å; Y373-E393 CarbonylContact C-O 3.56Å; Y373-E393 VanDerWaalsContact CA-O 3.23Å; Y373-E393 WeakPolarHBondContact CA-O 3.29Å; Y373-V394 HydrophobicContact CD1-CG2 4.12Å; Y373-V394 HydrophobicContact CE1-CG2 3.42Å; Y373-V394 VanDerWaalsContact CE1-CG2 3.42Å |
| 374 | A | 96.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 154.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R392 E393 V395 | A374-R392 CarbonylContact O-C 3.52Å; A374-R392 WeakPolarHBondContact O-CA 3.32Å; A374-R392 WeakPolarHBondContact O-CB 3.25Å; A374-E393 PolarHBondContact N-O 3.01Å; A374-E393 PolarHBondContact O-N 3.23Å; A374-V395 HydrophobicContact CB-CB 4.44Å; A374-V395 HydrophobicContact CB-CG1 3.81Å; A374-V395 HydrophobicContact CB-CG2 3.72Å |
| 375 | V | 96.3 | Very high | 94 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | trans | -71.9 | 138.8 | 171.4 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | P304 I324 L379 V380 E383 Q390 R392 | P304-V375 HydrophobicContact CG-CB 4.39Å; P304-V375 WeakPolarHBondContact CG-O 3.13Å; I324-V375 HydrophobicContact CB-CG2 4.49Å; V375-L379 HydrophobicContact CG1-CB 4.46Å; V375-V380 HydrophobicContact CG1-CG2 4.3Å; V375-E383 HydrophobicContact CG1-CB 4.15Å; V375-E383 HydrophobicContact CG2-CG 4.05Å; V375-Q390 HydrophobicContact CG1-CB 4.15Å; V375-Q390 HydrophobicContact CG1-CG 4.4Å; V375-R392 HydrophobicContact CG2-CG 4.21Å | ||
| 376 | P | 95.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | trans | -61.5 | 141.1 | 172.9 | -26.4 | 36.8 | 0 | 0 | 0 | 112.3 | D378 L379 V380 V391 | P376-D378 VanDerWaalsContact C-N 3.25Å; P376-D378 VanDerWaalsContact CB-OD1 3.31Å; P376-D378 WeakPolarHBondContact CB-OD1 3.43Å; P376-D378 PolarHBondContact O-N 3.07Å; P376-L379 HydrophobicContact CB-CB 4.41Å; P376-L379 HydrophobicContact CB-CD1 4.19Å; P376-L379 HydrophobicContact CB-CG 4.26Å; P376-L379 HydrophobicContact CG-CD1 4.09Å; P376-L379 PolarHBondContact O-N 3.12Å; P376-V380 PolarHBondContact O-N 2.66Å; P376-V391 WeakPolarHBondContact CD-O 3.27Å | ||
| 377 | Q | 92.9 | Very high | 94.4 | Very high | 110 Ų | 110 | 47 Ų | 47 | 51% | 0.514 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -51.7 | -42.5 | -174.3 | -173.5 | 70 | 26.6 | 0 | 0 | 113.5 | P304 L379 V380 | P304-Q377 VanDerWaalsContact CA-OE1 3.3Å; P304-Q377 VanDerWaalsContact O-CD 3.32Å; P304-Q377 PolarHBondContact O-NE2 2.84Å; P304-Q377 PolarHBondContact O-OE1 2.79Å; Q377-L379 VanDerWaalsContact C-N 3.29Å; Q377-L379 PolarHBondContact O-N 2.71Å; Q377-V380 WeakPolarHBondContact O-CG2 3.38Å |
| 378 | D | 94.6 | Very high | 94.2 | Very high | 127 Ų | 127 | 48.7 Ų | 48.7 | 68% | 0.679 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -72.5 | -20.7 | -177.4 | 57.7 | -48.9 | 0 | 0 | 0 | 113.1 | P376 | P376-D378 VanDerWaalsContact C-N 3.25Å; P376-D378 VanDerWaalsContact CB-OD1 3.31Å; P376-D378 WeakPolarHBondContact CB-OD1 3.43Å; P376-D378 PolarHBondContact O-N 3.07Å |
| 379 | L | 94.7 | Very high | 94.1 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -101.8 | -3.8 | -176.5 | -59.1 | -178.6 | 0 | 0 | 0 | 114.1 | V375 P376 Q377 G381 F382 E383 Q390 | V375-L379 HydrophobicContact CG1-CB 4.46Å; P376-L379 HydrophobicContact CB-CB 4.41Å; P376-L379 HydrophobicContact CB-CD1 4.19Å; P376-L379 HydrophobicContact CB-CG 4.26Å; P376-L379 HydrophobicContact CG-CD1 4.09Å; P376-L379 PolarHBondContact O-N 3.12Å; Q377-L379 VanDerWaalsContact C-N 3.29Å; Q377-L379 PolarHBondContact O-N 2.71Å; L379-G381 PolarHBondContact O-N 2.74Å; L379-F382 HydrophobicContact CD2-CD2 4.03Å; L379-F382 HydrophobicContact CD2-CE2 4.34Å; L379-F382 PolarHBondContact O-N 3.27Å; L379-E383 PolarHBondContact O-N 3.37Å; L379-E383 VanDerWaalsContact O-N 3.17Å; L379-Q390 HydrophobicContact CB-CG 4.1Å |
| 380 | V | 93.1 | Very high | 94 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.5 | -41.3 | 179.7 | 169.6 | 0 | 0 | 0 | 0 | 112.6 | P304 I324 V375 P376 Q377 F382 E383 Y384 | P304-V380 HydrophobicContact CB-CG2 3.79Å; P304-V380 HydrophobicContact CG-CG2 3.87Å; I324-V380 HydrophobicContact CD1-CG1 4.4Å; I324-V380 HydrophobicContact CG2-CG1 4.29Å; V375-V380 HydrophobicContact CG1-CG2 4.3Å; P376-V380 PolarHBondContact O-N 2.66Å; Q377-V380 WeakPolarHBondContact O-CG2 3.38Å; V380-F382 VanDerWaalsContact C-N 3.28Å; V380-F382 PolarHBondContact O-N 2.62Å; V380-E383 PolarHBondContact O-N 2.87Å; V380-Y384 HydrophobicContact CG1-CD2 3.89Å; V380-Y384 HydrophobicContact CG1-CE2 3.31Å; V380-Y384 WeakPolarHBondContact O-CD2 3.29Å; V380-Y384 PolarHBondContact O-N 2.71Å; V380-Y384 VanDerWaalsContact O-N 3.09Å |
| 381 | G | 93.4 | Very high | 94 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -35.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L379 Q385 | L379-G381 PolarHBondContact O-N 2.74Å; G381-Q385 WeakPolarHBondContact O-CG 3.5Å; G381-Q385 PolarHBondContact O-N 3.37Å |
| 382 | F | 93.6 | Very high | 94 | Very high | 113 Ų | 113 | 57.4 Ų | 57.4 | 50% | 0.496 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -76.8 | -34.4 | 177 | -62 | -66.9 | 0 | 0 | 0 | 112.1 | L379 V380 Q385 K386 Q390 | L379-F382 HydrophobicContact CD2-CD2 4.03Å; L379-F382 HydrophobicContact CD2-CE2 4.34Å; L379-F382 PolarHBondContact O-N 3.27Å; V380-F382 VanDerWaalsContact C-N 3.28Å; V380-F382 PolarHBondContact O-N 2.62Å; F382-Q385 PolarHBondContact O-N 3.42Å; F382-K386 PolarHBondContact O-N 2.9Å; F382-Q390 HydrophobicContact CB-CG 4.43Å |
| 383 | E | 93.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 174.8 | -172.3 | 72 | 172.4 | 0 | 0 | 111.5 | I324 V375 L379 V380 Q385 K386 P387 G388 S389 Q390 R392 | I324-E383 HydrophobicContact CG2-CB 4.3Å; I324-E383 HydrophobicContact CG2-CG 4.01Å; V375-E383 HydrophobicContact CG1-CB 4.15Å; V375-E383 HydrophobicContact CG2-CG 4.05Å; L379-E383 PolarHBondContact O-N 3.37Å; L379-E383 VanDerWaalsContact O-N 3.17Å; V380-E383 PolarHBondContact O-N 2.87Å; E383-Q385 VanDerWaalsContact C-N 3.32Å; E383-Q385 PolarHBondContact O-N 3.49Å; E383-K386 CarbonylContact O-C 3.56Å; E383-K386 PolarHBondContact O-N 3.37Å; E383-P387 VanDerWaalsContact O-CA 3.25Å; E383-P387 WeakPolarHBondContact O-CA 3.22Å; E383-G388 VanDerWaalsContact CD-N 3.29Å; E383-G388 WeakPolarHBondContact OE1-CA 3.33Å; E383-G388 PolarHBondContact OE1-N 3.33Å; E383-G388 PolarHBondContact OE2-N 2.92Å; E383-S389 PolarHBondContact OE2-N 3.19Å; E383-Q390 HydrophobicContact CB-CG 3.83Å; E383-Q390 WeakPolarHBondContact OE2-CB 3.37Å; E383-Q390 WeakPolarHBondContact OE2-CG 3.12Å; E383-Q390 PolarHBondContact OE2-N 3.24Å; E383-R392 IonicContact OE1-NH2 3.56Å |
| 384 | Y | 93.2 | Very high | 93.9 | Very high | 86 Ų | 86 | 64.8 Ų | 64.8 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 174.6 | -69.4 | -48.8 | 0 | 0 | 0 | 113.3 | M320 E322 I324 V380 | M320-Y384 WeakPolarHBondContact O-CE1 3.18Å; M320-Y384 PolarHBondContact O-OH 3.39Å; E322-Y384 WeakPolarHBondContact O-CE1 3.19Å; I324-Y384 HydrophobicContact CD1-CE1 4.41Å; I324-Y384 WeakPolarHBondContact CD1-OH 3.39Å; I324-Y384 HydrophobicContact CG1-CE1 4.3Å; I324-Y384 HydrophobicContact CG2-CD1 4.02Å; I324-Y384 HydrophobicContact CG2-CE1 3.64Å; V380-Y384 HydrophobicContact CG1-CD2 3.89Å; V380-Y384 HydrophobicContact CG1-CE2 3.31Å; V380-Y384 WeakPolarHBondContact O-CD2 3.29Å; V380-Y384 PolarHBondContact O-N 2.71Å; V380-Y384 VanDerWaalsContact O-N 3.09Å |
| 385 | Q | 92.7 | Very high | 93.7 | Very high | 157 Ų | 157 | 66 Ų | 66 | 73% | 0.734 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -70.4 | -36.5 | 178.9 | -69.7 | 175.6 | 16.4 | 0 | 0 | 111.9 | G381 F382 E383 | G381-Q385 WeakPolarHBondContact O-CG 3.5Å; G381-Q385 PolarHBondContact O-N 3.37Å; F382-Q385 PolarHBondContact O-N 3.42Å; E383-Q385 VanDerWaalsContact C-N 3.32Å; E383-Q385 PolarHBondContact O-N 3.49Å |
| 386 | K | 92.6 | Very high | 93.4 | Very high | 151 Ų | 151 | 67.6 Ų | 67.6 | 66% | 0.657 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -141.5 | 89.9 | 178.5 | -169.8 | 177.1 | -179 | 178.8 | 0 | 109.8 | F382 E383 S389 | F382-K386 PolarHBondContact O-N 2.9Å; E383-K386 CarbonylContact O-C 3.56Å; E383-K386 PolarHBondContact O-N 3.37Å; K386-S389 WeakPolarHBondContact O-CB 3.3Å; K386-S389 PolarHBondContact O-N 2.81Å; K386-S389 PolarHBondContact O-OG 3.12Å |
| 387 | P | 91.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 70.5 Ų | 70.5 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 138.4 | -179.3 | -29.8 | 36.8 | 0 | 0 | 0 | 112.9 | N323 E383 S389 | N323-P387 HydrophobicContact CB-CB 4.1Å; N323-P387 HydrophobicContact CB-CG 4.01Å; E383-P387 VanDerWaalsContact O-CA 3.25Å; E383-P387 WeakPolarHBondContact O-CA 3.22Å; P387-S389 VanDerWaalsContact C-N 3.33Å |
| 388 | G | 89.1 | Confident | 93.1 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 63% | 0.629 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 14.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E383 | E383-G388 VanDerWaalsContact CD-N 3.29Å; E383-G388 WeakPolarHBondContact OE1-CA 3.33Å; E383-G388 PolarHBondContact OE1-N 3.33Å; E383-G388 PolarHBondContact OE2-N 2.92Å |
| 389 | S | 92.2 | Very high | 92.9 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | trans | -88.7 | -29 | -177.9 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | E383 K386 P387 | E383-S389 PolarHBondContact OE2-N 3.19Å; K386-S389 WeakPolarHBondContact O-CB 3.3Å; K386-S389 PolarHBondContact O-N 2.81Å; K386-S389 PolarHBondContact O-OG 3.12Å; P387-S389 VanDerWaalsContact C-N 3.33Å | ||
| 390 | Q | 94.5 | Very high | 92.8 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -85.9 | 148.9 | -174.1 | -55.4 | -49.1 | -58.3 | 0 | 0 | 112.7 | V375 L379 F382 E383 | V375-Q390 HydrophobicContact CG1-CB 4.15Å; V375-Q390 HydrophobicContact CG1-CG 4.4Å; L379-Q390 HydrophobicContact CB-CG 4.1Å; F382-Q390 HydrophobicContact CB-CG 4.43Å; E383-Q390 HydrophobicContact CB-CG 3.83Å; E383-Q390 WeakPolarHBondContact OE2-CB 3.37Å; E383-Q390 WeakPolarHBondContact OE2-CG 3.12Å; E383-Q390 PolarHBondContact OE2-N 3.24Å |
| 391 | V | 94.6 | Very high | 92.8 | Very high | 98 Ų | 98 | 62.9 Ų | 62.9 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 131.1 | 169.3 | 177.7 | 0 | 0 | 0 | 0 | 108 | Y291 P376 | Y291-V391 WeakPolarHBondContact OH-CG1 3.44Å; P376-V391 WeakPolarHBondContact CD-O 3.27Å |
| 392 | R | 95.3 | Very high | 92.8 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -97.1 | 148.7 | -178.3 | -64.1 | 179.1 | 173.7 | -117.6 | 0.1 | 111.8 | Y291 E325 E327 Y373 A374 V375 E383 | Y291-R392 HydrophobicContact CD2-CB 4.1Å; Y291-R392 HydrophobicContact CD2-CG 4.25Å; Y291-R392 HydrophobicContact CE2-CB 3.78Å; Y291-R392 HydrophobicContact CE2-CG 3.98Å; Y291-R392 PolarHBondContact OH-N 2.68Å; E325-R392 PolarHBondContact O-NH1 3.12Å; E325-R392 PolarHBondContact O-NH2 2.95Å; E327-R392 IonicContact OE1-CZ 3.42Å; E327-R392 IonicContact OE1-NE 2.79Å; E327-R392 PolarHBondContact OE1-NE 2.88Å; E327-R392 IonicContact OE1-NH2 3.55Å; Y373-R392 HydrophobicContact CD1-CB 4.36Å; Y373-R392 PolarHBondContact O-NH1 3.39Å; A374-R392 CarbonylContact O-C 3.52Å; A374-R392 WeakPolarHBondContact O-CA 3.32Å; A374-R392 WeakPolarHBondContact O-CB 3.25Å; V375-R392 HydrophobicContact CG2-CG 4.21Å; E383-R392 IonicContact OE1-NH2 3.56Å |
| 393 | E | 95.6 | Very high | 92.8 | Very high | 105 Ų | 105 | 55.8 Ų | 55.8 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 155.9 | 177.5 | 65.8 | 179.8 | -176.9 | 0 | 0 | 112.1 | Y373 A374 V395 | Y373-E393 CarbonylContact C-O 3.56Å; Y373-E393 VanDerWaalsContact CA-O 3.23Å; Y373-E393 WeakPolarHBondContact CA-O 3.29Å; A374-E393 PolarHBondContact N-O 3.01Å; A374-E393 PolarHBondContact O-N 3.23Å; E393-V395 HydrophobicContact CG-CG1 4.31Å |
| 394 | V | 96 | Very high | 92.9 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 36% | 0.358 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 127.4 | -179.3 | 173.1 | 0 | 0 | 0 | 0 | 110 | V360 P370 Y373 | V360-V394 HydrophobicContact CG2-CG2 3.79Å; P370-V394 HydrophobicContact CB-CG1 3.5Å; P370-V394 VanDerWaalsContact CB-CG1 3.5Å; P370-V394 HydrophobicContact CB-CG2 4.36Å; P370-V394 HydrophobicContact CG-CG1 4.28Å; P370-V394 HydrophobicContact CG-CG2 4.26Å; Y373-V394 HydrophobicContact CD1-CG2 4.12Å; Y373-V394 HydrophobicContact CE1-CG2 3.42Å; Y373-V394 VanDerWaalsContact CE1-CG2 3.42Å |
| 395 | V | 93.8 | Very high | 93 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.9 | 175.2 | -58 | 0 | 0 | 0 | 0 | 111.7 | R302 S372 A374 E393 | R302-V395 HydrophobicContact CB-CG2 4.09Å; S372-V395 PolarHBondContact N-O 3.29Å; S372-V395 PolarHBondContact O-N 2.64Å; S372-V395 VanDerWaalsContact O-O 3.13Å; S372-V395 VanDerWaalsContact OG-CG2 3.29Å; S372-V395 WeakPolarHBondContact OG-CG2 3.36Å; S372-V395 PolarHBondContact OG-O 2.96Å; A374-V395 HydrophobicContact CB-CB 4.44Å; A374-V395 HydrophobicContact CB-CG1 3.81Å; A374-V395 HydrophobicContact CB-CG2 3.72Å; E393-V395 HydrophobicContact CG-CG1 4.31Å |
| 396 | G | 90.4 | Very high | 93.2 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 86.7 | -154.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 397 | R | 89.6 | Confident | 93.4 | Very high | 79 Ų | 79 | 38 Ų | 38 | 30% | 0.298 | 23% | 0.232 | S | C | . | . | trans | -72.5 | 138.4 | -177 | -67.1 | 175.6 | -77.9 | 176.2 | -5.7 | 111.6 | D46 E371 | D46-R397 IonicContact OD2-CZ 3.77Å; D46-R397 IonicContact OD2-NH1 2.89Å; D46-R397 PolarHBondContact OD2-NH1 2.94Å; D46-R397 IonicContact OD2-NH2 3.92Å; D46-R397 PolarHBondContact OD2-NH2 3.2Å; E371-R397 HydrophobicContact CB-CB 4.39Å; E371-R397 WeakPolarHBondContact CB-O 3.3Å; E371-R397 PolarHBondContact N-O 2.84Å; E371-R397 WeakPolarHBondContact OE2-CB 3.46Å; E371-R397 WeakPolarHBondContact OE2-CG 3.23Å; E371-R397 PolarHBondContact OE2-N 3.27Å; E371-R397 IonicContact OE2-NE 2.68Å; E371-R397 PolarHBondContact OE2-NE 3.15Å | ||
| 398 | C | 91.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 34.7 Ų | 34.7 | 37% | 0.372 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -145.8 | 111.5 | 171.7 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | P370 | P370-C398 HydrophobicContact CB-CB 4.31Š|
| 399 | P | 91 | Very high | 93.9 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 23% | 0.234 | 18% | 0.18 | C | C | . | . | S | Bend | cis | -71.9 | 147.5 | 0.9 | 31 | -34.4 | 0 | 0 | 0 | 112.4 | L368 V369 L401 Q404 | L368-P399 HydrophobicContact CB-CB 4.29Å; L368-P399 HydrophobicContact CD2-CB 4.12Å; L368-P399 HydrophobicContact CD2-CG 4.28Å; V369-P399 WeakPolarHBondContact O-CA 3.17Å; P399-L401 HydrophobicContact CG-CD2 4.33Å; P399-Q404 HydrophobicContact CB-CB 4.5Å |
| 400 | F | 92.8 | Very high | 94 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.013 | 17% | 0.165 | C | C | . | . | trans | -87.4 | 107.2 | 164.9 | 176.1 | -131.2 | 0 | 0 | 0 | 109 | W328 L330 V369 E371 W402 G403 Q404 | W328-F400 HydrophobicContact CE3-CE1 4.38Å; W328-F400 HydrophobicContact CZ3-CE1 4.07Å; W328-F400 HydrophobicContact CZ3-CZ 4.12Å; L330-F400 HydrophobicContact CB-CE1 4.44Å; L330-F400 HydrophobicContact CD1-CE1 4.27Å; L330-F400 HydrophobicContact CD2-CE1 4.15Å; V369-F400 PolarHBondContact O-N 3.31Å; E371-F400 HydrophobicContact CB-CB 4.01Å; E371-F400 HydrophobicContact CB-CD2 4.45Å; E371-F400 HydrophobicContact CB-CG 4.13Å; E371-F400 HydrophobicContact CG-CD2 4.36Å; E371-F400 HydrophobicContact CG-CG 4.36Å; F400-W402 VanDerWaalsContact C-N 3.31Å; F400-W402 HydrophobicContact CD1-CB 4.43Å; F400-W402 HydrophobicContact CE1-CB 3.84Å; F400-W402 HydrophobicContact CE1-CD2 4.43Å; F400-W402 HydrophobicContact CE1-CE3 4.33Å; F400-W402 HydrophobicContact CE1-CG 4.28Å; F400-W402 HydrophobicContact CE2-CB 4.02Å; F400-W402 HydrophobicContact CZ-CB 3.63Å; F400-W402 HydrophobicContact CZ-CD2 4.11Å; F400-W402 AromaticContact CZ-CE3 3.64Å; F400-W402 HydrophobicContact CZ-CE3 3.64Å; F400-W402 HydrophobicContact CZ-CG 4.17Å; F400-W402 PolarHBondContact O-N 2.65Å; F400-G403 PolarHBondContact O-N 3.33Å; F400-G403 VanDerWaalsContact O-N 3.12Å; F400-Q404 WeakPolarHBondContact O-CB 3.09Å; F400-Q404 PolarHBondContact O-N 3.4Å | ||
| 401 | L | 92.1 | Very high | 94 | Very high | 35 Ų | 35 | 29.6 Ų | 29.6 | 18% | 0.183 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -33.3 | -166.8 | -64.5 | -178.2 | 0 | 0 | 0 | 114.4 | L21 I22 C50 P399 S405 | L21-L401 WeakPolarHBondContact O-CD2 3.48Å; I22-L401 HydrophobicContact CG1-CD2 4.34Å; C50-L401 HydrophobicContact CB-CB 4.46Å; P399-L401 HydrophobicContact CG-CD2 4.33Å; L401-S405 VanDerWaalsContact O-CB 3.24Å; L401-S405 WeakPolarHBondContact O-CB 3.35Å; L401-S405 PolarHBondContact O-N 3.14Å |
| 402 | W | 93.6 | Very high | 94 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -53.5 | 173.7 | 178.5 | 1.2 | 0 | 0 | 0 | 110.9 | R45 Y49 I183 L330 Y334 F400 Q404 S405 L406 | R45-W402 HydrophobicContact CG-CH2 4.26Å; R45-W402 HydrophobicContact CG-CZ3 4.24Å; Y49-W402 AromaticContact CD1-CD1 3.75Å; Y49-W402 AromaticContact CD1-NE1 3.35Å; Y49-W402 VanDerWaalsContact CD1-NE1 3.35Å; Y49-W402 AromaticContact CD2-CD1 3.81Å; Y49-W402 AromaticContact CD2-CD2 3.81Å; Y49-W402 HydrophobicContact CD2-CD2 3.81Å; Y49-W402 AromaticContact CD2-CE2 3.3Å; Y49-W402 HydrophobicContact CD2-CE3 4.48Å; Y49-W402 HydrophobicContact CD2-CG 4.13Å; Y49-W402 HydrophobicContact CD2-CH2 4.39Å; Y49-W402 AromaticContact CD2-CZ2 3.63Å; Y49-W402 HydrophobicContact CD2-CZ2 3.63Å; Y49-W402 AromaticContact CD2-NE1 3.29Å; Y49-W402 VanDerWaalsContact CD2-NE1 3.29Å; Y49-W402 AromaticContact CE1-NE1 3.65Å; Y49-W402 HydrophobicContact CE2-CD2 4.33Å; Y49-W402 AromaticContact CE2-CE2 3.43Å; Y49-W402 VanDerWaalsContact CE2-CE2 3.43Å; Y49-W402 HydrophobicContact CE2-CH2 4.07Å; Y49-W402 AromaticContact CE2-CZ2 3.26Å; Y49-W402 HydrophobicContact CE2-CZ2 3.26Å; Y49-W402 AromaticContact CE2-NE1 3.58Å; Y49-W402 AromaticContact CG-CD1 3.39Å; Y49-W402 HydrophobicContact CG-CD2 4.17Å; Y49-W402 AromaticContact CG-CE2 3.72Å; Y49-W402 HydrophobicContact CG-CG 4.01Å; Y49-W402 HydrophobicContact CG-CZ2 4.42Å; Y49-W402 AromaticContact CG-NE1 3.17Å; Y49-W402 AromaticContact CZ-CE2 3.98Å; Y49-W402 AromaticContact CZ-CZ2 3.81Å; Y49-W402 AromaticContact CZ-NE1 3.77Å; I183-W402 HydrophobicContact CD1-CH2 3.74Å; I183-W402 HydrophobicContact CD1-CZ2 4.25Å; I183-W402 HydrophobicContact CG1-CH2 4.04Å; L330-W402 HydrophobicContact CD1-CD2 4.26Å; L330-W402 HydrophobicContact CD1-CG 4.03Å; L330-W402 HydrophobicContact CD2-CD2 4.22Å; L330-W402 HydrophobicContact CD2-CE3 4.46Å; L330-W402 HydrophobicContact CD2-CH2 4.4Å; L330-W402 HydrophobicContact CD2-CZ2 4.23Å; Y334-W402 HydrophobicContact CE2-CZ2 4.36Å; Y334-W402 AromaticContact CZ-NE1 3.9Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.35Å; Y334-W402 PolarHBondContact OH-NE1 2.93Å; F400-W402 VanDerWaalsContact C-N 3.31Å; F400-W402 HydrophobicContact CD1-CB 4.43Å; F400-W402 HydrophobicContact CE1-CB 3.84Å; F400-W402 HydrophobicContact CE1-CD2 4.43Å; F400-W402 HydrophobicContact CE1-CE3 4.33Å; F400-W402 HydrophobicContact CE1-CG 4.28Å; F400-W402 HydrophobicContact CE2-CB 4.02Å; F400-W402 HydrophobicContact CZ-CB 3.63Å; F400-W402 HydrophobicContact CZ-CD2 4.11Å; F400-W402 AromaticContact CZ-CE3 3.64Å; F400-W402 HydrophobicContact CZ-CE3 3.64Å; F400-W402 HydrophobicContact CZ-CG 4.17Å; F400-W402 PolarHBondContact O-N 2.65Å; W402-Q404 VanDerWaalsContact C-N 3.35Å; W402-Q404 PolarHBondContact O-N 3.33Å; W402-S405 PolarHBondContact O-N 3.37Å; W402-L406 PolarHBondContact O-N 2.78Å |
| 403 | G | 94.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F400 S405 L406 F407 | F400-G403 PolarHBondContact O-N 3.33Å; F400-G403 VanDerWaalsContact O-N 3.12Å; G403-S405 VanDerWaalsContact C-N 3.34Å; G403-S405 PolarHBondContact O-N 3.28Å; G403-L406 PolarHBondContact O-N 3.26Å; G403-F407 WeakPolarHBondContact O-CB 3.02Å; G403-F407 PolarHBondContact O-N 3.45Å |
| 404 | Q | 95.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 178.4 | -167.4 | 69.3 | 34.2 | 0 | 0 | 112 | L21 L367 P399 F400 W402 F407 I408 | L21-Q404 HydrophobicContact CD1-CG 4.03Å; L367-Q404 PolarHBondContact O-NE2 3.06Å; L367-Q404 VanDerWaalsContact O-NE2 3.17Å; P399-Q404 HydrophobicContact CB-CB 4.5Å; F400-Q404 WeakPolarHBondContact O-CB 3.09Å; F400-Q404 PolarHBondContact O-N 3.4Å; W402-Q404 VanDerWaalsContact C-N 3.35Å; W402-Q404 PolarHBondContact O-N 3.33Å; Q404-F407 PolarHBondContact O-N 3.28Å; Q404-I408 HydrophobicContact CG-CD1 4.28Å; Q404-I408 VanDerWaalsContact O-CG1 3.32Å; Q404-I408 WeakPolarHBondContact O-CG1 3.23Å; Q404-I408 PolarHBondContact O-N 3.5Å |
| 405 | S | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.2 | -49.5 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | Y49 C50 A53 L401 W402 G403 F407 I408 L409 | Y49-S405 VanDerWaalsContact O-CB 3.26Å; Y49-S405 WeakPolarHBondContact O-CB 3.31Å; Y49-S405 PolarHBondContact O-OG 3.02Å; C50-S405 PolarHBondContact O-OG 3.13Å; A53-S405 VanDerWaalsContact CB-OG 3.29Å; A53-S405 WeakPolarHBondContact CB-OG 3.44Å; A53-S405 PolarHBondContact N-OG 2.68Å; L401-S405 VanDerWaalsContact O-CB 3.24Å; L401-S405 WeakPolarHBondContact O-CB 3.35Å; L401-S405 PolarHBondContact O-N 3.14Å; W402-S405 PolarHBondContact O-N 3.37Å; G403-S405 VanDerWaalsContact C-N 3.34Å; G403-S405 PolarHBondContact O-N 3.28Å; S405-F407 VanDerWaalsContact C-N 3.31Å; S405-F407 PolarHBondContact O-N 3.3Å; S405-I408 PolarHBondContact O-N 2.8Å; S405-L409 PolarHBondContact O-N 2.92Å |
| 406 | L | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -35.4 | 178.3 | -63.3 | -175.1 | 0 | 0 | 0 | 112.5 | Y49 L52 F265 L330 C333 Y334 L337 W402 G403 L409 G410 | Y49-L406 HydrophobicContact CD1-CD2 4.18Å; L52-L406 HydrophobicContact CD1-CD2 4.42Å; F265-L406 HydrophobicContact CE1-CD2 4.27Å; L330-L406 HydrophobicContact CD1-CD1 3.97Å; C333-L406 HydrophobicContact CB-CB 3.81Å; Y334-L406 HydrophobicContact CD1-CD1 4.19Å; Y334-L406 HydrophobicContact CD2-CD1 4.26Å; Y334-L406 HydrophobicContact CE1-CD1 3.76Å; Y334-L406 HydrophobicContact CE2-CD1 3.85Å; Y334-L406 HydrophobicContact CG-CD1 4.41Å; L337-L406 HydrophobicContact CD1-CB 4.11Å; L337-L406 HydrophobicContact CD1-CD2 3.88Å; L337-L406 HydrophobicContact CD1-CG 4.41Å; W402-L406 PolarHBondContact O-N 2.78Å; G403-L406 PolarHBondContact O-N 3.26Å; L406-L409 HydrophobicContact CD2-CD1 4.29Å; L406-L409 PolarHBondContact O-N 3Å; L406-G410 PolarHBondContact O-N 3.39Å |
| 407 | F | 96.1 | Very high | 93.3 | Very high | 18 Ų | 18 | 23.5 Ų | 23.5 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.7 | -47.4 | 172.8 | 169.1 | -108.2 | 0 | 0 | 0 | 112 | L355 M359 V369 G403 Q404 S405 L409 G410 R411 | L355-F407 HydrophobicContact CD2-CD2 3.64Å; L355-F407 HydrophobicContact CD2-CE2 4.26Å; L355-F407 HydrophobicContact CD2-CG 4.48Å; M359-F407 HydrophobicContact CE-CD1 3.78Å; M359-F407 HydrophobicContact CE-CD2 4.34Å; M359-F407 HydrophobicContact CE-CE1 3.53Å; M359-F407 HydrophobicContact CE-CE2 4.11Å; M359-F407 HydrophobicContact CE-CG 4.17Å; M359-F407 HydrophobicContact CE-CZ 3.7Å; M359-F407 HydrophobicContact SD-CD2 4.34Å; M359-F407 HydrophobicContact SD-CE1 4.36Å; M359-F407 HydrophobicContact SD-CE2 3.91Å; M359-F407 HydrophobicContact SD-CZ 3.91Å; V369-F407 HydrophobicContact CG2-CB 3.92Å; V369-F407 HydrophobicContact CG2-CD1 4.46Å; V369-F407 HydrophobicContact CG2-CG 4.17Å; G403-F407 WeakPolarHBondContact O-CB 3.02Å; G403-F407 PolarHBondContact O-N 3.45Å; Q404-F407 PolarHBondContact O-N 3.28Å; S405-F407 VanDerWaalsContact C-N 3.31Å; S405-F407 PolarHBondContact O-N 3.3Å; F407-L409 VanDerWaalsContact C-N 3.33Å; F407-L409 PolarHBondContact O-N 2.88Å; F407-G410 PolarHBondContact O-N 3.17Å; F407-R411 HydrophobicContact CD2-CG 4.2Å; F407-R411 HydrophobicContact CE1-CG 4.3Å; F407-R411 HydrophobicContact CE2-CG 3.76Å; F407-R411 HydrophobicContact CZ-CG 3.81Å; F407-R411 WeakPolarHBondContact O-CG 3.41Å; F407-R411 PolarHBondContact O-N 3.42Å |
| 408 | I | 95.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 178.3 | -68 | 165.2 | 0 | 0 | 0 | 110.3 | Y14 I17 V18 I22 A53 Q404 S405 R411 L412 | Y14-I408 HydrophobicContact CD1-CG2 4.22Å; I17-I408 HydrophobicContact CG2-CD1 3.95Å; V18-I408 HydrophobicContact CG2-CD1 3.98Å; V18-I408 HydrophobicContact CG2-CG2 4.25Å; I22-I408 HydrophobicContact CD1-CD1 4.38Å; A53-I408 HydrophobicContact CB-CB 4.11Å; A53-I408 HydrophobicContact CB-CD1 4.38Å; A53-I408 HydrophobicContact CB-CG2 4.14Å; Q404-I408 HydrophobicContact CG-CD1 4.28Å; Q404-I408 VanDerWaalsContact O-CG1 3.32Å; Q404-I408 WeakPolarHBondContact O-CG1 3.23Å; Q404-I408 PolarHBondContact O-N 3.5Å; S405-I408 PolarHBondContact O-N 2.8Å; I408-R411 PolarHBondContact O-N 3.32Å; I408-L412 HydrophobicContact CG2-CD1 4.22Å; I408-L412 HydrophobicContact CG2-CG 4.47Å; I408-L412 WeakPolarHBondContact O-CG 3.33Å; I408-L412 PolarHBondContact O-N 3.27Å |
| 409 | L | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.5 | -46.9 | 175.1 | -75 | 171.4 | 0 | 0 | 0 | 112.8 | L52 L337 S405 L406 F407 R411 L412 L413 L418 L423 | L52-L409 HydrophobicContact CB-CD1 3.6Å; L52-L409 WeakPolarHBondContact O-CD2 3.23Å; L337-L409 HydrophobicContact CD2-CB 4.33Å; S405-L409 PolarHBondContact O-N 2.92Å; L406-L409 HydrophobicContact CD2-CD1 4.29Å; L406-L409 PolarHBondContact O-N 3Å; F407-L409 VanDerWaalsContact C-N 3.33Å; F407-L409 PolarHBondContact O-N 2.88Å; L409-R411 PolarHBondContact O-N 2.87Å; L409-L412 PolarHBondContact O-N 2.66Å; L409-L413 PolarHBondContact O-N 3.46Å; L409-L418 HydrophobicContact CD2-CD1 4.28Å; L409-L423 HydrophobicContact CD2-CD1 4.28Å; L409-L423 HydrophobicContact CD2-CD2 3.97Å |
| 410 | G | 95 | Very high | 93.5 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.9 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L406 F407 L413 Q414 | L406-G410 PolarHBondContact O-N 3.39Å; F407-G410 PolarHBondContact O-N 3.17Å; G410-L413 PolarHBondContact O-N 2.95Å; G410-Q414 WeakPolarHBondContact O-CB 3.36Å; G410-Q414 PolarHBondContact O-N 3.43Å |
| 411 | R | 94.4 | Very high | 93.4 | Very high | 42 Ų | 42 | 20.7 Ų | 20.7 | 16% | 0.158 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.6 | -40.2 | 176.6 | -65.5 | -67.3 | -91.7 | -160.8 | -20.3 | 113.3 | Y14 E356 F407 I408 L409 L413 Q414 E415 | Y14-R411 HydrophobicContact CE1-CB 4.03Å; Y14-R411 WeakPolarHBondContact OH-CB 3.43Å; E356-R411 IonicContact OE1-CZ 3.28Å; E356-R411 IonicContact OE1-NH1 3.87Å; E356-R411 PolarHBondContact OE1-NH1 3.1Å; E356-R411 IonicContact OE1-NH2 3.17Å; E356-R411 PolarHBondContact OE1-NH2 3.35Å; F407-R411 HydrophobicContact CD2-CG 4.2Å; F407-R411 HydrophobicContact CE1-CG 4.3Å; F407-R411 HydrophobicContact CE2-CG 3.76Å; F407-R411 HydrophobicContact CZ-CG 3.81Å; F407-R411 WeakPolarHBondContact O-CG 3.41Å; F407-R411 PolarHBondContact O-N 3.42Å; I408-R411 PolarHBondContact O-N 3.32Å; L409-R411 PolarHBondContact O-N 2.87Å; R411-L413 PolarHBondContact O-N 2.99Å; R411-Q414 PolarHBondContact O-N 3.15Å; R411-E415 WeakPolarHBondContact O-CB 3.49Å; R411-E415 WeakPolarHBondContact O-CG 3.48Å; R411-E415 PolarHBondContact O-N 3.01Å |
| 412 | L | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.1 | -35.9 | 174.5 | -69.3 | 174.7 | 0 | 0 | 0 | 111.8 | L11 Y14 L57 I408 L409 G416 F417 L418 | L11-L412 HydrophobicContact CD2-CD2 4.35Å; Y14-L412 HydrophobicContact CD2-CD2 3.74Å; Y14-L412 HydrophobicContact CE2-CD2 4.08Å; Y14-L412 HydrophobicContact CG-CD2 3.98Å; L57-L412 HydrophobicContact CB-CD1 4.36Å; L57-L412 HydrophobicContact CD1-CD2 4.42Å; I408-L412 HydrophobicContact CG2-CD1 4.22Å; I408-L412 HydrophobicContact CG2-CG 4.47Å; I408-L412 WeakPolarHBondContact O-CG 3.33Å; I408-L412 PolarHBondContact O-N 3.27Å; L409-L412 PolarHBondContact O-N 2.66Å; L412-G416 PolarHBondContact O-N 2.93Å; L412-F417 HydrophobicContact CD2-CB 4.16Å; L412-F417 HydrophobicContact CD2-CD2 4.11Å; L412-F417 HydrophobicContact CD2-CG 4.45Å; L412-F417 PolarHBondContact O-N 3.33Å; L412-L418 HydrophobicContact CB-CB 4.47Å; L412-L418 HydrophobicContact CB-CD1 3.7Å; L412-L418 HydrophobicContact CB-CG 4.04Å; L412-L418 HydrophobicContact CD1-CD1 3.91Å; L412-L418 HydrophobicContact CG-CD1 4.46Å; L412-L418 PolarHBondContact O-N 2.84Å; L412-L418 VanDerWaalsContact O-N 3.12Å |
| 413 | L | 93.3 | Very high | 93.2 | Very high | 20 Ų | 20 | 20.9 Ų | 20.9 | 11% | 0.105 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.1 | -47.3 | 172.4 | -70.7 | 171 | 0 | 0 | 0 | 112.3 | L337 A340 L409 G410 R411 E415 G416 L418 V420 L423 | L337-L413 HydrophobicContact CD2-CD1 3.67Å; A340-L413 HydrophobicContact CB-CD1 4.19Å; L409-L413 PolarHBondContact O-N 3.46Å; G410-L413 PolarHBondContact O-N 2.95Å; R411-L413 PolarHBondContact O-N 2.99Å; L413-E415 VanDerWaalsContact C-N 3.32Å; L413-E415 PolarHBondContact O-N 3.2Å; L413-G416 PolarHBondContact O-N 3.39Å; L413-G416 VanDerWaalsContact O-N 3.07Å; L413-L418 HydrophobicContact CD2-CB 3.78Å; L413-L418 HydrophobicContact CG-CB 4.36Å; L413-V420 HydrophobicContact CD2-CG1 4.18Å; L413-L423 HydrophobicContact CD1-CD1 3.86Å; L413-L423 HydrophobicContact CD2-CD1 4.08Å; L413-L423 HydrophobicContact CG-CD1 4.1Å |
| 414 | Q | 91.8 | Very high | 93.1 | Very high | 56 Ų | 56 | 20.9 Ų | 20.9 | 26% | 0.262 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60 | -41.2 | -179.4 | -173.3 | -176 | 12.8 | 0 | 0 | 111.7 | V348 E349 G410 R411 G416 | V348-Q414 HydrophobicContact CG1-CB 4.39Å; V348-Q414 HydrophobicContact CG1-CG 4.07Å; E349-Q414 PolarHBondContact OE2-NE2 3.13Å; G410-Q414 WeakPolarHBondContact O-CB 3.36Å; G410-Q414 PolarHBondContact O-N 3.43Å; R411-Q414 PolarHBondContact O-N 3.15Å; Q414-G416 VanDerWaalsContact C-N 3.27Å; Q414-G416 PolarHBondContact O-N 3.37Å |
| 415 | E | 90.9 | Very high | 93 | Very high | 65 Ų | 65 | 22.5 Ų | 22.5 | 30% | 0.304 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -2.3 | 178.4 | -63.4 | -170.8 | -171.7 | 0 | 0 | 113 | R10 Y14 R411 L413 F417 | R10-E415 VanDerWaalsContact CG-OE2 3.26Å; R10-E415 WeakPolarHBondContact CG-OE2 3.49Å; R10-E415 IonicContact CZ-OE1 2.7Å; R10-E415 IonicContact CZ-OE2 3.21Å; R10-E415 IonicContact NE-OE1 3.64Å; R10-E415 PolarHBondContact NE-OE1 3.49Å; R10-E415 IonicContact NE-OE2 3.94Å; R10-E415 PolarHBondContact NE-OE2 3.46Å; R10-E415 IonicContact NH2-OE1 2.84Å; R10-E415 PolarHBondContact NH2-OE1 3.11Å; R10-E415 IonicContact NH2-OE2 3.52Å; Y14-E415 PolarHBondContact OH-OE1 3.16Å; Y14-E415 PolarHBondContact OH-OE2 2.88Å; R411-E415 WeakPolarHBondContact O-CB 3.49Å; R411-E415 WeakPolarHBondContact O-CG 3.48Å; R411-E415 PolarHBondContact O-N 3.01Å; L413-E415 VanDerWaalsContact C-N 3.32Å; L413-E415 PolarHBondContact O-N 3.2Å; E415-F417 VanDerWaalsContact C-N 3.34Å; E415-F417 HydrophobicContact CB-CD2 3.73Å; E415-F417 HydrophobicContact CB-CE2 3.69Å; E415-F417 PolarHBondContact O-N 3.02Å; E415-F417 WeakPolarHBondContact OE2-CE2 3.46Å |
| 416 | G | 89.8 | Confident | 92.7 | Very high | 53 Ų | 53 | 25.4 Ų | 25.4 | 55% | 0.546 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 12.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L412 L413 Q414 L418 | L412-G416 PolarHBondContact O-N 2.93Å; L413-G416 PolarHBondContact O-N 3.39Å; L413-G416 VanDerWaalsContact O-N 3.07Å; Q414-G416 VanDerWaalsContact C-N 3.27Å; Q414-G416 PolarHBondContact O-N 3.37Å; G416-L418 VanDerWaalsContact C-N 3.3Å |
| 417 | F | 91.4 | Very high | 92.5 | Very high | 17 Ų | 17 | 29 Ų | 29 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -69.6 | -32.7 | 172.6 | -67.2 | -62.8 | 0 | 0 | 0 | 111.9 | R10 L11 Y14 A60 I64 L412 E415 | R10-F417 HydrophobicContact CB-CE2 4.3Å; R10-F417 HydrophobicContact CB-CZ 3.83Å; R10-F417 HydrophobicContact CG-CE2 3.75Å; R10-F417 HydrophobicContact CG-CZ 3.78Å; L11-F417 HydrophobicContact CD1-CD1 4.14Å; L11-F417 HydrophobicContact CD1-CE1 4.26Å; L11-F417 HydrophobicContact CD2-CB 4.29Å; L11-F417 HydrophobicContact CD2-CD1 3.85Å; L11-F417 HydrophobicContact CD2-CD2 4.37Å; L11-F417 HydrophobicContact CD2-CE1 4.28Å; L11-F417 HydrophobicContact CD2-CG 3.91Å; L11-F417 HydrophobicContact CG-CD1 3.89Å; L11-F417 HydrophobicContact CG-CE1 3.88Å; L11-F417 HydrophobicContact CG-CG 4.41Å; L11-F417 HydrophobicContact CG-CZ 4.39Å; Y14-F417 HydrophobicContact CE2-CD2 4.43Å; Y14-F417 HydrophobicContact CE2-CE2 4.22Å; A60-F417 HydrophobicContact CB-CB 4.18Å; I64-F417 HydrophobicContact CD1-CD1 3.65Å; I64-F417 HydrophobicContact CD1-CE1 4.34Å; L412-F417 HydrophobicContact CD2-CB 4.16Å; L412-F417 HydrophobicContact CD2-CD2 4.11Å; L412-F417 HydrophobicContact CD2-CG 4.45Å; L412-F417 PolarHBondContact O-N 3.33Å; E415-F417 VanDerWaalsContact C-N 3.34Å; E415-F417 HydrophobicContact CB-CD2 3.73Å; E415-F417 HydrophobicContact CB-CE2 3.69Å; E415-F417 PolarHBondContact O-N 3.02Å; E415-F417 WeakPolarHBondContact OE2-CE2 3.46Å |
| 418 | L | 92.1 | Very high | 92.1 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -115.2 | 146.1 | 174.7 | -70.1 | 175.6 | 0 | 0 | 0 | 111.7 | G56 M59 A60 L409 L412 L413 G416 E422 L423 | G56-L418 WeakPolarHBondContact O-CD1 3.47Å; G56-L418 WeakPolarHBondContact O-CD2 2.95Å; M59-L418 HydrophobicContact CB-CD2 3.84Å; A60-L418 HydrophobicContact CB-CD2 4.01Å; A60-L418 HydrophobicContact CB-CG 4.25Å; L409-L418 HydrophobicContact CD2-CD1 4.28Å; L412-L418 HydrophobicContact CB-CB 4.47Å; L412-L418 HydrophobicContact CB-CD1 3.7Å; L412-L418 HydrophobicContact CB-CG 4.04Å; L412-L418 HydrophobicContact CD1-CD1 3.91Å; L412-L418 HydrophobicContact CG-CD1 4.46Å; L412-L418 PolarHBondContact O-N 2.84Å; L412-L418 VanDerWaalsContact O-N 3.12Å; L413-L418 HydrophobicContact CD2-CB 3.78Å; L413-L418 HydrophobicContact CG-CB 4.36Å; G416-L418 VanDerWaalsContact C-N 3.3Å; L418-E422 VanDerWaalsContact CA-OE2 3.32Å; L418-E422 WeakPolarHBondContact CA-OE2 3.47Å; L418-E422 WeakPolarHBondContact CD2-OE2 3.5Å; L418-L423 HydrophobicContact CD1-CD1 4.47Å; L418-L423 HydrophobicContact CD1-CD2 4.22Å; L418-L423 HydrophobicContact CD1-CG 4.45Å |
| 419 | A | 91.7 | Very high | 91.8 | Very high | 43 Ų | 43 | 32.2 Ų | 32.2 | 36% | 0.355 | 18% | 0.184 | S | C | . | . | trans | -98.9 | 150.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G421 E422 | A419-G421 PolarHBondContact O-N 3.43Å; A419-E422 HydrophobicContact CB-CG 4.29Å; A419-E422 PolarHBondContact N-OE2 3.41Å; A419-E422 WeakPolarHBondContact O-CB 3.4Å; A419-E422 PolarHBondContact O-N 3.01Å | ||
| 420 | V | 92.1 | Very high | 91.3 | Very high | 38 Ų | 38 | 35.2 Ų | 35.2 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -30.1 | -180 | -64.5 | 0 | 0 | 0 | 0 | 113.5 | F341 L413 E422 L423 D424 | F341-V420 HydrophobicContact CD1-CB 3.71Å; F341-V420 HydrophobicContact CD1-CG1 4.03Å; F341-V420 HydrophobicContact CE1-CB 3.71Å; F341-V420 HydrophobicContact CE1-CG1 4.28Å; F341-V420 WeakPolarHBondContact CE1-O 3.26Å; F341-V420 HydrophobicContact CG-CB 4.45Å; F341-V420 HydrophobicContact CG-CG1 4.29Å; F341-V420 HydrophobicContact CZ-CB 4.44Å; L413-V420 HydrophobicContact CD2-CG1 4.18Å; V420-E422 VanDerWaalsContact C-N 3.27Å; V420-E422 PolarHBondContact O-N 3.38Å; V420-L423 PolarHBondContact O-N 3.16Å; V420-D424 PolarHBondContact O-N 3.04Å |
| 421 | G | 89.8 | Confident | 90.5 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 27% | 0.268 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -73.1 | -16.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A419 D424 | A419-G421 PolarHBondContact O-N 3.43Å; G421-D424 CarbonylContact O-C 3.6Å; G421-D424 VanDerWaalsContact O-C 3.31Å |
| 422 | E | 90.8 | Very high | 89.7 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.8 | -33.9 | 175.1 | -69 | 164.1 | 174 | 0 | 0 | 110.6 | M59 K63 L418 A419 V420 | M59-E422 HydrophobicContact CE-CB 3.65Å; M59-E422 HydrophobicContact CE-CG 4.31Å; M59-E422 WeakPolarHBondContact CE-O 3.24Å; M59-E422 HydrophobicContact SD-CB 4.36Å; K63-E422 WeakPolarHBondContact CD-OE1 3.1Å; K63-E422 WeakPolarHBondContact CE-OE1 3.4Å; K63-E422 IonicContact NZ-OE1 3.59Å; K63-E422 PolarHBondContact NZ-OE1 3.1Å; K63-E422 IonicContact NZ-OE2 3.4Å; L418-E422 VanDerWaalsContact CA-OE2 3.32Å; L418-E422 WeakPolarHBondContact CA-OE2 3.47Å; L418-E422 WeakPolarHBondContact CD2-OE2 3.5Å; A419-E422 HydrophobicContact CB-CG 4.29Å; A419-E422 PolarHBondContact N-OE2 3.41Å; A419-E422 WeakPolarHBondContact O-CB 3.4Å; A419-E422 PolarHBondContact O-N 3.01Å; V420-E422 VanDerWaalsContact C-N 3.27Å; V420-E422 PolarHBondContact O-N 3.38Å |
| 423 | L | 91.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -82.7 | -12.7 | 174.6 | -65.1 | 177.9 | 0 | 0 | 0 | 113.8 | W55 F265 F341 L409 L413 L418 V420 | W55-L423 HydrophobicContact CE3-CD2 4.24Å; W55-L423 HydrophobicContact CH2-CD2 4.47Å; W55-L423 HydrophobicContact CZ3-CD2 3.96Å; F265-L423 HydrophobicContact CE2-CB 4.19Å; F341-L423 HydrophobicContact CZ-CB 4.21Å; L409-L423 HydrophobicContact CD2-CD1 4.28Å; L409-L423 HydrophobicContact CD2-CD2 3.97Å; L413-L423 HydrophobicContact CD1-CD1 3.86Å; L413-L423 HydrophobicContact CD2-CD1 4.08Å; L413-L423 HydrophobicContact CG-CD1 4.1Å; L418-L423 HydrophobicContact CD1-CD1 4.47Å; L418-L423 HydrophobicContact CD1-CD2 4.22Å; L418-L423 HydrophobicContact CD1-CG 4.45Å; V420-L423 PolarHBondContact O-N 3.16Å |
| 424 | D | 92.8 | Very high | 88 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -136.1 | 67 | 177.1 | 175.7 | 38.5 | 0 | 0 | 0 | 110.6 | Q147 F341 V420 G421 L426 N427 R428 R429 | Q147-D424 PolarHBondContact NE2-OD1 2.83Å; F341-D424 HydrophobicContact CE1-CB 4.23Å; V420-D424 PolarHBondContact O-N 3.04Å; G421-D424 CarbonylContact O-C 3.6Å; G421-D424 VanDerWaalsContact O-C 3.31Å; D424-L426 PolarHBondContact O-N 3.17Å; D424-N427 PolarHBondContact O-N 2.94Å; D424-N427 PolarHBondContact OD1-N 2.99Å; D424-N427 VanDerWaalsContact OD2-C 3.27Å; D424-N427 WeakPolarHBondContact OD2-CA 3.37Å; D424-R428 VanDerWaalsContact CG-N 3.33Å; D424-R428 WeakPolarHBondContact OD1-CB 3.43Å; D424-R428 PolarHBondContact OD1-N 3.04Å; D424-R428 PolarHBondContact OD2-N 3.43Å; D424-R429 PolarHBondContact O-NH1 3.2Å; D424-R429 VanDerWaalsContact O-NH1 3.12Å; D424-R429 WeakPolarHBondContact OD2-CB 3.5Å; D424-R429 WeakPolarHBondContact OD2-CG 3.33Å; D424-R429 IonicContact OD2-CZ 3.8Å; D424-R429 PolarHBondContact OD2-N 2.81Å; D424-R429 IonicContact OD2-NH1 2.66Å; D424-R429 PolarHBondContact OD2-NH1 3.33Å | ||
| 425 | P | 91.4 | Very high | 86.9 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 23% | 0.234 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.5 | 178 | 22.4 | -34.7 | 0 | 0 | 0 | 113.3 | Q147 A150 N427 | Q147-P425 HydrophobicContact CB-CG 4.49Å; Q147-P425 WeakPolarHBondContact O-CG 3.39Å; Q147-P425 VanDerWaalsContact OE1-CG 3.24Å; A150-P425 HydrophobicContact CB-CB 4.1Å; A150-P425 HydrophobicContact CB-CG 3.91Å; P425-N427 PolarHBondContact O-N 2.9Å; P425-N427 PolarHBondContact O-ND2 2.96Å |
| 426 | L | 90.5 | Very high | 86 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.5 | 175.8 | -61.5 | 177.1 | 0 | 0 | 0 | 113.5 | A146 Q147 A150 A211 D424 R428 | A146-L426 HydrophobicContact CB-CD1 3.95Å; Q147-L426 HydrophobicContact CG-CD1 4.49Å; A150-L426 HydrophobicContact CB-CD2 3.71Å; A150-L426 HydrophobicContact CB-CG 4.07Å; A211-L426 HydrophobicContact CB-CD1 3.78Å; D424-L426 PolarHBondContact O-N 3.17Å; L426-R428 HydrophobicContact CB-CG 4.11Å; L426-R428 PolarHBondContact O-N 3.17Å |
| 427 | N | 91.1 | Very high | 85.4 | Confident | 75 Ų | 75 | 59 Ų | 59 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | trans | 54.7 | 32.4 | 177.6 | -63 | -64.1 | 0 | 0 | 0 | 115 | D424 P425 R429 L430 | D424-N427 PolarHBondContact O-N 2.94Å; D424-N427 PolarHBondContact OD1-N 2.99Å; D424-N427 VanDerWaalsContact OD2-C 3.27Å; D424-N427 WeakPolarHBondContact OD2-CA 3.37Å; P425-N427 PolarHBondContact O-N 2.9Å; P425-N427 PolarHBondContact O-ND2 2.96Å; N427-R429 PolarHBondContact O-N 3.13Å; N427-R429 PolarHBondContact OD1-NH1 3.24Å; N427-R429 VanDerWaalsContact OD1-NH1 3.11Å; N427-R429 PolarHBondContact OD1-NH2 3.45Å; N427-L430 HydrophobicContact CB-CD1 3.95Å; N427-L430 HydrophobicContact CB-CG 4.28Å; N427-L430 WeakPolarHBondContact O-CB 3.49Å; N427-L430 PolarHBondContact O-N 3.12Å; N427-L430 VanDerWaalsContact O-N 3.08Å | ||
| 428 | R | 89.5 | Confident | 85.2 | Confident | 26 Ų | 26 | 59.4 Ų | 59.4 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -60.2 | -32 | 179.9 | -62.2 | -175 | 58.1 | 65.2 | 19.7 | 112.5 | A207 E210 A267 F268 D424 L426 L430 G431 | A207-R428 VanDerWaalsContact CA-NH2 3.28Å; A207-R428 PolarHBondContact O-NH1 2.87Å; E210-R428 IonicContact OE2-CZ 2.88Å; E210-R428 IonicContact OE2-NH1 2.73Å; E210-R428 PolarHBondContact OE2-NH1 2.87Å; E210-R428 IonicContact OE2-NH2 3.26Å; E210-R428 PolarHBondContact OE2-NH2 2.97Å; A267-R428 PolarHBondContact O-NE 3.41Å; A267-R428 PolarHBondContact O-NH2 2.78Å; A267-R428 VanDerWaalsContact O-NH2 3.09Å; F268-R428 HydrophobicContact CB-CB 4.15Å; F268-R428 HydrophobicContact CD2-CB 4.18Å; D424-R428 VanDerWaalsContact CG-N 3.33Å; D424-R428 WeakPolarHBondContact OD1-CB 3.43Å; D424-R428 PolarHBondContact OD1-N 3.04Å; D424-R428 PolarHBondContact OD2-N 3.43Å; L426-R428 HydrophobicContact CB-CG 4.11Å; L426-R428 PolarHBondContact O-N 3.17Å; R428-L430 PolarHBondContact O-N 3.42Å; R428-G431 PolarHBondContact O-N 2.78Å |
| 429 | R | 88.7 | Confident | 85.2 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -57 | -21.3 | 176.3 | 74.4 | -171.8 | 175.2 | -73.5 | -5.8 | 114 | F268 F341 D424 N427 G431 | F268-R429 HydrophobicContact CD1-CB 4.02Å; F268-R429 HydrophobicContact CD2-CB 4.36Å; F268-R429 HydrophobicContact CE1-CB 3.94Å; F268-R429 HydrophobicContact CE2-CB 4.29Å; F268-R429 HydrophobicContact CG-CB 4.22Å; F268-R429 HydrophobicContact CZ-CB 4.08Å; F341-R429 HydrophobicContact CD1-CB 4.36Å; D424-R429 PolarHBondContact O-NH1 3.2Å; D424-R429 VanDerWaalsContact O-NH1 3.12Å; D424-R429 WeakPolarHBondContact OD2-CB 3.5Å; D424-R429 WeakPolarHBondContact OD2-CG 3.33Å; D424-R429 IonicContact OD2-CZ 3.8Å; D424-R429 PolarHBondContact OD2-N 2.81Å; D424-R429 IonicContact OD2-NH1 2.66Å; D424-R429 PolarHBondContact OD2-NH1 3.33Å; N427-R429 PolarHBondContact O-N 3.13Å; N427-R429 PolarHBondContact OD1-NH1 3.24Å; N427-R429 VanDerWaalsContact OD1-NH1 3.11Å; N427-R429 PolarHBondContact OD1-NH2 3.45Å; R429-G431 VanDerWaalsContact C-N 3.27Å |
| 430 | L | 85.9 | Confident | 85.3 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -84.1 | -1.1 | 179.2 | -52.3 | -178.3 | 0 | 0 | 0 | 112.6 | N427 R428 A432 Q433 | N427-L430 HydrophobicContact CB-CD1 3.95Å; N427-L430 HydrophobicContact CB-CG 4.28Å; N427-L430 WeakPolarHBondContact O-CB 3.49Å; N427-L430 PolarHBondContact O-N 3.12Å; N427-L430 VanDerWaalsContact O-N 3.08Å; R428-L430 PolarHBondContact O-N 3.42Å; L430-A432 PolarHBondContact O-N 3.23Å; L430-Q433 WeakPolarHBondContact O-CB 3.39Å; L430-Q433 PolarHBondContact O-N 2.87Å |
| 431 | G | 78.3 | Confident | 85.5 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -36.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | R428 R429 Q433 | R428-G431 PolarHBondContact O-N 2.78Å; R429-G431 VanDerWaalsContact C-N 3.27Å; G431-Q433 VanDerWaalsContact C-N 3.31Å; G431-Q433 PolarHBondContact O-N 3.09Å |
| 432 | A | 77.7 | Confident | 85.8 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D271 I276 L430 | D271-A432 WeakPolarHBondContact O-CA 3.38Å; I276-A432 HydrophobicContact CD1-CB 4.25Å; L430-A432 PolarHBondContact O-N 3.23Å |
| 433 | Q | 80.1 | Confident | 85.9 | Confident | 123 Ų | 123 | 52.5 Ų | 52.5 | 58% | 0.575 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -74.2 | 145.7 | 177.7 | -64.7 | -171.5 | -13 | 0 | 0 | 111.2 | L430 G431 K435 | L430-Q433 WeakPolarHBondContact O-CB 3.39Å; L430-Q433 PolarHBondContact O-N 2.87Å; G431-Q433 VanDerWaalsContact C-N 3.31Å; G431-Q433 PolarHBondContact O-N 3.09Å; Q433-K435 PolarHBondContact O-N 3.11Å |
| 434 | K | 69.4 | Low | 86 | Confident | 216 Ų | 216 | 52.8 Ų | 52.8 | 94% | 0.939 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 118.6 | 175.6 | -72.7 | -172.7 | 179.1 | -177.6 | 0 | 109.9 | ||
| 435 | K | 69.5 | Low | 85.9 | Confident | 88 Ų | 88 | 52.8 Ų | 52.8 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -94 | 159.4 | 176.4 | -72.8 | -175.9 | 178.4 | -176.9 | 0 | 111.1 | Q433 R555 H556 | Q433-K435 PolarHBondContact O-N 3.11Å; K435-R555 HydrophobicContact CD-CB 4.18Å; K435-R555 WeakPolarHBondContact CD-O 3.04Å; K435-R555 PolarHBondContact NZ-O 2.72Å; K435-H556 PolarHBondContact NZ-ND1 3.26Å |
| 436 | P | 71.8 | Confident | 85.9 | Confident | 117 Ų | 117 | 51.1 Ų | 51.1 | 76% | 0.76 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 155.7 | 178.7 | 26.4 | -35.3 | 0 | 0 | 0 | 112.2 | V438 | P436-V438 PolarHBondContact O-N 2.95Š|
| 437 | D | 77.6 | Confident | 85.8 | Confident | 141 Ų | 141 | 49.7 Ų | 49.7 | 75% | 0.754 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 129 | 179.6 | -68.7 | -25.4 | 0 | 0 | 0 | 111.9 | ||
| 438 | V | 87.6 | Confident | 85.6 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 15% | 0.145 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 125.5 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | P436 W554 P561 | P436-V438 PolarHBondContact O-N 2.95Å; V438-W554 HydrophobicContact CG1-CB 3.94Å; V438-W554 HydrophobicContact CG1-CG 4.42Å; V438-W554 HydrophobicContact CG2-CB 4.29Å; V438-P561 HydrophobicContact CG1-CG 3.78Å |
| 439 | V | 91.6 | Very high | 85.6 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -100.2 | 118.6 | 170.6 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | R597 M599 | V439-R597 HydrophobicContact CG1-CG 4.35Å; V439-R597 HydrophobicContact CG2-CG 4.05Å; V439-M599 HydrophobicContact CG1-CB 4.04Å |
| 440 | V | 94.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.8 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | L547 L550 T551 P561 I563 T596 R597 V598 M599 | V440-L547 HydrophobicContact CB-CD2 4.33Å; V440-L547 HydrophobicContact CG1-CD2 3.62Å; V440-L550 HydrophobicContact CG1-CB 4.48Å; V440-L550 HydrophobicContact CG1-CD1 3.92Å; V440-L550 HydrophobicContact CG2-CB 3.94Å; V440-T551 VanDerWaalsContact CG2-OG1 3.29Å; V440-T551 WeakPolarHBondContact CG2-OG1 3.43Å; V440-P561 HydrophobicContact CB-CG 4.38Å; V440-P561 HydrophobicContact CG1-CG 4.33Å; V440-P561 HydrophobicContact CG2-CG 4.04Å; V440-I563 HydrophobicContact CG1-CG2 4.11Å; V440-T596 HydrophobicContact CG2-CG2 4.19Å; V440-R597 PolarHBondContact N-O 3.29Å; V440-V598 HydrophobicContact CB-CG1 4.43Å; V440-V598 CarbonylContact O-C 3.55Å; V440-V598 VanDerWaalsContact O-CA 3.24Å; V440-V598 WeakPolarHBondContact O-CA 3.49Å; V440-M599 PolarHBondContact O-N 2.85Å |
| 441 | Q | 95.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.5 | 176.9 | -64.7 | 176.4 | -50.9 | 0 | 0 | 108.9 | R560 P561 T562 I563 M599 F606 T609 S610 | Q441-R560 HydrophobicContact CG-CB 4.12Å; Q441-P561 WeakPolarHBondContact CB-O 3.27Å; Q441-P561 PolarHBondContact N-O 3.08Å; Q441-T562 HydrophobicContact CB-CG2 4.36Å; Q441-T562 CarbonylContact O-C 3.58Å; Q441-T562 WeakPolarHBondContact O-CA 3.35Å; Q441-T562 PolarHBondContact OE1-OG1 3.48Å; Q441-I563 WeakPolarHBondContact O-CG2 3.37Å; Q441-I563 PolarHBondContact O-N 3.4Å; Q441-M599 WeakPolarHBondContact CA-O 3.18Å; Q441-F606 HydrophobicContact CB-CD1 4.42Å; Q441-F606 HydrophobicContact CB-CD2 3.73Å; Q441-F606 HydrophobicContact CB-CE1 4.49Å; Q441-F606 HydrophobicContact CB-CE2 3.79Å; Q441-F606 HydrophobicContact CB-CG 4.05Å; Q441-F606 HydrophobicContact CB-CZ 4.17Å; Q441-F606 HydrophobicContact CG-CD1 4.12Å; Q441-F606 HydrophobicContact CG-CD2 4.31Å; Q441-F606 HydrophobicContact CG-CE1 4.24Å; Q441-F606 HydrophobicContact CG-CE2 4.41Å; Q441-F606 HydrophobicContact CG-CG 4.16Å; Q441-F606 HydrophobicContact CG-CZ 4.36Å; Q441-T609 PolarHBondContact NE2-OG1 3.47Å; Q441-S610 PolarHBondContact OE1-OG 2.68Å |
| 442 | V | 95.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 126.5 | -176.6 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | I444 F543 L547 I563 L588 V598 M599 L600 G601 | V442-I444 HydrophobicContact CG1-CG1 4.44Å; V442-F543 HydrophobicContact CG1-CE1 4.14Å; V442-F543 HydrophobicContact CG1-CZ 3.75Å; V442-L547 HydrophobicContact CG2-CD2 3.73Å; V442-I563 HydrophobicContact CB-CG2 4.32Å; V442-I563 HydrophobicContact CG1-CG2 4.32Å; V442-I563 HydrophobicContact CG2-CG2 3.86Å; V442-L588 HydrophobicContact CG1-CD1 4.11Å; V442-L588 HydrophobicContact CG2-CD2 4.45Å; V442-V598 HydrophobicContact CG2-CB 4.36Å; V442-V598 HydrophobicContact CG2-CG1 4.47Å; V442-M599 PolarHBondContact N-O 2.87Å; V442-L600 HydrophobicContact CB-CD1 4.36Å; V442-L600 HydrophobicContact CG1-CD1 4.22Å; V442-L600 WeakPolarHBondContact O-CA 3.44Å; V442-G601 PolarHBondContact O-N 3.34Å; V442-G601 VanDerWaalsContact O-N 3.14Å |
| 443 | V | 94.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.6 | 173.3 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | I445 T562 I563 T564 L565 L603 F606 | V443-I445 HydrophobicContact CG1-CD1 4.19Å; V443-I445 HydrophobicContact CG1-CG1 3.8Å; V443-T562 HydrophobicContact CG2-CG2 4.03Å; V443-I563 PolarHBondContact N-O 3.47Å; V443-T564 CarbonylContact O-C 3.46Å; V443-T564 WeakPolarHBondContact O-CA 3.49Å; V443-L565 PolarHBondContact O-N 3.19Å; V443-L603 HydrophobicContact CB-CG 4.38Å; V443-L603 HydrophobicContact CG1-CD1 4.43Å; V443-L603 HydrophobicContact CG1-CG 3.94Å; V443-L603 HydrophobicContact CG2-CD2 4.15Å; V443-L603 HydrophobicContact CG2-CG 4.02Å; V443-F606 HydrophobicContact CG2-CD2 3.73Å; V443-F606 HydrophobicContact CG2-CE2 3.96Å |
| 444 | I | 93 | Very high | 87.7 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.1 | 171.5 | -55.5 | 174 | 0 | 0 | 0 | 107.5 | V442 V462 L565 A567 M585 L600 | V442-I444 HydrophobicContact CG1-CG1 4.44Å; I444-V462 HydrophobicContact CB-CG1 3.85Å; I444-V462 HydrophobicContact CG2-CG1 3.85Å; I444-V462 WeakPolarHBondContact O-CB 3.24Å; I444-L565 WeakPolarHBondContact CA-O 3.23Å; I444-A567 HydrophobicContact CG2-CB 4.44Å; I444-M585 HydrophobicContact CD1-CB 4.43Å; I444-M585 HydrophobicContact CD1-CE 4.38Å; I444-M585 HydrophobicContact CD1-CG 3.83Å; I444-M585 HydrophobicContact CD1-SD 4.2Å; I444-L600 HydrophobicContact CD1-CD1 3.87Å; I444-L600 HydrophobicContact CG1-CD1 3.98Å |
| 445 | I | 91.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.2 | -177.6 | -55.8 | 179.6 | 0 | 0 | 0 | 108.7 | V443 Q463 I465 V468 V473 T564 L565 M566 A567 L603 | V443-I445 HydrophobicContact CG1-CD1 4.19Å; V443-I445 HydrophobicContact CG1-CG1 3.8Å; I445-Q463 CarbonylContact C-O 3.58Å; I445-Q463 WeakPolarHBondContact CA-O 3.31Å; I445-Q463 WeakPolarHBondContact CG2-O 3.36Å; I445-I465 HydrophobicContact CG2-CG1 3.88Å; I445-V468 HydrophobicContact CD1-CG2 4.19Å; I445-V468 HydrophobicContact CG2-CG2 4.49Å; I445-V473 HydrophobicContact CD1-CG1 4.25Å; I445-V473 HydrophobicContact CD1-CG2 3.66Å; I445-T564 HydrophobicContact CD1-CG2 3.45Å; I445-T564 VanDerWaalsContact CD1-CG2 3.45Å; I445-T564 HydrophobicContact CG1-CG2 4.01Å; I445-L565 PolarHBondContact N-O 3.27Å; I445-M566 CarbonylContact O-C 3.52Å; I445-M566 WeakPolarHBondContact O-CA 3.4Å; I445-A567 PolarHBondContact O-N 3.43Å; I445-L603 HydrophobicContact CD1-CD1 3.8Å |
| 446 | A | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 138.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D448 I451 R452 V462 Q463 T464 I465 | A446-D448 VanDerWaalsContact C-N 3.3Å; A446-D448 WeakPolarHBondContact CB-O 3.44Å; A446-D448 PolarHBondContact O-N 3.38Å; A446-I451 HydrophobicContact CB-CB 4.26Å; A446-I451 HydrophobicContact CB-CG2 4.17Å; A446-R452 HydrophobicContact CB-CB 3.8Å; A446-V462 HydrophobicContact CB-CG2 3.93Å; A446-Q463 PolarHBondContact N-O 3.3Å; A446-T464 WeakPolarHBondContact O-CA 3Å; A446-I465 PolarHBondContact O-N 3.29Å |
| 447 | E | 86.9 | Confident | 90.6 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 15% | 0.145 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -58.4 | -43.4 | 173.6 | -172.5 | -173.2 | 165.3 | 0 | 0 | 111.1 | I451 A567 T568 H569 | E447-I451 HydrophobicContact CB-CD1 3.94Å; E447-A567 WeakPolarHBondContact CB-O 3.46Å; E447-A567 PolarHBondContact N-O 2.93Å; E447-T568 HydrophobicContact CB-CG2 4.48Å; E447-T568 WeakPolarHBondContact OE2-CA 3.31Å; E447-T568 VanDerWaalsContact OE2-CB 3.24Å; E447-T568 WeakPolarHBondContact OE2-CB 3.33Å; E447-H569 IonicContact OE2-CD2 2.81Å; E447-H569 PolarHBondContact OE2-N 3.07Å |
| 448 | D | 88.1 | Confident | 91.1 | Very high | 50 Ų | 50 | 34.7 Ų | 34.7 | 27% | 0.267 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -146.1 | -179.1 | 178.9 | 66 | 21 | 0 | 0 | 0 | 113 | A446 E450 I451 R452 H569 | A446-D448 VanDerWaalsContact C-N 3.3Å; A446-D448 WeakPolarHBondContact CB-O 3.44Å; A446-D448 PolarHBondContact O-N 3.38Å; D448-E450 VanDerWaalsContact C-N 3.27Å; D448-E450 PolarHBondContact O-N 3.14Å; D448-E450 WeakPolarHBondContact OD1-CB 3.2Å; D448-E450 PolarHBondContact OD1-N 2.96Å; D448-I451 PolarHBondContact OD1-N 3.45Å; D448-R452 PolarHBondContact O-N 2.85Å; D448-H569 IonicContact OD1-NE2 3.52Å; D448-H569 IonicContact OD2-CD2 3.57Å; D448-H569 IonicContact OD2-CE1 3.78Å; D448-H569 IonicContact OD2-NE2 3.3Å; D448-H569 PolarHBondContact OD2-NE2 3.17Å |
| 449 | N | 90.1 | Very high | 91 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 47% | 0.471 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.5 | -30.2 | 178.8 | -67.1 | -47.9 | 0 | 0 | 0 | 112.6 | R452 D453 | N449-R452 PolarHBondContact O-N 2.96Å; N449-R452 VanDerWaalsContact OD1-CZ 3.25Å; N449-R452 PolarHBondContact OD1-NH1 3.16Å; N449-R452 PolarHBondContact OD1-NH2 3.34Å; N449-D453 WeakPolarHBondContact O-CB 3.47Å; N449-D453 PolarHBondContact O-N 2.94Å |
| 450 | E | 90.3 | Very high | 90.8 | Very high | 87 Ų | 87 | 37.6 Ų | 37.6 | 41% | 0.407 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.9 | -45.8 | -177.1 | -167.8 | -171.6 | 149.8 | 0 | 0 | 110.8 | D448 D453 K454 H569 | D448-E450 VanDerWaalsContact C-N 3.27Å; D448-E450 PolarHBondContact O-N 3.14Å; D448-E450 WeakPolarHBondContact OD1-CB 3.2Å; D448-E450 PolarHBondContact OD1-N 2.96Å; E450-D453 PolarHBondContact O-N 3.37Å; E450-K454 WeakPolarHBondContact O-CG 3.25Å; E450-K454 PolarHBondContact O-N 2.91Å; E450-K454 VanDerWaalsContact O-N 3.08Å; E450-K454 IonicContact OE1-NZ 2.93Å; E450-K454 PolarHBondContact OE1-NZ 2.9Å; E450-H569 IonicContact OE2-CE1 2.82Å; E450-H569 PolarHBondContact OE2-CE1 3.49Å |
| 451 | I | 89.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 176.4 | -62.7 | 176.2 | 0 | 0 | 0 | 111 | A446 E447 D448 D453 K454 L455 A567 T568 | A446-I451 HydrophobicContact CB-CB 4.26Å; A446-I451 HydrophobicContact CB-CG2 4.17Å; E447-I451 HydrophobicContact CB-CD1 3.94Å; D448-I451 PolarHBondContact OD1-N 3.45Å; I451-D453 VanDerWaalsContact C-N 3.29Å; I451-D453 PolarHBondContact O-N 2.78Å; I451-K454 PolarHBondContact O-N 3.02Å; I451-L455 HydrophobicContact CG2-CD1 3.94Å; I451-L455 HydrophobicContact CG2-CG 4.46Å; I451-L455 WeakPolarHBondContact O-CG 3.42Å; I451-L455 PolarHBondContact O-N 3.44Å; I451-A567 VanDerWaalsContact CD1-O 3.3Å; I451-A567 WeakPolarHBondContact CD1-O 3.39Å; I451-A567 HydrophobicContact CG2-CB 3.75Å; I451-T568 VanDerWaalsContact CD1-CA 3.45Å |
| 452 | R | 91.3 | Very high | 90.4 | Very high | 61 Ų | 61 | 46 Ų | 46 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.6 | -47.1 | 176.1 | -174.5 | -164.3 | 65.2 | -152.7 | -11.9 | 110.7 | A446 D448 N449 L455 A456 V462 T464 E467 | A446-R452 HydrophobicContact CB-CB 3.8Å; D448-R452 PolarHBondContact O-N 2.85Å; N449-R452 PolarHBondContact O-N 2.96Å; N449-R452 VanDerWaalsContact OD1-CZ 3.25Å; N449-R452 PolarHBondContact OD1-NH1 3.16Å; N449-R452 PolarHBondContact OD1-NH2 3.34Å; R452-L455 PolarHBondContact O-N 3.02Å; R452-A456 PolarHBondContact O-N 3.45Å; R452-V462 HydrophobicContact CB-CG2 4.39Å; R452-V462 HydrophobicContact CG-CG2 3.98Å; R452-V462 WeakPolarHBondContact CG-O 3.33Å; R452-T464 HydrophobicContact CB-CG2 4.3Å; R452-E467 IonicContact NH1-OE1 2.87Å; R452-E467 PolarHBondContact NH1-OE1 3.4Å |
| 453 | D | 91.7 | Very high | 90.2 | Very high | 82 Ų | 82 | 48.1 Ų | 48.1 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.8 | -40.1 | -177.4 | -63.3 | -9.5 | 0 | 0 | 0 | 110.6 | N449 E450 I451 L455 A456 E457 | N449-D453 WeakPolarHBondContact O-CB 3.47Å; N449-D453 PolarHBondContact O-N 2.94Å; E450-D453 PolarHBondContact O-N 3.37Å; I451-D453 VanDerWaalsContact C-N 3.29Å; I451-D453 PolarHBondContact O-N 2.78Å; D453-L455 VanDerWaalsContact C-N 3.35Å; D453-L455 PolarHBondContact O-N 3.33Å; D453-A456 WeakPolarHBondContact O-CB 3.48Å; D453-A456 PolarHBondContact O-N 3.08Å; D453-A456 VanDerWaalsContact O-N 3.17Å; D453-E457 PolarHBondContact O-N 2.92Å; D453-E457 VanDerWaalsContact O-N 3.16Å |
| 454 | K | 90.6 | Very high | 90 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 13% | 0.13 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -37.3 | 171.9 | -74.4 | 175.2 | 178.8 | 162.1 | 0 | 113.3 | E450 I451 L572 D575 I577 | E450-K454 WeakPolarHBondContact O-CG 3.25Å; E450-K454 PolarHBondContact O-N 2.91Å; E450-K454 VanDerWaalsContact O-N 3.08Å; E450-K454 IonicContact OE1-NZ 2.93Å; E450-K454 PolarHBondContact OE1-NZ 2.9Å; I451-K454 PolarHBondContact O-N 3.02Å; K454-L572 HydrophobicContact CD-CD1 4.16Å; K454-L572 HydrophobicContact CD-CD2 4.3Å; K454-D575 WeakPolarHBondContact CE-O 3.28Å; K454-D575 PolarHBondContact NZ-O 3.17Å; K454-D575 IonicContact NZ-OD1 2.9Å; K454-D575 PolarHBondContact NZ-OD1 3.08Å; K454-D575 IonicContact NZ-OD2 3.83Å; K454-I577 HydrophobicContact CB-CD1 4.01Å |
| 455 | L | 89.6 | Confident | 89.6 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 174.4 | -76.5 | 165.8 | 0 | 0 | 0 | 111.6 | I451 R452 D453 E457 H458 L460 V462 A567 I577 M585 | I451-L455 HydrophobicContact CG2-CD1 3.94Å; I451-L455 HydrophobicContact CG2-CG 4.46Å; I451-L455 WeakPolarHBondContact O-CG 3.42Å; I451-L455 PolarHBondContact O-N 3.44Å; R452-L455 PolarHBondContact O-N 3.02Å; D453-L455 VanDerWaalsContact C-N 3.35Å; D453-L455 PolarHBondContact O-N 3.33Å; L455-E457 VanDerWaalsContact C-N 3.3Å; L455-E457 PolarHBondContact O-N 3.29Å; L455-H458 PolarHBondContact O-N 2.98Å; L455-L460 CarbonylContact C-O 3.59Å; L455-L460 HydrophobicContact CB-CB 4.31Å; L455-L460 HydrophobicContact CD2-CD1 4.05Å; L455-L460 WeakPolarHBondContact O-CB 3.29Å; L455-L460 PolarHBondContact O-N 3.46Å; L455-V462 HydrophobicContact CB-CG2 4.3Å; L455-V462 HydrophobicContact CD1-CG1 4.29Å; L455-V462 HydrophobicContact CD1-CG2 3.7Å; L455-A567 HydrophobicContact CD1-CB 3.89Å; L455-I577 HydrophobicContact CB-CD1 4.45Å; L455-I577 HydrophobicContact CD2-CD1 3.56Å; L455-I577 HydrophobicContact CG-CD1 3.74Å; L455-M585 HydrophobicContact CD2-CE 4.22Å; L455-M585 HydrophobicContact CD2-SD 3.65Å |
| 456 | A | 91.1 | Very high | 89.1 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R452 D453 H458 D459 L460 | R452-A456 PolarHBondContact O-N 3.45Å; D453-A456 WeakPolarHBondContact O-CB 3.48Å; D453-A456 PolarHBondContact O-N 3.08Å; D453-A456 VanDerWaalsContact O-N 3.17Å; A456-H458 PolarHBondContact O-N 3.33Å; A456-H458 VanDerWaalsContact O-N 3.09Å; A456-D459 PolarHBondContact O-N 2.87Å; A456-L460 PolarHBondContact N-O 3.3Å |
| 457 | E | 90.9 | Very high | 88.8 | Confident | 154 Ų | 154 | 58.9 Ų | 58.9 | 72% | 0.72 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.9 | 171.9 | -67.8 | 179.8 | -171.7 | 0 | 0 | 113.2 | D453 L455 | D453-E457 PolarHBondContact O-N 2.92Å; D453-E457 VanDerWaalsContact O-N 3.16Å; L455-E457 VanDerWaalsContact C-N 3.3Å; L455-E457 PolarHBondContact O-N 3.29Å |
| 458 | H | 87.4 | Confident | 88.7 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 17.6 | 177.5 | -65.7 | -52 | 0 | 0 | 0 | 113.9 | L455 A456 L460 I582 | L455-H458 PolarHBondContact O-N 2.98Å; A456-H458 PolarHBondContact O-N 3.33Å; A456-H458 VanDerWaalsContact O-N 3.09Å; H458-L460 VanDerWaalsContact C-N 3.28Å; H458-L460 HydrophobicContact CB-CD1 4.45Å; H458-L460 PolarHBondContact O-N 3.46Å; H458-I582 VanDerWaalsContact NE2-CD1 3.34Å; H458-I582 WeakPolarHBondContact NE2-CD1 3.32Å |
| 459 | D | 87.4 | Confident | 88.3 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 49% | 0.492 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 34.3 | -178.4 | -175.1 | 30.4 | 0 | 0 | 0 | 112.6 | A456 H461 K589 | A456-D459 PolarHBondContact O-N 2.87Å; D459-H461 IonicContact OD1-CE1 3.51Å; D459-H461 IonicContact OD1-ND1 3.5Å; D459-K589 PolarHBondContact O-NZ 3.04Å; D459-K589 IonicContact OD1-NZ 3.57Å; D459-K589 PolarHBondContact OD1-NZ 2.75Å; D459-K589 IonicContact OD2-NZ 3.68Å; D459-K589 PolarHBondContact OD2-NZ 3Å |
| 460 | L | 86.6 | Confident | 88 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | trans | -114.5 | 102 | 174.3 | -63.6 | 166.9 | 0 | 0 | 0 | 109.4 | L455 A456 H458 M585 L600 | L455-L460 CarbonylContact C-O 3.59Å; L455-L460 HydrophobicContact CB-CB 4.31Å; L455-L460 HydrophobicContact CD2-CD1 4.05Å; L455-L460 WeakPolarHBondContact O-CB 3.29Å; L455-L460 PolarHBondContact O-N 3.46Å; A456-L460 PolarHBondContact N-O 3.3Å; H458-L460 VanDerWaalsContact C-N 3.28Å; H458-L460 HydrophobicContact CB-CD1 4.45Å; H458-L460 PolarHBondContact O-N 3.46Å; L460-M585 HydrophobicContact CD1-CB 3.52Å; L460-M585 HydrophobicContact CD1-CG 4.23Å; L460-M585 HydrophobicContact CD1-SD 3.68Å; L460-M585 HydrophobicContact CD2-CB 4.05Å; L460-M585 HydrophobicContact CG-CB 4.46Å; L460-L600 HydrophobicContact CD2-CD2 4.48Å | ||
| 461 | H | 89.2 | Confident | 87.9 | Confident | 157 Ų | 157 | 56.5 Ų | 56.5 | 73% | 0.727 | 31% | 0.314 | S | S | * | . | trans | -88.5 | 114.9 | 177.9 | -59.5 | 81.7 | 0 | 0 | 0 | 108.8 | D459 | D459-H461 IonicContact OD1-CE1 3.51Å; D459-H461 IonicContact OD1-ND1 3.5Å | ||
| 462 | V | 91 | Very high | 87.8 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | trans | -126.9 | 158.7 | -177.1 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | I444 A446 R452 L455 | I444-V462 HydrophobicContact CB-CG1 3.85Å; I444-V462 HydrophobicContact CG2-CG1 3.85Å; I444-V462 WeakPolarHBondContact O-CB 3.24Å; A446-V462 HydrophobicContact CB-CG2 3.93Å; R452-V462 HydrophobicContact CB-CG2 4.39Å; R452-V462 HydrophobicContact CG-CG2 3.98Å; R452-V462 WeakPolarHBondContact CG-O 3.33Å; L455-V462 HydrophobicContact CB-CG2 4.3Å; L455-V462 HydrophobicContact CD1-CG1 4.29Å; L455-V462 HydrophobicContact CD1-CG2 3.7Å | ||
| 463 | Q | 92.7 | Very high | 87.7 | Confident | 43 Ų | 43 | 56 Ų | 56 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 151.8 | 177.2 | -60.7 | 177.6 | -71.7 | 0 | 0 | 110.9 | I445 A446 E467 V468 | I445-Q463 CarbonylContact C-O 3.58Å; I445-Q463 WeakPolarHBondContact CA-O 3.31Å; I445-Q463 WeakPolarHBondContact CG2-O 3.36Å; A446-Q463 PolarHBondContact N-O 3.3Å; Q463-E467 VanDerWaalsContact CA-OE2 3.28Å; Q463-E467 WeakPolarHBondContact CA-OE2 3.36Å; Q463-E467 HydrophobicContact CB-CB 4.27Å; Q463-V468 HydrophobicContact CB-CG2 3.85Å |
| 464 | T | 89.7 | Confident | 87.5 | Confident | 10 Ų | 10 | 53 Ų | 53 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 161.9 | 165.8 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | A446 R452 A466 E467 V468 | A446-T464 WeakPolarHBondContact O-CA 3Å; R452-T464 HydrophobicContact CB-CG2 4.3Å; T464-A466 PolarHBondContact O-N 3.03Å; T464-E467 PolarHBondContact N-OE2 3.43Å; T464-E467 PolarHBondContact O-N 3.28Å; T464-E467 VanDerWaalsContact OG1-CD 3.31Å; T464-E467 VanDerWaalsContact OG1-CG 3.31Å; T464-E467 WeakPolarHBondContact OG1-CG 3.35Å; T464-E467 PolarHBondContact OG1-N 3.47Å; T464-V468 WeakPolarHBondContact O-CG2 3.42Å; T464-V468 PolarHBondContact O-N 3Å |
| 465 | I | 83.6 | Confident | 87.3 | Confident | 52 Ų | 52 | 52 Ų | 52 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -53.5 | -38.2 | 176.1 | -63.6 | 169.3 | 0 | 0 | 0 | 111.7 | I445 A446 E467 V468 M566 F645 | I445-I465 HydrophobicContact CG2-CG1 3.88Å; A446-I465 PolarHBondContact O-N 3.29Å; I465-E467 PolarHBondContact O-N 2.95Å; I465-V468 PolarHBondContact O-N 3.45Å; I465-M566 HydrophobicContact CD1-SD 4.27Å; I465-F645 HydrophobicContact CD1-CD2 3.58Å; I465-F645 HydrophobicContact CD1-CE2 3.99Å; I465-F645 HydrophobicContact CD1-CG 4.41Å |
| 466 | A | 81.4 | Confident | 87.1 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 70% | 0.702 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -69.5 | -30.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | T464 V468 | T464-A466 PolarHBondContact O-N 3.03Å; A466-V468 VanDerWaalsContact C-N 3.33Å |
| 467 | E | 86.1 | Confident | 86.7 | Confident | 88 Ų | 88 | 54.2 Ų | 54.2 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -79 | -15.8 | -179.5 | -71.6 | 164.2 | -173 | 0 | 0 | 113.3 | R452 Q463 T464 I465 | R452-E467 IonicContact NH1-OE1 2.87Å; R452-E467 PolarHBondContact NH1-OE1 3.4Å; Q463-E467 VanDerWaalsContact CA-OE2 3.28Å; Q463-E467 WeakPolarHBondContact CA-OE2 3.36Å; Q463-E467 HydrophobicContact CB-CB 4.27Å; T464-E467 PolarHBondContact N-OE2 3.43Å; T464-E467 PolarHBondContact O-N 3.28Å; T464-E467 VanDerWaalsContact OG1-CD 3.31Å; T464-E467 VanDerWaalsContact OG1-CG 3.31Å; T464-E467 WeakPolarHBondContact OG1-CG 3.35Å; T464-E467 PolarHBondContact OG1-N 3.47Å; I465-E467 PolarHBondContact O-N 2.95Å |
| 468 | V | 85.6 | Confident | 86.5 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -82.5 | -15.5 | -177.7 | 173.6 | 0 | 0 | 0 | 0 | 112.6 | I445 Q463 T464 I465 A466 I471 V473 L603 | I445-V468 HydrophobicContact CD1-CG2 4.19Å; I445-V468 HydrophobicContact CG2-CG2 4.49Å; Q463-V468 HydrophobicContact CB-CG2 3.85Å; T464-V468 WeakPolarHBondContact O-CG2 3.42Å; T464-V468 PolarHBondContact O-N 3Å; I465-V468 PolarHBondContact O-N 3.45Å; A466-V468 VanDerWaalsContact C-N 3.33Å; V468-I471 HydrophobicContact CG1-CB 3.93Å; V468-I471 HydrophobicContact CG1-CG2 4.35Å; V468-I471 PolarHBondContact O-N 2.88Å; V468-I471 VanDerWaalsContact O-N 3.08Å; V468-V473 HydrophobicContact CG1-CG2 3.95Å; V468-L603 HydrophobicContact CG1-CB 4.35Å; V468-L603 HydrophobicContact CG1-CD1 3.44Å; V468-L603 VanDerWaalsContact CG1-CD1 3.44Å |
| 469 | A | 78.2 | Confident | 86.5 | Confident | 73 Ų | 73 | 44.3 Ų | 44.3 | 60% | 0.603 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 134.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 470 | P | 83.5 | Confident | 86.5 | Confident | 113 Ų | 113 | 40.2 Ų | 40.2 | 73% | 0.734 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -90.8 | 6.6 | 18.4 | 36.9 | -37.9 | 0 | 0 | 0 | 115.8 | ||
| 471 | I | 88.2 | Confident | 86.4 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.8 | 177.3 | -58 | 167.5 | 0 | 0 | 0 | 108.6 | V468 I517 A519 L603 L607 | V468-I471 HydrophobicContact CG1-CB 3.93Å; V468-I471 HydrophobicContact CG1-CG2 4.35Å; V468-I471 PolarHBondContact O-N 2.88Å; V468-I471 VanDerWaalsContact O-N 3.08Å; I471-I517 CarbonylContact C-O 3.53Å; I471-I517 WeakPolarHBondContact CA-O 3.27Å; I471-I517 HydrophobicContact CG1-CB 4.34Å; I471-I517 HydrophobicContact CG1-CG2 4.4Å; I471-I517 HydrophobicContact CG2-CG2 4.23Å; I471-A519 HydrophobicContact CG2-CB 4.17Å; I471-L603 HydrophobicContact CD1-CB 3.81Å; I471-L603 HydrophobicContact CG2-CD1 4.13Å; I471-L607 HydrophobicContact CD1-CD1 3.92Å; I471-L607 HydrophobicContact CG1-CD1 4.41Å |
| 472 | E | 88.3 | Confident | 86.4 | Confident | 40 Ų | 40 | 34.7 Ų | 34.7 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125 | -179.4 | -66.5 | -177.2 | -178.2 | 0 | 0 | 110 | R516 I517 F518 A519 L641 | E472-R516 WeakPolarHBondContact OE1-CD 3.29Å; E472-R516 IonicContact OE1-CZ 3.73Å; E472-R516 IonicContact OE1-NE 2.75Å; E472-R516 IonicContact OE1-NH1 3.79Å; E472-R516 PolarHBondContact OE1-NH1 3.39Å; E472-R516 IonicContact OE2-NH1 3.79Å; E472-I517 PolarHBondContact N-O 3.04Å; E472-F518 HydrophobicContact CB-CD1 3.92Å; E472-F518 HydrophobicContact CB-CE1 3.99Å; E472-F518 CarbonylContact O-C 3.58Å; E472-F518 VanDerWaalsContact O-CA 3.29Å; E472-F518 WeakPolarHBondContact O-CA 3.5Å; E472-F518 WeakPolarHBondContact OE2-CE1 3.28Å; E472-F518 WeakPolarHBondContact OE2-CZ 3.47Å; E472-A519 PolarHBondContact O-N 3.33Å; E472-L641 WeakPolarHBondContact OE2-CD2 3.34Å |
| 473 | V | 88.4 | Confident | 86.3 | Confident | 11 Ų | 11 | 34 Ų | 34 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.7 | 179.4 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | I445 V468 A519 T521 T564 L603 | I445-V473 HydrophobicContact CD1-CG1 4.25Å; I445-V473 HydrophobicContact CD1-CG2 3.66Å; V468-V473 HydrophobicContact CG1-CG2 3.95Å; V473-A519 VanDerWaalsContact CA-O 3.32Å; V473-A519 WeakPolarHBondContact CA-O 3.3Å; V473-A519 HydrophobicContact CG2-CB 4.45Å; V473-T521 HydrophobicContact CG1-CG2 3.98Å; V473-T564 HydrophobicContact CG1-CG2 4.28Å; V473-L603 HydrophobicContact CG2-CD1 3.95Å |
| 474 | Q | 87.5 | Confident | 86.1 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 154.9 | -174.4 | -68.5 | -63.2 | -22.3 | 0 | 0 | 111.6 | V478 F518 A519 F520 T521 | Q474-V478 HydrophobicContact CB-CB 4.28Å; Q474-V478 HydrophobicContact CB-CG1 4.48Å; Q474-V478 HydrophobicContact CB-CG2 4.34Å; Q474-F518 HydrophobicContact CG-CD1 4.21Å; Q474-A519 PolarHBondContact N-O 2.91Å; Q474-F520 HydrophobicContact CB-CD1 3.74Å; Q474-F520 HydrophobicContact CB-CE1 3.63Å; Q474-F520 CarbonylContact O-C 3.06Å; Q474-F520 WeakPolarHBondContact O-CA 3.34Å; Q474-T521 PolarHBondContact O-N 3.36Å |
| 475 | P | 86 | Confident | 86 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 152.6 | 173.5 | 28.2 | -31.6 | 0 | 0 | 0 | 112 | R477 V478 | P475-R477 HydrophobicContact CB-CG 4.06Å; P475-R477 HydrophobicContact CG-CG 3.85Å; P475-R477 PolarHBondContact O-N 2.87Å; P475-V478 HydrophobicContact CG-CG2 4.13Å; P475-V478 WeakPolarHBondContact O-CB 3.32Å; P475-V478 PolarHBondContact O-N 2.99Å |
| 476 | A | 86.3 | Confident | 86.3 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -49.8 | -35 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V478 L479 S480 T507 T521 Q523 | A476-V478 PolarHBondContact O-N 3.29Å; A476-V478 VanDerWaalsContact O-N 3.15Å; A476-L479 WeakPolarHBondContact O-CA 3.3Å; A476-L479 WeakPolarHBondContact O-CB 3.27Å; A476-L479 PolarHBondContact O-N 3.05Å; A476-S480 PolarHBondContact O-N 3.37Å; A476-S480 PolarHBondContact O-OG 2.82Å; A476-T507 HydrophobicContact CB-CG2 3.69Å; A476-T521 WeakPolarHBondContact CB-O 3.41Å; A476-T521 PolarHBondContact N-O 3.33Å; A476-Q523 HydrophobicContact CB-CB 3.97Å |
| 477 | R | 82.7 | Confident | 86.8 | Confident | 86 Ų | 86 | 27.9 Ų | 27.9 | 33% | 0.325 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -55.3 | -30.9 | 177.2 | 66.6 | -168.4 | 177.7 | -154.2 | 14.5 | 114.3 | P475 S480 H481 D526 E528 | P475-R477 HydrophobicContact CB-CG 4.06Å; P475-R477 HydrophobicContact CG-CG 3.85Å; P475-R477 PolarHBondContact O-N 2.87Å; R477-S480 WeakPolarHBondContact O-CB 3.15Å; R477-H481 PolarHBondContact O-N 3.41Å; R477-H481 VanDerWaalsContact O-N 3.1Å; R477-D526 IonicContact CZ-OD2 2.71Å; R477-D526 IonicContact NH1-OD1 3.93Å; R477-D526 IonicContact NH1-OD2 3.86Å; R477-D526 PolarHBondContact NH1-OD2 3.11Å; R477-E528 IonicContact CZ-OE2 3.53Å; R477-E528 VanDerWaalsContact CZ-OE2 3.23Å; R477-E528 IonicContact NH1-OE2 3.71Å; R477-E528 PolarHBondContact NH1-OE2 3.31Å; R477-E528 IonicContact NH2-OE2 2.62Å; R477-E528 PolarHBondContact NH2-OE2 3.11Å |
| 478 | V | 86.4 | Confident | 87 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.5 | -48.8 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 109 | Q474 P475 A476 S480 H481 L482 F520 Y636 L637 H640 | Q474-V478 HydrophobicContact CB-CB 4.28Å; Q474-V478 HydrophobicContact CB-CG1 4.48Å; Q474-V478 HydrophobicContact CB-CG2 4.34Å; P475-V478 HydrophobicContact CG-CG2 4.13Å; P475-V478 WeakPolarHBondContact O-CB 3.32Å; P475-V478 PolarHBondContact O-N 2.99Å; A476-V478 PolarHBondContact O-N 3.29Å; A476-V478 VanDerWaalsContact O-N 3.15Å; V478-S480 VanDerWaalsContact C-N 3.33Å; V478-S480 PolarHBondContact O-N 3.47Å; V478-H481 PolarHBondContact O-N 3.47Å; V478-H481 VanDerWaalsContact O-N 3.17Å; V478-L482 HydrophobicContact CG1-CD1 4.44Å; V478-L482 WeakPolarHBondContact O-CG 3.43Å; V478-L482 PolarHBondContact O-N 2.9Å; V478-F520 HydrophobicContact CB-CE1 4.06Å; V478-F520 HydrophobicContact CG1-CE1 4.11Å; V478-Y636 HydrophobicContact CG1-CE1 4.19Å; V478-L637 HydrophobicContact CG1-CD2 4.35Å; V478-H640 HydrophobicContact CG2-CB 4.44Å |
| 479 | L | 88.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 176 | -174.2 | 57.1 | 0 | 0 | 0 | 111.7 | A476 H481 L482 Y483 V502 Y511 F520 | A476-L479 WeakPolarHBondContact O-CA 3.3Å; A476-L479 WeakPolarHBondContact O-CB 3.27Å; A476-L479 PolarHBondContact O-N 3.05Å; L479-H481 VanDerWaalsContact C-N 3.31Å; L479-H481 PolarHBondContact O-N 3.03Å; L479-L482 PolarHBondContact O-N 2.86Å; L479-Y483 HydrophobicContact CD1-CD2 3.76Å; L479-Y483 HydrophobicContact CD1-CE2 3.48Å; L479-Y483 VanDerWaalsContact CD1-CE2 3.48Å; L479-Y483 HydrophobicContact CD2-CE2 4.45Å; L479-Y483 HydrophobicContact CG-CD2 3.92Å; L479-Y483 HydrophobicContact CG-CE2 3.85Å; L479-Y483 WeakPolarHBondContact O-CD2 3.42Å; L479-Y483 PolarHBondContact O-N 3.18Å; L479-V502 HydrophobicContact CD2-CG1 3.8Å; L479-V502 HydrophobicContact CG-CG1 4.29Å; L479-Y511 HydrophobicContact CD1-CD1 4.29Å; L479-Y511 HydrophobicContact CD1-CD2 4.38Å; L479-Y511 HydrophobicContact CD1-CE1 4.05Å; L479-Y511 HydrophobicContact CD1-CE2 4.16Å; L479-Y511 HydrophobicContact CD1-CG 4.42Å; L479-Y511 HydrophobicContact CD2-CD2 4.34Å; L479-Y511 HydrophobicContact CD2-CE2 3.55Å; L479-F520 HydrophobicContact CB-CD1 3.78Å; L479-F520 HydrophobicContact CB-CD2 4.11Å; L479-F520 HydrophobicContact CB-CE1 3.73Å; L479-F520 HydrophobicContact CB-CE2 4.06Å; L479-F520 HydrophobicContact CB-CG 3.97Å; L479-F520 HydrophobicContact CB-CZ 3.88Å; L479-F520 HydrophobicContact CD1-CD2 4.21Å; L479-F520 HydrophobicContact CD1-CE2 3.69Å; L479-F520 HydrophobicContact CD1-CZ 3.94Å; L479-F520 HydrophobicContact CD2-CB 4.47Å; L479-F520 HydrophobicContact CD2-CD2 3.73Å; L479-F520 HydrophobicContact CD2-CE2 4.1Å; L479-F520 HydrophobicContact CD2-CG 4.05Å; L479-F520 HydrophobicContact CG-CD2 4.24Å; L479-F520 HydrophobicContact CG-CE2 4.17Å; L479-F520 HydrophobicContact CG-CZ 4.4Å |
| 480 | S | 86.1 | Confident | 87.8 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.6 | -47.3 | 174.4 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | A476 R477 V478 Y483 T484 R500 V502 | A476-S480 PolarHBondContact O-N 3.37Å; A476-S480 PolarHBondContact O-OG 2.82Å; R477-S480 WeakPolarHBondContact O-CB 3.15Å; V478-S480 VanDerWaalsContact C-N 3.33Å; V478-S480 PolarHBondContact O-N 3.47Å; S480-Y483 PolarHBondContact O-N 3.5Å; S480-T484 WeakPolarHBondContact O-CG2 3.4Å; S480-R500 WeakPolarHBondContact CB-O 3.36Å; S480-R500 PolarHBondContact OG-O 3.19Å; S480-V502 VanDerWaalsContact OG-CG2 3.26Å; S480-V502 WeakPolarHBondContact OG-CG2 3.43Å |
| 481 | H | 85.9 | Confident | 88.2 | Confident | 47 Ų | 47 | 33.8 Ų | 33.8 | 22% | 0.218 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 178.9 | -177.2 | -106.7 | 0 | 0 | 0 | 112.1 | R477 V478 L479 Y483 T484 Y485 Y636 | R477-H481 PolarHBondContact O-N 3.41Å; R477-H481 VanDerWaalsContact O-N 3.1Å; V478-H481 PolarHBondContact O-N 3.47Å; V478-H481 VanDerWaalsContact O-N 3.17Å; L479-H481 VanDerWaalsContact C-N 3.31Å; L479-H481 PolarHBondContact O-N 3.03Å; H481-Y483 VanDerWaalsContact C-N 3.33Å; H481-Y483 PolarHBondContact O-N 3.08Å; H481-T484 WeakPolarHBondContact O-CB 3.4Å; H481-T484 WeakPolarHBondContact O-CG2 3.37Å; H481-T484 PolarHBondContact O-N 3.2Å; H481-T484 VanDerWaalsContact O-N 3.09Å; H481-T484 PolarHBondContact O-OG1 2.86Å; H481-Y485 AromaticContact CE1-CE2 3.77Å; H481-Y636 HydrophobicContact CB-CE1 3.82Å; H481-Y636 HydrophobicContact CB-CE2 4.43Å; H481-Y636 AromaticContact CE1-CD1 3.85Å; H481-Y636 AromaticContact CE1-CD2 3.46Å; H481-Y636 VanDerWaalsContact CE1-CD2 3.46Å; H481-Y636 WeakPolarHBondContact CE1-CD2 3.43Å; H481-Y636 AromaticContact CE1-CE2 3.77Å; H481-Y636 AromaticContact CE1-CG 3.49Å; H481-Y636 VanDerWaalsContact CE1-CG 3.49Å; H481-Y636 AromaticContact CG-CE1 3.74Å; H481-Y636 AromaticContact CG-CE2 3.85Å; H481-Y636 AromaticContact CG-CZ 3.56Å; H481-Y636 AromaticContact ND1-CD1 3.23Å; H481-Y636 WeakPolarHBondContact ND1-CD1 3.38Å; H481-Y636 AromaticContact ND1-CD2 3.55Å; H481-Y636 AromaticContact ND1-CE1 3.24Å; H481-Y636 WeakPolarHBondContact ND1-CE1 3.42Å; H481-Y636 AromaticContact ND1-CE2 3.55Å; H481-Y636 AromaticContact ND1-CG 3.39Å; H481-Y636 AromaticContact ND1-CZ 3.41Å |
| 482 | L | 88.3 | Confident | 88.4 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 177.4 | -64.8 | 179 | 0 | 0 | 0 | 111.8 | V478 L479 T484 Y485 L615 L618 V633 L637 | V478-L482 HydrophobicContact CG1-CD1 4.44Å; V478-L482 WeakPolarHBondContact O-CG 3.43Å; V478-L482 PolarHBondContact O-N 2.9Å; L479-L482 PolarHBondContact O-N 2.86Å; L482-T484 PolarHBondContact O-N 3.5Å; L482-T484 VanDerWaalsContact O-N 3.16Å; L482-Y485 PolarHBondContact O-N 3.41Å; L482-Y485 VanDerWaalsContact O-N 3.15Å; L482-L615 HydrophobicContact CD1-CD1 4.05Å; L482-L618 HydrophobicContact CB-CD1 4.24Å; L482-L618 HydrophobicContact CB-CD2 4.35Å; L482-L618 HydrophobicContact CD1-CD1 4.26Å; L482-L618 HydrophobicContact CD2-CD1 3.97Å; L482-L618 HydrophobicContact CG-CD1 4.37Å; L482-L618 WeakPolarHBondContact O-CD2 3.48Å; L482-V633 HydrophobicContact CD2-CG1 3.8Å; L482-L637 HydrophobicContact CD1-CD2 4.48Å; L482-L637 HydrophobicContact CD2-CD2 4.25Å; L482-L637 HydrophobicContact CD2-CG 4.44Å |
| 483 | Y | 89.2 | Confident | 88.6 | Confident | 8 Ų | 8 | 35 Ų | 35 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.9 | -16.8 | 177.4 | -88.8 | -77.6 | 0 | 0 | 0 | 114.2 | L231 L479 S480 H481 Y485 L486 R497 Y511 L615 F617 | L231-Y483 HydrophobicContact CD2-CD1 4.08Å; L231-Y483 HydrophobicContact CD2-CD2 4.27Å; L231-Y483 HydrophobicContact CD2-CE1 3.62Å; L231-Y483 HydrophobicContact CD2-CE2 3.81Å; L231-Y483 HydrophobicContact CD2-CG 4.39Å; L231-Y483 VanDerWaalsContact CD2-CZ 3.46Å; L479-Y483 HydrophobicContact CD1-CD2 3.76Å; L479-Y483 HydrophobicContact CD1-CE2 3.48Å; L479-Y483 VanDerWaalsContact CD1-CE2 3.48Å; L479-Y483 HydrophobicContact CD2-CE2 4.45Å; L479-Y483 HydrophobicContact CG-CD2 3.92Å; L479-Y483 HydrophobicContact CG-CE2 3.85Å; L479-Y483 WeakPolarHBondContact O-CD2 3.42Å; L479-Y483 PolarHBondContact O-N 3.18Å; S480-Y483 PolarHBondContact O-N 3.5Å; H481-Y483 VanDerWaalsContact C-N 3.33Å; H481-Y483 PolarHBondContact O-N 3.08Å; Y483-Y485 PolarHBondContact O-N 3.45Å; Y483-L486 HydrophobicContact CD1-CD2 3.93Å; Y483-L486 HydrophobicContact CE1-CD2 4.22Å; Y483-L486 VanDerWaalsContact O-CB 3.26Å; Y483-L486 WeakPolarHBondContact O-CB 3.5Å; Y483-L486 PolarHBondContact O-N 3.43Å; Y483-L486 VanDerWaalsContact O-N 3.13Å; Y483-R497 WeakPolarHBondContact O-CB 3.32Å; Y483-Y511 HydrophobicContact CE2-CE1 4.22Å; Y483-Y511 WeakPolarHBondContact OH-CE1 3.42Å; Y483-L615 HydrophobicContact CE2-CD2 4.47Å; Y483-F617 HydrophobicContact CD1-CE1 4.48Å; Y483-F617 AromaticContact CD1-CZ 3.94Å; Y483-F617 HydrophobicContact CD1-CZ 3.94Å; Y483-F617 HydrophobicContact CE1-CE1 4.12Å; Y483-F617 HydrophobicContact CE1-CZ 4.02Å; Y483-F617 HydrophobicContact CG-CZ 4.42Å |
| 484 | T | 88.6 | Confident | 88.9 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.6 | 174.6 | 73.1 | 0 | 0 | 0 | 0 | 113.7 | S480 H481 L482 R488 R497 | S480-T484 WeakPolarHBondContact O-CG2 3.4Å; H481-T484 WeakPolarHBondContact O-CB 3.4Å; H481-T484 WeakPolarHBondContact O-CG2 3.37Å; H481-T484 PolarHBondContact O-N 3.2Å; H481-T484 VanDerWaalsContact O-N 3.09Å; H481-T484 PolarHBondContact O-OG1 2.86Å; L482-T484 PolarHBondContact O-N 3.5Å; L482-T484 VanDerWaalsContact O-N 3.16Å; T484-R488 PolarHBondContact O-NE 3.47Å; T484-R488 PolarHBondContact O-NH2 2.64Å; T484-R488 VanDerWaalsContact O-NH2 3.15Å; T484-R488 PolarHBondContact OG1-NH2 2.82Å; T484-R497 WeakPolarHBondContact CA-O 3.14Å |
| 485 | Y | 87.9 | Confident | 89.1 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 11% | 0.11 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -17.4 | 174.8 | -68 | -95.3 | 0 | 0 | 0 | 112.5 | H481 L482 Y483 G487 R488 L618 D632 V633 | H481-Y485 AromaticContact CE1-CE2 3.77Å; L482-Y485 PolarHBondContact O-N 3.41Å; L482-Y485 VanDerWaalsContact O-N 3.15Å; Y483-Y485 PolarHBondContact O-N 3.45Å; Y485-G487 PolarHBondContact O-N 3.34Å; Y485-R488 VanDerWaalsContact CD1-NH1 3.26Å; Y485-R488 PolarHBondContact O-N 3.34Å; Y485-L618 HydrophobicContact CD2-CD2 4.49Å; Y485-L618 HydrophobicContact CG-CD2 4.39Å; Y485-D632 HydrophobicContact CE1-CB 4.36Å; Y485-D632 WeakPolarHBondContact OH-CB 3.19Å; Y485-V633 HydrophobicContact CD1-CG2 3.71Å; Y485-V633 HydrophobicContact CD2-CG2 3.74Å; Y485-V633 HydrophobicContact CE1-CG2 3.58Å; Y485-V633 HydrophobicContact CE2-CG2 3.63Å; Y485-V633 HydrophobicContact CG-CG2 3.79Å |
| 486 | L | 90.4 | Very high | 89.2 | Confident | 9 Ų | 9 | 35.1 Ų | 35.1 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 128.7 | 179.6 | -177.2 | 66.3 | 0 | 0 | 0 | 110.8 | Q166 F170 H229 Y483 R488 G496 R497 F617 | Q166-L486 HydrophobicContact CG-CD1 4.31Å; Q166-L486 HydrophobicContact CG-CG 4.03Å; F170-L486 HydrophobicContact CE1-CD2 4.13Å; F170-L486 WeakPolarHBondContact CE2-O 3.35Å; F170-L486 HydrophobicContact CZ-CB 4.26Å; F170-L486 HydrophobicContact CZ-CD2 3.82Å; F170-L486 HydrophobicContact CZ-CG 3.87Å; H229-L486 HydrophobicContact CB-CD1 4.17Å; H229-L486 HydrophobicContact CB-CD2 3.82Å; Y483-L486 HydrophobicContact CD1-CD2 3.93Å; Y483-L486 HydrophobicContact CE1-CD2 4.22Å; Y483-L486 VanDerWaalsContact O-CB 3.26Å; Y483-L486 WeakPolarHBondContact O-CB 3.5Å; Y483-L486 PolarHBondContact O-N 3.43Å; Y483-L486 VanDerWaalsContact O-N 3.13Å; L486-R488 VanDerWaalsContact C-N 3.31Å; L486-R488 PolarHBondContact O-N 3.29Å; L486-G496 CarbonylContact O-C 3.52Å; L486-G496 WeakPolarHBondContact O-CA 3.11Å; L486-R497 PolarHBondContact O-N 3.32Å; L486-F617 HydrophobicContact CB-CD2 4Å; L486-F617 HydrophobicContact CB-CE2 3.79Å; L486-F617 HydrophobicContact CB-CZ 4.32Å; L486-F617 HydrophobicContact CD1-CB 4.03Å; L486-F617 HydrophobicContact CD1-CD1 4Å; L486-F617 HydrophobicContact CD1-CD2 3.79Å; L486-F617 HydrophobicContact CD1-CE1 4.4Å; L486-F617 HydrophobicContact CD1-CE2 4.23Å; L486-F617 HydrophobicContact CD1-CG 3.67Å; L486-F617 HydrophobicContact CG-CD2 4.5Å |
| 487 | G | 89.9 | Confident | 89.3 | Confident | 11 Ų | 11 | 35.2 Ų | 35.2 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 12.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N167 Y485 | N167-G487 PolarHBondContact ND2-O 3.29Å; Y485-G487 PolarHBondContact O-N 3.34Å |
| 488 | R | 90.8 | Very high | 89.1 | Confident | 93 Ų | 93 | 34.9 Ų | 34.9 | 35% | 0.351 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 133.8 | 170.7 | -77.5 | -176.2 | -173 | -178 | 11.7 | 110.2 | T484 Y485 L486 L494 S495 | T484-R488 PolarHBondContact O-NE 3.47Å; T484-R488 PolarHBondContact O-NH2 2.64Å; T484-R488 VanDerWaalsContact O-NH2 3.15Å; T484-R488 PolarHBondContact OG1-NH2 2.82Å; Y485-R488 VanDerWaalsContact CD1-NH1 3.26Å; Y485-R488 PolarHBondContact O-N 3.34Å; L486-R488 VanDerWaalsContact C-N 3.31Å; L486-R488 PolarHBondContact O-N 3.29Å; R488-L494 WeakPolarHBondContact CA-O 3.25Å; R488-S495 VanDerWaalsContact CG-C 3.48Å; R488-S495 WeakPolarHBondContact CG-O 3.36Å; R488-S495 PolarHBondContact NE-O 3.11Å |
| 489 | N | 91.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 111.7 | 172.2 | -171.7 | -61.5 | 0 | 0 | 0 | 111.3 | D160 K491 L492 G493 L494 E622 | D160-N489 PolarHBondContact OD1-ND2 3.4Å; N489-K491 WeakPolarHBondContact OD1-CB 3.46Å; N489-K491 PolarHBondContact OD1-N 2.92Å; N489-L492 HydrophobicContact CB-CB 4.24Å; N489-L492 PolarHBondContact O-N 2.66Å; N489-L492 PolarHBondContact OD1-N 3.16Å; N489-G493 PolarHBondContact O-N 2.94Å; N489-L494 HydrophobicContact CB-CB 4.28Å; N489-L494 HydrophobicContact CB-CD1 4.43Å; N489-L494 PolarHBondContact N-O 3.01Å; N489-L494 PolarHBondContact O-N 3.37Å; N489-E622 WeakPolarHBondContact CA-OE1 3.48Å |
| 490 | R | 89.9 | Confident | 87.4 | Confident | 162 Ų | 162 | 45.3 Ų | 45.3 | 61% | 0.611 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -35 | -175.9 | -70.5 | 177.2 | -178.9 | 163.2 | 5.9 | 112.4 | L492 G493 E622 D623 H630 | R490-L492 VanDerWaalsContact C-N 3.33Å; R490-L492 PolarHBondContact O-N 2.96Å; R490-G493 PolarHBondContact O-N 2.99Å; R490-E622 WeakPolarHBondContact CG-OE2 3.4Å; R490-E622 PolarHBondContact N-OE1 3.2Å; R490-D623 IonicContact NH1-OD1 3.44Å; R490-H630 PolarHBondContact NH2-NE2 3.16Å |
| 491 | K | 90.7 | Very high | 86.6 | Confident | 147 Ų | 147 | 48.1 Ų | 48.1 | 64% | 0.639 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -36 | 179.8 | -58.3 | 178.6 | -166 | 158.2 | 0 | 112 | D160 N489 | D160-K491 IonicContact OD1-NZ 3.58Å; D160-K491 IonicContact OD2-NZ 2.93Å; D160-K491 PolarHBondContact OD2-NZ 3.02Å; D160-K491 VanDerWaalsContact OD2-NZ 3.1Å; N489-K491 WeakPolarHBondContact OD1-CB 3.46Å; N489-K491 PolarHBondContact OD1-N 2.92Å |
| 492 | L | 92.1 | Very high | 86.4 | Confident | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -13 | 178.9 | -64 | -177.4 | 0 | 0 | 0 | 113.1 | M93 K96 D160 F164 N489 R490 L494 | M93-L492 HydrophobicContact CE-CD1 4.26Å; M93-L492 HydrophobicContact CE-CD2 4.44Å; K96-L492 HydrophobicContact CD-CB 4.24Å; K96-L492 HydrophobicContact CD-CD2 4.06Å; K96-L492 VanDerWaalsContact CD-O 3.28Å; K96-L492 WeakPolarHBondContact CD-O 3.4Å; K96-L492 WeakPolarHBondContact CE-O 3.38Å; K96-L492 PolarHBondContact NZ-O 2.87Å; D160-L492 HydrophobicContact CB-CD1 4.31Å; D160-L492 WeakPolarHBondContact O-CD1 3.18Å; F164-L492 HydrophobicContact CB-CD1 4.13Å; N489-L492 HydrophobicContact CB-CB 4.24Å; N489-L492 PolarHBondContact O-N 2.66Å; N489-L492 PolarHBondContact OD1-N 3.16Å; R490-L492 VanDerWaalsContact C-N 3.33Å; R490-L492 PolarHBondContact O-N 2.96Å; L492-L494 VanDerWaalsContact C-N 3.33Å; L492-L494 HydrophobicContact CB-CD1 3.79Å; L492-L494 HydrophobicContact CB-CG 3.83Å; L492-L494 HydrophobicContact CD1-CD1 3.9Å |
| 493 | G | 93.6 | Very high | 86.2 | Confident | 51 Ų | 51 | 46.3 Ų | 46.3 | 53% | 0.526 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 19.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N489 R490 | N489-G493 PolarHBondContact O-N 2.94Å; R490-G493 PolarHBondContact O-N 2.99Å |
| 494 | L | 93.8 | Very high | 86.2 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.1 | -176.1 | -61.1 | 171.6 | 0 | 0 | 0 | 110.1 | E100 F164 N167 R488 N489 L492 G496 | E100-L494 HydrophobicContact CB-CD2 4.45Å; F164-L494 HydrophobicContact CD2-CD1 4.29Å; N167-L494 HydrophobicContact CB-CD1 4.36Å; N167-L494 HydrophobicContact CB-CD2 4.48Å; R488-L494 WeakPolarHBondContact CA-O 3.25Å; N489-L494 HydrophobicContact CB-CB 4.28Å; N489-L494 HydrophobicContact CB-CD1 4.43Å; N489-L494 PolarHBondContact N-O 3.01Å; N489-L494 PolarHBondContact O-N 3.37Å; L492-L494 VanDerWaalsContact C-N 3.33Å; L492-L494 HydrophobicContact CB-CD1 3.79Å; L492-L494 HydrophobicContact CB-CG 3.83Å; L492-L494 HydrophobicContact CD1-CD1 3.9Å; L494-G496 VanDerWaalsContact C-N 3.32Å; L494-G496 PolarHBondContact O-N 2.79Å |
| 495 | S | 91.7 | Very high | 86.2 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 1.4 | -176.6 | 95.2 | 0 | 0 | 0 | 0 | 114.4 | E100 R488 K498 | E100-S495 WeakPolarHBondContact OE1-CB 3.32Å; E100-S495 PolarHBondContact OE1-OG 3.28Å; E100-S495 VanDerWaalsContact OE1-OG 3.12Å; E100-S495 PolarHBondContact OE2-N 3.16Å; R488-S495 VanDerWaalsContact CG-C 3.48Å; R488-S495 WeakPolarHBondContact CG-O 3.36Å; R488-S495 PolarHBondContact NE-O 3.11Å; S495-K498 WeakPolarHBondContact OG-CD 3.43Å; S495-K498 WeakPolarHBondContact OG-CE 3.16Å; S495-K498 PolarHBondContact OG-NZ 3.33Å |
| 496 | G | 89.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | 74 | -158.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K103 L486 L494 | K103-G496 PolarHBondContact NZ-O 2.8Å; L486-G496 CarbonylContact O-C 3.52Å; L486-G496 WeakPolarHBondContact O-CA 3.11Å; L494-G496 VanDerWaalsContact C-N 3.32Å; L494-G496 PolarHBondContact O-N 2.79Å | ||
| 497 | R | 88.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | trans | -67.3 | 131.2 | -177.7 | -165.7 | 175 | 180 | -121 | -4 | 111.7 | F170 E173 L231 E234 Y483 T484 L486 S499 D501 | F170-R497 HydrophobicContact CD1-CB 4.41Å; F170-R497 HydrophobicContact CD1-CG 4.18Å; F170-R497 HydrophobicContact CD2-CB 4.37Å; F170-R497 HydrophobicContact CE1-CB 3.93Å; F170-R497 HydrophobicContact CE1-CG 3.96Å; F170-R497 HydrophobicContact CE2-CB 3.89Å; F170-R497 HydrophobicContact CZ-CB 3.65Å; F170-R497 HydrophobicContact CZ-CG 4.22Å; E173-R497 IonicContact OE2-NE 3.74Å; L231-R497 VanDerWaalsContact CD1-NH1 3.31Å; L231-R497 VanDerWaalsContact CD1-NH2 3.25Å; E234-R497 IonicContact OE1-NH2 3.05Å; Y483-R497 WeakPolarHBondContact O-CB 3.32Å; T484-R497 WeakPolarHBondContact CA-O 3.14Å; L486-R497 PolarHBondContact O-N 3.32Å; R497-S499 PolarHBondContact NH1-O 3.16Å; R497-D501 PolarHBondContact NH1-O 3.24Å; R497-D501 PolarHBondContact NH2-O 2.8Å | ||
| 498 | K | 78.6 | Confident | 86.7 | Confident | 79 Ų | 79 | 43.7 Ų | 43.7 | 34% | 0.343 | 21% | 0.21 | S | C | . | . | trans | -94.9 | -34.5 | 178.1 | -63 | -69.9 | -159.5 | -170.9 | 0 | 113 | E100 K103 M104 S495 R500 | E100-K498 WeakPolarHBondContact OE1-CE 3.21Å; E100-K498 IonicContact OE1-NZ 2.88Å; E100-K498 PolarHBondContact OE1-NZ 3.34Å; E100-K498 VanDerWaalsContact OE1-NZ 3.12Å; K103-K498 HydrophobicContact CB-CG 4.34Å; M104-K498 HydrophobicContact SD-CB 3.88Å; M104-K498 HydrophobicContact SD-CD 3.75Å; M104-K498 HydrophobicContact SD-CG 3.6Å; M104-K498 VanDerWaalsContact SD-CG 3.6Å; S495-K498 WeakPolarHBondContact OG-CD 3.43Å; S495-K498 WeakPolarHBondContact OG-CE 3.16Å; S495-K498 PolarHBondContact OG-NZ 3.33Å; K498-R500 PolarHBondContact O-N 3.11Å | ||
| 499 | S | 69.6 | Low | 86.8 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 26% | 0.259 | 20% | 0.196 | S | C | . | . | trans | -63.5 | 132.2 | 179.9 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | R497 D501 | R497-S499 PolarHBondContact NH1-O 3.16Å; S499-D501 PolarHBondContact OG-N 2.68Å | ||
| 500 | R | 68.3 | Low | 86.9 | Confident | 183 Ų | 183 | 39.8 Ų | 39.8 | 69% | 0.691 | 20% | 0.195 | S | C | * | . | trans | -101.4 | 4.6 | 177.1 | -63.2 | -175.3 | 179.9 | -171.2 | -0.5 | 112.5 | S480 K498 | S480-R500 WeakPolarHBondContact CB-O 3.36Å; S480-R500 PolarHBondContact OG-O 3.19Å; K498-R500 PolarHBondContact O-N 3.11Å | ||
| 501 | D | 70.7 | Confident | 87 | Confident | 66 Ų | 66 | 32.1 Ų | 32.1 | 35% | 0.353 | 17% | 0.166 | S | C | . | . | trans | -90.3 | 135.3 | -178.7 | -63.1 | -23.9 | 0 | 0 | 0 | 110.5 | R497 S499 | R497-D501 PolarHBondContact NH1-O 3.24Å; R497-D501 PolarHBondContact NH2-O 2.8Å; S499-D501 PolarHBondContact OG-N 2.68Å | ||
| 502 | V | 80.9 | Confident | 87 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | trans | -135.9 | 115.2 | 177.4 | -179 | 0 | 0 | 0 | 0 | 107.7 | L231 L479 S480 T507 Q523 | L231-V502 HydrophobicContact CD1-CG2 4.17Å; L479-V502 HydrophobicContact CD2-CG1 3.8Å; L479-V502 HydrophobicContact CG-CG1 4.29Å; S480-V502 VanDerWaalsContact OG-CG2 3.26Å; S480-V502 WeakPolarHBondContact OG-CG2 3.43Å; V502-T507 HydrophobicContact CG1-CG2 4.16Å; V502-Q523 PolarHBondContact O-OE1 2.66Å | ||
| 503 | G | 84.3 | Confident | 86.7 | Confident | 9 Ų | 9 | 25.9 Ų | 25.9 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | trans | -83 | -173.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D233 L505 S506 T507 | D233-G503 VanDerWaalsContact CG-CA 3.41Å; D233-G503 VanDerWaalsContact OD1-C 3.22Å; D233-G503 WeakPolarHBondContact OD1-CA 3.35Å; D233-G503 PolarHBondContact OD2-N 3.12Å; G503-L505 VanDerWaalsContact C-N 3.27Å; G503-L505 PolarHBondContact O-N 2.84Å; G503-S506 PolarHBondContact O-N 2.86Å; G503-T507 PolarHBondContact O-N 3.5Å; G503-T507 VanDerWaalsContact O-N 3.07Å; G503-T507 PolarHBondContact O-OG1 2.84Å | ||
| 504 | I | 88.3 | Confident | 86.2 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.5 | -28.5 | -177.3 | -168.1 | 65.9 | 0 | 0 | 0 | 112.4 | D233 T507 S508 P522 N546 F549 L550 I563 | D233-I504 PolarHBondContact OD1-N 2.97Å; I504-T507 WeakPolarHBondContact CA-OG1 3.48Å; I504-T507 PolarHBondContact O-OG1 3.03Å; I504-S508 VanDerWaalsContact O-CB 3.26Å; I504-S508 WeakPolarHBondContact O-CB 3.49Å; I504-S508 PolarHBondContact O-N 2.85Å; I504-S508 VanDerWaalsContact O-N 3.1Å; I504-S508 PolarHBondContact O-OG 3.01Å; I504-P522 HydrophobicContact CD1-CB 3.66Å; I504-P522 HydrophobicContact CD1-CG 3.58Å; I504-N546 HydrophobicContact CD1-CB 4.41Å; I504-N546 HydrophobicContact CG1-CB 4.33Å; I504-F549 HydrophobicContact CG2-CD1 3.34Å; I504-F549 HydrophobicContact CG2-CE1 3.27Å; I504-F549 HydrophobicContact CG2-CG 4.42Å; I504-F549 HydrophobicContact CG2-CZ 4.31Å; I504-L550 HydrophobicContact CG1-CD1 4.26Å; I504-L550 HydrophobicContact CG1-CD2 4.2Å; I504-L550 HydrophobicContact CG1-CG 4.21Å; I504-I563 HydrophobicContact CD1-CD1 3.84Å; I504-I563 HydrophobicContact CD1-CG1 4.39Å |
| 505 | L | 90 | Very high | 85.5 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.4 | -41.6 | 179.2 | -62 | 179.1 | 0 | 0 | 0 | 110.9 | A232 D233 H236 G503 F549 L550 N553 W554 M557 | A232-L505 HydrophobicContact CB-CB 4.04Å; A232-L505 HydrophobicContact CB-CD1 4.12Å; D233-L505 WeakPolarHBondContact OD1-CB 3.4Å; D233-L505 PolarHBondContact OD1-N 3.09Å; H236-L505 HydrophobicContact CB-CD1 3.83Å; G503-L505 VanDerWaalsContact C-N 3.27Å; G503-L505 PolarHBondContact O-N 2.84Å; L505-F549 HydrophobicContact CD1-CE1 4.44Å; L505-F549 HydrophobicContact CD2-CD1 4.4Å; L505-F549 HydrophobicContact CD2-CE1 3.72Å; L505-F549 HydrophobicContact CG-CE1 3.88Å; L505-L550 HydrophobicContact CD2-CD2 4.02Å; L505-N553 HydrophobicContact CD2-CB 4.27Å; L505-W554 HydrophobicContact CB-CZ3 4.37Å; L505-W554 HydrophobicContact CD2-CE3 3.86Å; L505-W554 HydrophobicContact CD2-CZ3 4.18Å; L505-W554 VanDerWaalsContact O-CH2 3.27Å; L505-W554 WeakPolarHBondContact O-CH2 3.33Å; L505-W554 WeakPolarHBondContact O-CZ3 3.27Å; L505-M557 HydrophobicContact CB-CE 4.2Å; L505-M557 HydrophobicContact CD1-CE 4.5Å; L505-M557 HydrophobicContact CD2-CE 4.07Å; L505-M557 HydrophobicContact CG-CE 4.49Å |
| 506 | S | 90.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.7 | -43.2 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 112 | D233 G503 S508 K509 Y511 | D233-S506 VanDerWaalsContact OD2-CB 3.25Å; D233-S506 WeakPolarHBondContact OD2-CB 3.44Å; D233-S506 PolarHBondContact OD2-N 2.76Å; D233-S506 PolarHBondContact OD2-OG 3.46Å; G503-S506 PolarHBondContact O-N 2.86Å; S506-S508 PolarHBondContact O-N 2.89Å; S506-K509 PolarHBondContact O-N 2.89Å; S506-Y511 WeakPolarHBondContact O-CE2 3.34Å; S506-Y511 PolarHBondContact O-OH 2.81Å |
| 507 | T | 92.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.6 | -19.6 | 178.7 | 50.2 | 0 | 0 | 0 | 0 | 114 | A476 V502 G503 I504 K509 F520 | A476-T507 HydrophobicContact CB-CG2 3.69Å; V502-T507 HydrophobicContact CG1-CG2 4.16Å; G503-T507 PolarHBondContact O-N 3.5Å; G503-T507 VanDerWaalsContact O-N 3.07Å; G503-T507 PolarHBondContact O-OG1 2.84Å; I504-T507 WeakPolarHBondContact CA-OG1 3.48Å; I504-T507 PolarHBondContact O-OG1 3.03Å; T507-K509 PolarHBondContact O-N 2.88Å; T507-F520 HydrophobicContact CG2-CB 4.33Å |
| 508 | S | 94.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 15 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 114.1 | I504 S506 L550 W554 T562 | I504-S508 VanDerWaalsContact O-CB 3.26Å; I504-S508 WeakPolarHBondContact O-CB 3.49Å; I504-S508 PolarHBondContact O-N 2.85Å; I504-S508 VanDerWaalsContact O-N 3.1Å; I504-S508 PolarHBondContact O-OG 3.01Å; S506-S508 PolarHBondContact O-N 2.89Å; S508-L550 WeakPolarHBondContact OG-CD1 3.44Å; S508-L550 WeakPolarHBondContact OG-CD2 3.06Å; S508-W554 WeakPolarHBondContact O-CH2 3.49Å; S508-T562 CarbonylContact C-O 3.59Å; S508-T562 VanDerWaalsContact CA-O 3.25Å; S508-T562 WeakPolarHBondContact CA-O 3.45Å; S508-T562 PolarHBondContact O-N 3.05Å |
| 509 | K | 93.3 | Very high | 86.2 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 6% | 0.057 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -105.9 | 155.6 | 171.5 | -58 | -177.3 | -178.4 | -175.3 | 0 | 110.3 | S506 T507 Y511 W554 M557 A611 T613 | S506-K509 PolarHBondContact O-N 2.89Å; T507-K509 PolarHBondContact O-N 2.88Å; K509-Y511 HydrophobicContact CB-CD2 4.48Å; K509-Y511 HydrophobicContact CB-CE2 3.89Å; K509-W554 HydrophobicContact CG-CH2 3.63Å; K509-W554 HydrophobicContact CG-CZ2 4.07Å; K509-M557 WeakPolarHBondContact CE-SD 2.92Å; K509-A611 HydrophobicContact CG-CB 4.31Å; K509-T613 WeakPolarHBondContact CD-OG1 3.49Å |
| 510 | L | 93.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 147.9 | 162.9 | -59.1 | -177.1 | 0 | 0 | 0 | 109.3 | I517 F518 A519 L603 A611 I612 T613 | L510-I517 HydrophobicContact CB-CG2 4.22Å; L510-I517 HydrophobicContact CD1-CG2 4.46Å; L510-F518 WeakPolarHBondContact CA-O 3.33Å; L510-A519 HydrophobicContact CD2-CB 3.73Å; L510-L603 HydrophobicContact CD2-CD2 3.94Å; L510-A611 PolarHBondContact N-O 2.71Å; L510-I612 HydrophobicContact CB-CG1 4.21Å; L510-I612 CarbonylContact O-C 3.6Å; L510-I612 VanDerWaalsContact O-CA 3.27Å; L510-I612 WeakPolarHBondContact O-CA 3.34Å; L510-T613 PolarHBondContact O-N 2.96Å |
| 511 | Y | 92.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.6 | -178.2 | -71.2 | -92.2 | 0 | 0 | 0 | 111.1 | L479 Y483 S506 K509 I517 F518 F520 T613 L615 | L479-Y511 HydrophobicContact CD1-CD1 4.29Å; L479-Y511 HydrophobicContact CD1-CD2 4.38Å; L479-Y511 HydrophobicContact CD1-CE1 4.05Å; L479-Y511 HydrophobicContact CD1-CE2 4.16Å; L479-Y511 HydrophobicContact CD1-CG 4.42Å; L479-Y511 HydrophobicContact CD2-CD2 4.34Å; L479-Y511 HydrophobicContact CD2-CE2 3.55Å; Y483-Y511 HydrophobicContact CE2-CE1 4.22Å; Y483-Y511 WeakPolarHBondContact OH-CE1 3.42Å; S506-Y511 WeakPolarHBondContact O-CE2 3.34Å; S506-Y511 PolarHBondContact O-OH 2.81Å; K509-Y511 HydrophobicContact CB-CD2 4.48Å; K509-Y511 HydrophobicContact CB-CE2 3.89Å; Y511-I517 CarbonylContact O-C 3.6Å; Y511-I517 WeakPolarHBondContact O-CA 3.47Å; Y511-F518 PolarHBondContact N-O 3.43Å; Y511-F518 PolarHBondContact O-N 3.33Å; Y511-F520 AromaticContact CD2-CD2 3.51Å; Y511-F520 HydrophobicContact CD2-CD2 3.51Å; Y511-F520 AromaticContact CD2-CE2 3.49Å; Y511-F520 HydrophobicContact CD2-CE2 3.49Å; Y511-F520 VanDerWaalsContact CD2-CE2 3.49Å; Y511-F520 AromaticContact CE2-CD2 3.88Å; Y511-F520 HydrophobicContact CE2-CD2 3.88Å; Y511-F520 HydrophobicContact CE2-CE2 4.16Å; Y511-F520 HydrophobicContact CG-CD2 4.38Å; Y511-F520 AromaticContact CG-CE2 3.91Å; Y511-F520 HydrophobicContact CG-CE2 3.91Å; Y511-T613 CarbonylContact C-O 3.55Å; Y511-T613 VanDerWaalsContact CA-O 3.23Å; Y511-T613 WeakPolarHBondContact CA-O 3.38Å; Y511-T613 HydrophobicContact CD1-CG2 4.36Å; Y511-T613 HydrophobicContact CE1-CG2 4.12Å; Y511-L615 HydrophobicContact CD1-CD1 4.04Å; Y511-L615 HydrophobicContact CD1-CD2 3.61Å; Y511-L615 HydrophobicContact CD1-CG 3.74Å; Y511-L615 HydrophobicContact CE1-CD2 4.05Å; Y511-L615 HydrophobicContact CG-CD1 4.25Å; Y511-L615 HydrophobicContact CG-CG 4.36Å |
| 512 | S | 91.1 | Very high | 89.1 | Confident | 33 Ų | 33 | 25.4 Ų | 25.4 | 23% | 0.231 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.1 | 172.3 | -169 | 0 | 0 | 0 | 0 | 109.4 | T613 L615 | S512-T613 PolarHBondContact N-O 3.26Å; S512-L615 PolarHBondContact O-N 3.38Å |
| 513 | L | 86.6 | Confident | 88.9 | Confident | 9 Ų | 9 | 26.4 Ų | 26.4 | 5% | 0.047 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 105 | 170.2 | 179.9 | 64.3 | 0 | 0 | 0 | 108 | D515 R516 F518 L615 L618 L629 L637 | L513-D515 PolarHBondContact O-N 3.07Å; L513-R516 PolarHBondContact N-O 3.27Å; L513-R516 PolarHBondContact O-N 2.58Å; L513-R516 VanDerWaalsContact O-N 3.14Å; L513-F518 HydrophobicContact CB-CD2 4.16Å; L513-F518 HydrophobicContact CB-CE2 3.83Å; L513-F518 HydrophobicContact CD2-CE2 4.18Å; L513-L615 HydrophobicContact CB-CB 4.36Å; L513-L615 HydrophobicContact CD1-CB 3.95Å; L513-L618 HydrophobicContact CD1-CB 4.36Å; L513-L618 HydrophobicContact CD1-CD1 3.97Å; L513-L618 HydrophobicContact CD2-CD1 4.14Å; L513-L629 HydrophobicContact CD1-CD2 3.83Å; L513-L629 HydrophobicContact CD2-CD1 4.4Å; L513-L629 HydrophobicContact CG-CD2 4.44Å; L513-L637 HydrophobicContact CD2-CD1 3.85Å |
| 514 | K | 81.2 | Confident | 88.3 | Confident | 113 Ų | 113 | 27.3 Ų | 27.3 | 49% | 0.491 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | -125.6 | -170.1 | -56.4 | -179.5 | 166.4 | -169.5 | 0 | 110.4 | R516 D627 L629 | K514-R516 VanDerWaalsContact C-N 3.31Å; K514-D627 WeakPolarHBondContact CE-O 3.32Å; K514-D627 PolarHBondContact NZ-O 2.68Å; K514-L629 HydrophobicContact CD-CG 4.48Å |
| 515 | D | 80.9 | Confident | 87.7 | Confident | 170 Ų | 170 | 27.9 Ų | 27.9 | 91% | 0.909 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 9.4 | -179.9 | -56.1 | -47.7 | 0 | 0 | 0 | 113.3 | L513 | L513-D515 PolarHBondContact O-N 3.07Š|
| 516 | R | 86.4 | Confident | 86.9 | Confident | 119 Ų | 119 | 28.6 Ų | 28.6 | 45% | 0.449 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 145.8 | -177.4 | -60.8 | -172.6 | -174.1 | -172.9 | 10.6 | 111.4 | E472 L513 K514 F518 | E472-R516 WeakPolarHBondContact OE1-CD 3.29Å; E472-R516 IonicContact OE1-CZ 3.73Å; E472-R516 IonicContact OE1-NE 2.75Å; E472-R516 IonicContact OE1-NH1 3.79Å; E472-R516 PolarHBondContact OE1-NH1 3.39Å; E472-R516 IonicContact OE2-NH1 3.79Å; L513-R516 PolarHBondContact N-O 3.27Å; L513-R516 PolarHBondContact O-N 2.58Å; L513-R516 VanDerWaalsContact O-N 3.14Å; K514-R516 VanDerWaalsContact C-N 3.31Å; R516-F518 HydrophobicContact CB-CD2 4.49Å; R516-F518 HydrophobicContact CB-CE2 3.77Å; R516-F518 HydrophobicContact CB-CZ 4.39Å |
| 517 | I | 91.3 | Very high | 86.1 | Confident | 36 Ų | 36 | 30.1 Ų | 30.1 | 19% | 0.185 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.8 | 176.1 | -61.5 | 172.8 | 0 | 0 | 0 | 108.3 | I471 E472 L510 Y511 L607 | I471-I517 CarbonylContact C-O 3.53Å; I471-I517 WeakPolarHBondContact CA-O 3.27Å; I471-I517 HydrophobicContact CG1-CB 4.34Å; I471-I517 HydrophobicContact CG1-CG2 4.4Å; I471-I517 HydrophobicContact CG2-CG2 4.23Å; E472-I517 PolarHBondContact N-O 3.04Å; L510-I517 HydrophobicContact CB-CG2 4.22Å; L510-I517 HydrophobicContact CD1-CG2 4.46Å; Y511-I517 CarbonylContact O-C 3.6Å; Y511-I517 WeakPolarHBondContact O-CA 3.47Å; I517-L607 HydrophobicContact CD1-CD1 3.53Å; I517-L607 HydrophobicContact CD1-CG 4.2Å |
| 518 | F | 92.4 | Very high | 85 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.3 | 179.5 | -67.3 | -99 | 0 | 0 | 0 | 110.2 | E472 Q474 L510 Y511 L513 R516 F520 | E472-F518 HydrophobicContact CB-CD1 3.92Å; E472-F518 HydrophobicContact CB-CE1 3.99Å; E472-F518 CarbonylContact O-C 3.58Å; E472-F518 VanDerWaalsContact O-CA 3.29Å; E472-F518 WeakPolarHBondContact O-CA 3.5Å; E472-F518 WeakPolarHBondContact OE2-CE1 3.28Å; E472-F518 WeakPolarHBondContact OE2-CZ 3.47Å; Q474-F518 HydrophobicContact CG-CD1 4.21Å; L510-F518 WeakPolarHBondContact CA-O 3.33Å; Y511-F518 PolarHBondContact N-O 3.43Å; Y511-F518 PolarHBondContact O-N 3.33Å; L513-F518 HydrophobicContact CB-CD2 4.16Å; L513-F518 HydrophobicContact CB-CE2 3.83Å; L513-F518 HydrophobicContact CD2-CE2 4.18Å; R516-F518 HydrophobicContact CB-CD2 4.49Å; R516-F518 HydrophobicContact CB-CE2 3.77Å; R516-F518 HydrophobicContact CB-CZ 4.39Å; F518-F520 HydrophobicContact CB-CE2 3.71Å; F518-F520 HydrophobicContact CB-CZ 3.84Å; F518-F520 HydrophobicContact CD1-CZ 4.35Å; F518-F520 HydrophobicContact CG-CZ 4.36Å |
| 519 | A | 92.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 134.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | I471 E472 V473 Q474 L510 L603 | I471-A519 HydrophobicContact CG2-CB 4.17Å; E472-A519 PolarHBondContact O-N 3.33Å; V473-A519 VanDerWaalsContact CA-O 3.32Å; V473-A519 WeakPolarHBondContact CA-O 3.3Å; V473-A519 HydrophobicContact CG2-CB 4.45Å; Q474-A519 PolarHBondContact N-O 2.91Å; L510-A519 HydrophobicContact CD2-CB 3.73Å; A519-L603 HydrophobicContact CB-CD1 4.15Å; A519-L603 HydrophobicContact CB-CD2 4.01Å |
| 520 | F | 91.9 | Very high | 83 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.8 | -179 | -64.3 | -82.4 | 0 | 0 | 0 | 111.9 | Q474 V478 L479 T507 Y511 F518 | Q474-F520 HydrophobicContact CB-CD1 3.74Å; Q474-F520 HydrophobicContact CB-CE1 3.63Å; Q474-F520 CarbonylContact O-C 3.06Å; Q474-F520 WeakPolarHBondContact O-CA 3.34Å; V478-F520 HydrophobicContact CB-CE1 4.06Å; V478-F520 HydrophobicContact CG1-CE1 4.11Å; L479-F520 HydrophobicContact CB-CD1 3.78Å; L479-F520 HydrophobicContact CB-CD2 4.11Å; L479-F520 HydrophobicContact CB-CE1 3.73Å; L479-F520 HydrophobicContact CB-CE2 4.06Å; L479-F520 HydrophobicContact CB-CG 3.97Å; L479-F520 HydrophobicContact CB-CZ 3.88Å; L479-F520 HydrophobicContact CD1-CD2 4.21Å; L479-F520 HydrophobicContact CD1-CE2 3.69Å; L479-F520 HydrophobicContact CD1-CZ 3.94Å; L479-F520 HydrophobicContact CD2-CB 4.47Å; L479-F520 HydrophobicContact CD2-CD2 3.73Å; L479-F520 HydrophobicContact CD2-CE2 4.1Å; L479-F520 HydrophobicContact CD2-CG 4.05Å; L479-F520 HydrophobicContact CG-CD2 4.24Å; L479-F520 HydrophobicContact CG-CE2 4.17Å; L479-F520 HydrophobicContact CG-CZ 4.4Å; T507-F520 HydrophobicContact CG2-CB 4.33Å; Y511-F520 AromaticContact CD2-CD2 3.51Å; Y511-F520 HydrophobicContact CD2-CD2 3.51Å; Y511-F520 AromaticContact CD2-CE2 3.49Å; Y511-F520 HydrophobicContact CD2-CE2 3.49Å; Y511-F520 VanDerWaalsContact CD2-CE2 3.49Å; Y511-F520 AromaticContact CE2-CD2 3.88Å; Y511-F520 HydrophobicContact CE2-CD2 3.88Å; Y511-F520 HydrophobicContact CE2-CE2 4.16Å; Y511-F520 HydrophobicContact CG-CD2 4.38Å; Y511-F520 AromaticContact CG-CE2 3.91Å; Y511-F520 HydrophobicContact CG-CE2 3.91Å; F518-F520 HydrophobicContact CB-CE2 3.71Å; F518-F520 HydrophobicContact CB-CZ 3.84Å; F518-F520 HydrophobicContact CD1-CZ 4.35Å; F518-F520 HydrophobicContact CG-CZ 4.36Å |
| 521 | T | 89.6 | Confident | 82.4 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 139 | 171.2 | 61.9 | 0 | 0 | 0 | 0 | 109.6 | V473 Q474 A476 T564 M566 | V473-T521 HydrophobicContact CG1-CG2 3.98Å; Q474-T521 PolarHBondContact O-N 3.36Å; A476-T521 WeakPolarHBondContact CB-O 3.41Å; A476-T521 PolarHBondContact N-O 3.33Å; T521-T564 HydrophobicContact CG2-CG2 4.32Å; T521-M566 HydrophobicContact CG2-CB 4.35Å |
| 522 | P | 87.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | trans | -51.9 | 143.7 | 175.3 | -28 | 33.3 | 0 | 0 | 0 | 113.5 | I504 H524 I525 I563 T564 | I504-P522 HydrophobicContact CD1-CB 3.66Å; I504-P522 HydrophobicContact CD1-CG 3.58Å; P522-H524 PolarHBondContact O-N 2.66Å; P522-I525 HydrophobicContact CB-CD1 3.93Å; P522-I525 HydrophobicContact CB-CG1 4.4Å; P522-I525 HydrophobicContact CG-CD1 3.87Å; P522-I525 PolarHBondContact O-N 3.22Å; P522-I563 HydrophobicContact CG-CD1 3.94Å; P522-I563 HydrophobicContact CG-CG1 3.67Å; P522-T564 WeakPolarHBondContact CD-O 3.34Å | ||
| 523 | Q | 77.9 | Confident | 80.9 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -57.4 | -35.3 | 179.9 | -172.9 | 167.1 | 5.2 | 0 | 0 | 112.8 | A476 V502 I525 D526 Y530 | A476-Q523 HydrophobicContact CB-CB 3.97Å; V502-Q523 PolarHBondContact O-OE1 2.66Å; Q523-I525 PolarHBondContact O-N 3.47Å; Q523-D526 WeakPolarHBondContact O-CB 3.25Å; Q523-D526 PolarHBondContact O-N 3.29Å; Q523-Y530 HydrophobicContact CG-CE2 3.77Å; Q523-Y530 PolarHBondContact NE2-OH 2.82Å; Q523-Y530 WeakPolarHBondContact O-CE2 3.3Å |
| 524 | H | 71.1 | Confident | 80.6 | Confident | 28 Ų | 28 | 38 Ų | 38 | 13% | 0.13 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -71.9 | 7.8 | -177.6 | -56.1 | 75 | 0 | 0 | 0 | 114.9 | P522 T533 E844 D845 | P522-H524 PolarHBondContact O-N 2.66Å; H524-T533 WeakPolarHBondContact O-CG2 3.34Å; H524-E844 VanDerWaalsContact C-OE1 3.29Å; H524-E844 VanDerWaalsContact CA-CD 3.42Å; H524-E844 WeakPolarHBondContact CA-OE1 3.13Å; H524-E844 WeakPolarHBondContact CA-OE2 3.28Å; H524-E844 VanDerWaalsContact CB-OE2 3.23Å; H524-E844 WeakPolarHBondContact CB-OE2 3.45Å; H524-E844 IonicContact CD2-OE2 2.8Å; H524-E844 PolarHBondContact CD2-OE2 2.96Å; H524-E844 IonicContact CG-OE2 3.82Å; H524-D845 IonicContact CE1-OD2 3.72Å; H524-D845 IonicContact NE2-OD2 2.66Å; H524-D845 PolarHBondContact NE2-OD2 3.3Å |
| 525 | I | 75.1 | Confident | 80.8 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -117.6 | -3.9 | 179 | -57.7 | 165.8 | 0 | 0 | 0 | 109.4 | P522 Q523 Y527 L539 L565 | P522-I525 HydrophobicContact CB-CD1 3.93Å; P522-I525 HydrophobicContact CB-CG1 4.4Å; P522-I525 HydrophobicContact CG-CD1 3.87Å; P522-I525 PolarHBondContact O-N 3.22Å; Q523-I525 PolarHBondContact O-N 3.47Å; I525-Y527 PolarHBondContact O-N 3.37Å; I525-Y527 VanDerWaalsContact O-N 3.09Å; I525-L539 HydrophobicContact CG1-CD1 4.19Å; I525-L565 HydrophobicContact CD1-CD1 3.73Å; I525-L565 HydrophobicContact CG1-CD1 4.41Å; I525-L565 HydrophobicContact CG2-CD1 4.19Å |
| 526 | D | 74.3 | Confident | 81 | Confident | 18 Ų | 18 | 25.3 Ų | 25.3 | 10% | 0.096 | 12% | 0.115 | C | C | . | . | trans | -77.5 | 94.3 | 178.1 | -164.9 | -19.3 | 0 | 0 | 0 | 111.2 | R477 Q523 E528 E529 Y530 | R477-D526 IonicContact CZ-OD2 2.71Å; R477-D526 IonicContact NH1-OD1 3.93Å; R477-D526 IonicContact NH1-OD2 3.86Å; R477-D526 PolarHBondContact NH1-OD2 3.11Å; Q523-D526 WeakPolarHBondContact O-CB 3.25Å; Q523-D526 PolarHBondContact O-N 3.29Å; D526-E528 PolarHBondContact O-N 3.13Å; D526-E528 WeakPolarHBondContact OD1-CB 3.14Å; D526-E528 PolarHBondContact OD1-N 3.03Å; D526-E529 PolarHBondContact O-N 3.5Å; D526-Y530 HydrophobicContact CB-CD2 4.39Å; D526-Y530 WeakPolarHBondContact O-CD2 3.48Å; D526-Y530 PolarHBondContact O-N 3.48Å; D526-Y530 VanDerWaalsContact O-N 3.12Å | ||
| 527 | Y | 72.1 | Confident | 81 | Confident | 33 Ų | 33 | 22.9 Ų | 22.9 | 13% | 0.129 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -10.7 | 179.7 | 65.6 | -96.7 | 0 | 0 | 0 | 114 | I525 T568 Y570 | I525-Y527 PolarHBondContact O-N 3.37Å; I525-Y527 VanDerWaalsContact O-N 3.09Å; Y527-T568 HydrophobicContact CE1-CG2 4.29Å; Y527-Y570 HydrophobicContact CD1-CD2 4.39Å; Y527-Y570 HydrophobicContact CD2-CD2 4.11Å; Y527-Y570 HydrophobicContact CD2-CE2 4.16Å; Y527-Y570 AromaticContact CE1-CD2 3.97Å; Y527-Y570 HydrophobicContact CE1-CD2 3.97Å; Y527-Y570 HydrophobicContact CE1-CE2 4.33Å; Y527-Y570 AromaticContact CE2-CD2 3.66Å; Y527-Y570 HydrophobicContact CE2-CD2 3.66Å; Y527-Y570 AromaticContact CE2-CE2 3.37Å; Y527-Y570 HydrophobicContact CE2-CE2 3.37Å; Y527-Y570 HydrophobicContact CG-CD2 4.46Å; Y527-Y570 AromaticContact CZ-CD2 3.58Å; Y527-Y570 AromaticContact CZ-CE2 3.48Å; Y527-Y570 VanDerWaalsContact CZ-CE2 3.48Å; Y527-Y570 WeakPolarHBondContact OH-CE2 3.23Å |
| 528 | E | 70.7 | Confident | 80.8 | Confident | 98 Ų | 98 | 21.2 Ų | 21.2 | 46% | 0.458 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -36.3 | 176.1 | -64.9 | -172 | 143.6 | 0 | 0 | 110.6 | R477 D526 K841 | R477-E528 IonicContact CZ-OE2 3.53Å; R477-E528 VanDerWaalsContact CZ-OE2 3.23Å; R477-E528 IonicContact NH1-OE2 3.71Å; R477-E528 PolarHBondContact NH1-OE2 3.31Å; R477-E528 IonicContact NH2-OE2 2.62Å; R477-E528 PolarHBondContact NH2-OE2 3.11Å; D526-E528 PolarHBondContact O-N 3.13Å; D526-E528 WeakPolarHBondContact OD1-CB 3.14Å; D526-E528 PolarHBondContact OD1-N 3.03Å; E528-K841 PolarHBondContact O-NZ 3.38Å |
| 529 | E | 68.9 | Low | 80.5 | Confident | 50 Ų | 50 | 21.9 Ų | 21.9 | 23% | 0.234 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -39.1 | -179.4 | -165.6 | 167.3 | -177.6 | 0 | 0 | 112.1 | D526 R842 | D526-E529 PolarHBondContact O-N 3.5Å; E529-R842 HydrophobicContact CG-CB 4.49Å; E529-R842 PolarHBondContact O-N 3.39Å; E529-R842 VanDerWaalsContact OE1-CD 3.26Å; E529-R842 WeakPolarHBondContact OE1-CD 3.27Å; E529-R842 IonicContact OE1-CZ 3.61Å; E529-R842 IonicContact OE1-NE 3.41Å; E529-R842 IonicContact OE1-NH1 3.77Å; E529-R842 PolarHBondContact OE1-NH1 2.98Å |
| 530 | Y | 75.3 | Confident | 80.3 | Confident | 9 Ų | 9 | 22.1 Ų | 22.1 | 4% | 0.035 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -117.9 | 120.4 | -169.3 | -50 | -65.4 | 0 | 0 | 0 | 112.9 | Q523 D526 T533 R842 E844 | Q523-Y530 HydrophobicContact CG-CE2 3.77Å; Q523-Y530 PolarHBondContact NE2-OH 2.82Å; Q523-Y530 WeakPolarHBondContact O-CE2 3.3Å; D526-Y530 HydrophobicContact CB-CD2 4.39Å; D526-Y530 WeakPolarHBondContact O-CD2 3.48Å; D526-Y530 PolarHBondContact O-N 3.48Å; D526-Y530 VanDerWaalsContact O-N 3.12Å; Y530-T533 PolarHBondContact O-OG1 3.38Å; Y530-R842 HydrophobicContact CD1-CB 4.19Å; Y530-R842 HydrophobicContact CE1-CB 4.1Å; Y530-E844 VanDerWaalsContact CB-OE1 3.23Å; Y530-E844 WeakPolarHBondContact CB-OE1 3.44Å; Y530-E844 HydrophobicContact CD1-CB 4.06Å; Y530-E844 HydrophobicContact CD1-CG 3.21Å; Y530-E844 HydrophobicContact CD2-CG 3.4Å; Y530-E844 WeakPolarHBondContact CD2-OE1 3.5Å; Y530-E844 VanDerWaalsContact CE1-CA 3.49Å; Y530-E844 HydrophobicContact CE1-CB 4.15Å; Y530-E844 HydrophobicContact CE1-CG 3.62Å; Y530-E844 HydrophobicContact CE2-CG 3.79Å; Y530-E844 HydrophobicContact CG-CB 4.34Å; Y530-E844 HydrophobicContact CG-CG 3.07Å |
| 531 | Y | 80.4 | Confident | 80 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -83.1 | -22.4 | -176.8 | 75.4 | -86.1 | 0 | 0 | 0 | 113.9 | T533 R534 Y820 V832 R833 A836 V843 M897 E901 | Y531-T533 PolarHBondContact O-N 2.89Å; Y531-R534 VanDerWaalsContact O-CB 3.32Å; Y531-R534 WeakPolarHBondContact O-CB 3.26Å; Y531-R534 PolarHBondContact O-N 3.41Å; Y531-R534 VanDerWaalsContact O-N 3.1Å; Y531-Y820 WeakPolarHBondContact CB-OH 3.38Å; Y531-V832 HydrophobicContact CD2-CG1 3.8Å; Y531-V832 HydrophobicContact CE2-CG1 4.45Å; Y531-V832 HydrophobicContact CG-CG1 4.46Å; Y531-R833 HydrophobicContact CE2-CG 4.38Å; Y531-A836 HydrophobicContact CD1-CB 4.09Å; Y531-A836 HydrophobicContact CE1-CB 4.42Å; Y531-A836 HydrophobicContact CG-CB 4.38Å; Y531-V843 HydrophobicContact CE1-CG2 4Å; Y531-M897 HydrophobicContact CE1-CG 3.78Å; Y531-M897 HydrophobicContact CE1-SD 3.54Å; Y531-M897 VanDerWaalsContact CE1-SD 3.54Å; Y531-M897 WeakPolarHBondContact OH-CG 3.37Å; Y531-E901 WeakPolarHBondContact OH-CG 3.08Å; Y531-E901 PolarHBondContact OH-OE1 3.47Å |
| 532 | T | 78.8 | Confident | 79.8 | Confident | 6 Ų | 6 | 24.1 Ų | 24.1 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -63.2 | -27.1 | -178.9 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | R534 D535 V843 E901 | T532-R534 PolarHBondContact O-N 2.99Å; T532-D535 PolarHBondContact O-N 3.09Å; T532-V843 HydrophobicContact CG2-CG1 4.44Å; T532-E901 HydrophobicContact CG2-CG 4.14Å |
| 533 | T | 74.8 | Confident | 79.9 | Confident | 15 Ų | 15 | 24.4 Ų | 24.4 | 9% | 0.092 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -64.2 | -16.2 | 175.4 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | H524 Y530 Y531 D535 E844 | H524-T533 WeakPolarHBondContact O-CG2 3.34Å; Y530-T533 PolarHBondContact O-OG1 3.38Å; Y531-T533 PolarHBondContact O-N 2.89Å; T533-D535 PolarHBondContact O-N 3.22Å; T533-E844 WeakPolarHBondContact CG2-OE1 3.25Å |
| 534 | R | 79.6 | Confident | 80.4 | Confident | 45 Ų | 45 | 24 Ų | 24 | 17% | 0.17 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -72.7 | -12.1 | 175.7 | -63.8 | -169.7 | 172.5 | -170.7 | -5 | 113.2 | Y531 T532 P536 Y820 C824 W829 | Y531-R534 VanDerWaalsContact O-CB 3.32Å; Y531-R534 WeakPolarHBondContact O-CB 3.26Å; Y531-R534 PolarHBondContact O-N 3.41Å; Y531-R534 VanDerWaalsContact O-N 3.1Å; T532-R534 PolarHBondContact O-N 2.99Å; R534-P536 WeakPolarHBondContact O-CD 3.17Å; R534-Y820 VanDerWaalsContact NH1-CE1 3.29Å; R534-C824 VanDerWaalsContact CD-SG 3.51Å; R534-C824 PolarHBondContact NH1-SG 3.28Å; R534-W829 HydrophobicContact CB-CH2 4.33Å |
| 535 | D | 86.3 | Confident | 81 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | trans | -86.1 | 108 | 168.9 | -174.1 | -19.6 | 0 | 0 | 0 | 109.5 | T532 T533 D537 L538 L539 W829 S955 P956 F957 | T532-D535 PolarHBondContact O-N 3.09Å; T533-D535 PolarHBondContact O-N 3.22Å; D535-D537 VanDerWaalsContact C-N 3.26Å; D535-D537 PolarHBondContact O-N 3.06Å; D535-D537 PolarHBondContact OD1-N 2.88Å; D535-D537 VanDerWaalsContact OD1-N 3.08Å; D535-L538 HydrophobicContact CB-CB 3.94Å; D535-L538 PolarHBondContact O-N 3.37Å; D535-L538 PolarHBondContact OD1-N 2.94Å; D535-L539 PolarHBondContact O-N 2.83Å; D535-W829 HydrophobicContact CB-CH2 3.88Å; D535-W829 HydrophobicContact CB-CZ2 4.05Å; D535-S955 WeakPolarHBondContact OD2-CB 3.35Å; D535-S955 PolarHBondContact OD2-OG 3.02Å; D535-P956 HydrophobicContact CB-CB 4.11Å; D535-P956 HydrophobicContact CB-CG 4.02Å; D535-P956 WeakPolarHBondContact OD2-CD 3.46Å; D535-F957 VanDerWaalsContact OD2-CB 3.23Å; D535-F957 WeakPolarHBondContact OD2-CB 3.45Å; D535-F957 PolarHBondContact OD2-N 3.08Å | ||
| 536 | P | 84.5 | Confident | 81.6 | Confident | 12 Ų | 12 | 24.5 Ų | 24.5 | 8% | 0.078 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.9 | -27.3 | -175.7 | 27.8 | -35.4 | 0 | 0 | 0 | 113.2 | R534 A540 P578 M581 | R534-P536 WeakPolarHBondContact O-CD 3.17Å; P536-A540 WeakPolarHBondContact O-CB 3.44Å; P536-A540 PolarHBondContact O-N 3.03Å; P536-P578 HydrophobicContact CB-CB 3.87Å; P536-P578 HydrophobicContact CB-CG 3.68Å; P536-P578 HydrophobicContact CG-CB 3.96Å; P536-P578 HydrophobicContact CG-CG 3.78Å; P536-M581 HydrophobicContact CB-CG 4.22Å |
| 537 | D | 87.2 | Confident | 82.4 | Confident | 68 Ų | 68 | 23.7 Ų | 23.7 | 36% | 0.364 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -71.6 | -41.3 | 176.4 | -68.5 | -74.7 | 0 | 0 | 0 | 110.5 | D535 S541 A580 F957 | D535-D537 VanDerWaalsContact C-N 3.26Å; D535-D537 PolarHBondContact O-N 3.06Å; D535-D537 PolarHBondContact OD1-N 2.88Å; D535-D537 VanDerWaalsContact OD1-N 3.08Å; D537-S541 WeakPolarHBondContact O-CB 3.3Å; D537-S541 PolarHBondContact O-N 3.15Å; D537-A580 WeakPolarHBondContact OD1-CB 3.34Å; D537-F957 HydrophobicContact CB-CB 3.94Å; D537-F957 HydrophobicContact CB-CD1 3.81Å; D537-F957 HydrophobicContact CB-CD2 4.01Å; D537-F957 HydrophobicContact CB-CE1 4.3Å; D537-F957 HydrophobicContact CB-CE2 4.49Å; D537-F957 HydrophobicContact CB-CG 3.64Å |
| 538 | L | 85.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 173.2 | -174.9 | 62.1 | 0 | 0 | 0 | 111.3 | D535 A540 S541 N542 Y905 P956 F957 K960 | D535-L538 HydrophobicContact CB-CB 3.94Å; D535-L538 PolarHBondContact O-N 3.37Å; D535-L538 PolarHBondContact OD1-N 2.94Å; L538-A540 PolarHBondContact O-N 3.46Å; L538-S541 WeakPolarHBondContact O-CB 3.34Å; L538-S541 PolarHBondContact O-N 3.42Å; L538-N542 WeakPolarHBondContact O-CB 3.43Å; L538-N542 VanDerWaalsContact O-CG 3.26Å; L538-N542 PolarHBondContact O-N 3.44Å; L538-N542 PolarHBondContact O-OD1 2.94Å; L538-Y905 HydrophobicContact CD2-CE1 4.31Å; L538-P956 HydrophobicContact CD2-CB 3.45Å; L538-P956 VanDerWaalsContact CD2-CB 3.45Å; L538-F957 HydrophobicContact CB-CB 4.14Å; L538-K960 HydrophobicContact CD1-CD 3.77Å |
| 539 | L | 86.6 | Confident | 83.8 | Confident | 17 Ų | 17 | 20.5 Ų | 20.5 | 9% | 0.089 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 177 | -178.5 | 64.4 | 0 | 0 | 0 | 111.6 | I525 D535 S541 N542 F543 M581 | I525-L539 HydrophobicContact CG1-CD1 4.19Å; D535-L539 PolarHBondContact O-N 2.83Å; L539-S541 VanDerWaalsContact C-N 3.33Å; L539-S541 PolarHBondContact O-N 3.45Å; L539-N542 PolarHBondContact O-N 2.76Å; L539-F543 VanDerWaalsContact O-CB 3.3Å; L539-F543 WeakPolarHBondContact O-CB 2.93Å; L539-F543 PolarHBondContact O-N 2.68Å; L539-M581 HydrophobicContact CD2-CE 4.07Å; L539-M581 HydrophobicContact CD2-SD 4.33Å; L539-M581 HydrophobicContact CG-SD 4.47Å |
| 540 | A | 88 | Confident | 84.8 | Confident | 6 Ų | 6 | 18.1 Ų | 18.1 | 5% | 0.05 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P536 L538 T544 A580 M581 | P536-A540 WeakPolarHBondContact O-CB 3.44Å; P536-A540 PolarHBondContact O-N 3.03Å; L538-A540 PolarHBondContact O-N 3.46Å; A540-T544 PolarHBondContact O-N 3.25Å; A540-T544 VanDerWaalsContact O-N 3.1Å; A540-T544 PolarHBondContact O-OG1 2.9Å; A540-A580 HydrophobicContact CB-CB 4.47Å; A540-M581 HydrophobicContact CB-SD 3.81Å |
| 541 | S | 86.6 | Confident | 85.3 | Confident | 33 Ų | 33 | 19 Ų | 19 | 23% | 0.231 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -51.6 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | D537 L538 L539 F543 T544 T545 K960 | D537-S541 WeakPolarHBondContact O-CB 3.3Å; D537-S541 PolarHBondContact O-N 3.15Å; L538-S541 WeakPolarHBondContact O-CB 3.34Å; L538-S541 PolarHBondContact O-N 3.42Å; L539-S541 VanDerWaalsContact C-N 3.33Å; L539-S541 PolarHBondContact O-N 3.45Å; S541-F543 PolarHBondContact O-N 3.27Å; S541-T544 WeakPolarHBondContact O-CB 3.46Å; S541-T544 PolarHBondContact O-N 3.13Å; S541-T545 PolarHBondContact O-N 3.32Å; S541-T545 PolarHBondContact O-OG1 3.02Å; S541-K960 PolarHBondContact OG-NZ 3.39Å |
| 542 | N | 85.8 | Confident | 85.3 | Confident | 19 Ų | 19 | 23.2 Ų | 23.2 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | -179.3 | -71.7 | -1.6 | 0 | 0 | 0 | 111.6 | L538 L539 T544 T545 N546 M908 | L538-N542 WeakPolarHBondContact O-CB 3.43Å; L538-N542 VanDerWaalsContact O-CG 3.26Å; L538-N542 PolarHBondContact O-N 3.44Å; L538-N542 PolarHBondContact O-OD1 2.94Å; L539-N542 PolarHBondContact O-N 2.76Å; N542-T544 VanDerWaalsContact C-N 3.31Å; N542-T544 PolarHBondContact O-N 2.82Å; N542-T545 WeakPolarHBondContact O-CB 3.37Å; N542-T545 PolarHBondContact O-N 2.72Å; N542-N546 VanDerWaalsContact O-CG 3.3Å; N542-N546 PolarHBondContact O-N 3.11Å; N542-N546 PolarHBondContact O-ND2 3.14Å; N542-M908 WeakPolarHBondContact OD1-CE 3.37Å |
| 543 | F | 87.8 | Confident | 85.5 | Confident | 7 Ų | 7 | 24.6 Ų | 24.6 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.2 | -169.8 | -102.5 | 0 | 0 | 0 | 111.2 | V442 L539 S541 T545 N546 L547 I563 L565 L588 | V442-F543 HydrophobicContact CG1-CE1 4.14Å; V442-F543 HydrophobicContact CG1-CZ 3.75Å; L539-F543 VanDerWaalsContact O-CB 3.3Å; L539-F543 WeakPolarHBondContact O-CB 2.93Å; L539-F543 PolarHBondContact O-N 2.68Å; S541-F543 PolarHBondContact O-N 3.27Å; F543-T545 VanDerWaalsContact C-N 3.34Å; F543-T545 PolarHBondContact O-N 3.2Å; F543-N546 WeakPolarHBondContact O-CB 3.42Å; F543-N546 PolarHBondContact O-N 3.45Å; F543-L547 HydrophobicContact CD1-CD1 3.98Å; F543-L547 HydrophobicContact CD1-CG 4.38Å; F543-L547 HydrophobicContact CE1-CD1 3.76Å; F543-L547 HydrophobicContact CE1-CD2 4.27Å; F543-L547 HydrophobicContact CE1-CG 4.17Å; F543-L547 HydrophobicContact CZ-CD2 4.33Å; F543-L547 WeakPolarHBondContact O-CG 3.49Å; F543-L547 PolarHBondContact O-N 3.25Å; F543-I563 HydrophobicContact CD2-CD1 4.18Å; F543-I563 HydrophobicContact CE2-CD1 3.6Å; F543-I563 HydrophobicContact CE2-CG1 4.07Å; F543-I563 HydrophobicContact CE2-CG2 4.37Å; F543-I563 HydrophobicContact CZ-CD1 4.25Å; F543-I563 HydrophobicContact CZ-CG2 4.08Å; F543-L565 HydrophobicContact CD2-CD1 4.44Å; F543-L565 HydrophobicContact CE2-CB 3.97Å; F543-L565 HydrophobicContact CE2-CD2 4.4Å; F543-L565 HydrophobicContact CZ-CB 4.27Å; F543-L565 HydrophobicContact CZ-CD2 4.48Å; F543-L588 HydrophobicContact CD1-CD1 4.46Å; F543-L588 HydrophobicContact CE1-CD1 3.77Å; F543-L588 HydrophobicContact CE1-CD2 4.38Å |
| 544 | T | 88.7 | Confident | 86 | Confident | 13 Ų | 13 | 24.1 Ų | 24.1 | 8% | 0.08 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 176.4 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | A540 S541 N542 L547 A548 I593 N594 | A540-T544 PolarHBondContact O-N 3.25Å; A540-T544 VanDerWaalsContact O-N 3.1Å; A540-T544 PolarHBondContact O-OG1 2.9Å; S541-T544 WeakPolarHBondContact O-CB 3.46Å; S541-T544 PolarHBondContact O-N 3.13Å; N542-T544 VanDerWaalsContact C-N 3.31Å; N542-T544 PolarHBondContact O-N 2.82Å; T544-L547 PolarHBondContact O-N 3Å; T544-A548 PolarHBondContact O-N 3.31Å; T544-I593 HydrophobicContact CG2-CD1 4.06Å; T544-I593 HydrophobicContact CG2-CG1 4Å; T544-N594 HydrophobicContact CG2-CB 3.82Å; T544-N594 VanDerWaalsContact CG2-ND2 3.29Å; T544-N594 WeakPolarHBondContact CG2-ND2 3.49Å |
| 545 | T | 84.9 | Confident | 85.7 | Confident | 41 Ų | 41 | 28.5 Ų | 28.5 | 25% | 0.252 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 173.6 | -60.5 | 0 | 0 | 0 | 0 | 112 | S541 N542 F543 L547 A548 F549 T912 | S541-T545 PolarHBondContact O-N 3.32Å; S541-T545 PolarHBondContact O-OG1 3.02Å; N542-T545 WeakPolarHBondContact O-CB 3.37Å; N542-T545 PolarHBondContact O-N 2.72Å; F543-T545 VanDerWaalsContact C-N 3.34Å; F543-T545 PolarHBondContact O-N 3.2Å; T545-L547 VanDerWaalsContact C-N 3.34Å; T545-L547 PolarHBondContact O-N 3.37Å; T545-A548 PolarHBondContact O-N 2.89Å; T545-F549 WeakPolarHBondContact O-CB 3.33Å; T545-F549 PolarHBondContact O-N 3.32Å; T545-T912 HydrophobicContact CG2-CG2 4.29Å |
| 546 | N | 87.3 | Confident | 84.8 | Confident | 20 Ų | 20 | 32 Ų | 32 | 11% | 0.107 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 177.2 | -73.3 | -19.7 | 0 | 0 | 0 | 112 | I504 N542 F543 F549 L550 I563 | I504-N546 HydrophobicContact CD1-CB 4.41Å; I504-N546 HydrophobicContact CG1-CB 4.33Å; N542-N546 VanDerWaalsContact O-CG 3.3Å; N542-N546 PolarHBondContact O-N 3.11Å; N542-N546 PolarHBondContact O-ND2 3.14Å; F543-N546 WeakPolarHBondContact O-CB 3.42Å; F543-N546 PolarHBondContact O-N 3.45Å; N546-F549 WeakPolarHBondContact O-CB 3.41Å; N546-F549 PolarHBondContact O-N 2.93Å; N546-L550 WeakPolarHBondContact O-CG 3.36Å; N546-L550 PolarHBondContact O-N 3.37Å; N546-I563 HydrophobicContact CB-CD1 4.38Å |
| 547 | L | 90.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 174.4 | -64 | 173.6 | 0 | 0 | 0 | 111.6 | V440 V442 F543 T544 T545 F549 L550 T551 I563 L588 I593 T596 V598 | V440-L547 HydrophobicContact CB-CD2 4.33Å; V440-L547 HydrophobicContact CG1-CD2 3.62Å; V442-L547 HydrophobicContact CG2-CD2 3.73Å; F543-L547 HydrophobicContact CD1-CD1 3.98Å; F543-L547 HydrophobicContact CD1-CG 4.38Å; F543-L547 HydrophobicContact CE1-CD1 3.76Å; F543-L547 HydrophobicContact CE1-CD2 4.27Å; F543-L547 HydrophobicContact CE1-CG 4.17Å; F543-L547 HydrophobicContact CZ-CD2 4.33Å; F543-L547 WeakPolarHBondContact O-CG 3.49Å; F543-L547 PolarHBondContact O-N 3.25Å; T544-L547 PolarHBondContact O-N 3Å; T545-L547 VanDerWaalsContact C-N 3.34Å; T545-L547 PolarHBondContact O-N 3.37Å; L547-F549 VanDerWaalsContact C-N 3.3Å; L547-F549 PolarHBondContact O-N 3.02Å; L547-L550 PolarHBondContact O-N 3.29Å; L547-T551 PolarHBondContact O-N 3.36Å; L547-T551 PolarHBondContact O-OG1 3.13Å; L547-I563 HydrophobicContact CD2-CG2 3.75Å; L547-L588 HydrophobicContact CD1-CD2 3.55Å; L547-I593 HydrophobicContact CD1-CG2 3.77Å; L547-T596 HydrophobicContact CB-CG2 4.03Å; L547-V598 HydrophobicContact CD1-CG1 4.19Å |
| 548 | A | 87 | Confident | 84.2 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T544 T545 T551 N552 T596 | T544-A548 PolarHBondContact O-N 3.31Å; T545-A548 PolarHBondContact O-N 2.89Å; A548-T551 PolarHBondContact O-N 3.03Å; A548-N552 PolarHBondContact O-N 3.18Å; A548-N552 VanDerWaalsContact O-N 3.1Å; A548-N552 PolarHBondContact O-ND2 3.22Å; A548-T596 WeakPolarHBondContact CA-OG1 3.44Å |
| 549 | F | 85.5 | Confident | 84.3 | Confident | 38 Ų | 38 | 39.1 Ų | 39.1 | 17% | 0.167 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 174.7 | 177.9 | -87.2 | 0 | 0 | 0 | 111.8 | H236 I504 L505 T545 N546 L547 N552 N553 | H236-F549 AromaticContact CD2-CE2 3.75Å; H236-F549 AromaticContact CD2-CZ 3.43Å; H236-F549 VanDerWaalsContact CD2-CZ 3.43Å; H236-F549 WeakPolarHBondContact CD2-CZ 3.39Å; H236-F549 AromaticContact NE2-CE2 3.26Å; H236-F549 VanDerWaalsContact NE2-CE2 3.26Å; H236-F549 WeakPolarHBondContact NE2-CE2 3.37Å; H236-F549 AromaticContact NE2-CZ 3.44Å; H236-F549 WeakPolarHBondContact NE2-CZ 3.4Å; I504-F549 HydrophobicContact CG2-CD1 3.34Å; I504-F549 HydrophobicContact CG2-CE1 3.27Å; I504-F549 HydrophobicContact CG2-CG 4.42Å; I504-F549 HydrophobicContact CG2-CZ 4.31Å; L505-F549 HydrophobicContact CD1-CE1 4.44Å; L505-F549 HydrophobicContact CD2-CD1 4.4Å; L505-F549 HydrophobicContact CD2-CE1 3.72Å; L505-F549 HydrophobicContact CG-CE1 3.88Å; T545-F549 WeakPolarHBondContact O-CB 3.33Å; T545-F549 PolarHBondContact O-N 3.32Å; N546-F549 WeakPolarHBondContact O-CB 3.41Å; N546-F549 PolarHBondContact O-N 2.93Å; L547-F549 VanDerWaalsContact C-N 3.3Å; L547-F549 PolarHBondContact O-N 3.02Å; F549-N552 PolarHBondContact O-N 3.4Å; F549-N553 WeakPolarHBondContact CD2-ND2 3.48Å; F549-N553 HydrophobicContact CE1-CB 4.35Å; F549-N553 WeakPolarHBondContact CE2-ND2 3.46Å; F549-N553 HydrophobicContact CZ-CB 4.38Å; F549-N553 WeakPolarHBondContact O-CB 3.42Å; F549-N553 PolarHBondContact O-N 2.93Å; F549-N553 PolarHBondContact O-ND2 3.16Å |
| 550 | L | 89.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 177.1 | -73 | 168.2 | 0 | 0 | 0 | 111.4 | V440 I504 L505 S508 N546 L547 N552 N553 W554 P561 I563 | V440-L550 HydrophobicContact CG1-CB 4.48Å; V440-L550 HydrophobicContact CG1-CD1 3.92Å; V440-L550 HydrophobicContact CG2-CB 3.94Å; I504-L550 HydrophobicContact CG1-CD1 4.26Å; I504-L550 HydrophobicContact CG1-CD2 4.2Å; I504-L550 HydrophobicContact CG1-CG 4.21Å; L505-L550 HydrophobicContact CD2-CD2 4.02Å; S508-L550 WeakPolarHBondContact OG-CD1 3.44Å; S508-L550 WeakPolarHBondContact OG-CD2 3.06Å; N546-L550 WeakPolarHBondContact O-CG 3.36Å; N546-L550 PolarHBondContact O-N 3.37Å; L547-L550 PolarHBondContact O-N 3.29Å; L550-N552 VanDerWaalsContact C-N 3.27Å; L550-N552 PolarHBondContact O-N 3.48Å; L550-N553 PolarHBondContact O-N 2.96Å; L550-W554 HydrophobicContact CD2-CE3 3.66Å; L550-W554 HydrophobicContact CD2-CZ3 3.75Å; L550-W554 WeakPolarHBondContact O-CB 3.4Å; L550-W554 PolarHBondContact O-N 3.06Å; L550-P561 HydrophobicContact CB-CB 4.45Å; L550-P561 HydrophobicContact CB-CG 4.45Å; L550-P561 HydrophobicContact CD1-CB 4.41Å; L550-P561 HydrophobicContact CD2-CB 4.15Å; L550-I563 HydrophobicContact CD1-CB 4.23Å; L550-I563 HydrophobicContact CD1-CD1 4.24Å |
| 551 | T | 86.8 | Confident | 84.9 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 16% | 0.16 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -39.5 | 177.6 | -69.6 | 0 | 0 | 0 | 0 | 112.8 | V440 L547 A548 T596 | V440-T551 VanDerWaalsContact CG2-OG1 3.29Å; V440-T551 WeakPolarHBondContact CG2-OG1 3.43Å; L547-T551 PolarHBondContact O-N 3.36Å; L547-T551 PolarHBondContact O-OG1 3.13Å; A548-T551 PolarHBondContact O-N 3.03Å; T551-T596 WeakPolarHBondContact OG1-CG2 3.47Å |
| 552 | N | 80.7 | Confident | 85.3 | Confident | 90 Ų | 90 | 41.1 Ų | 41.1 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -76.5 | -32.9 | -178 | -71.5 | -31.9 | 0 | 0 | 0 | 113.2 | A548 F549 L550 R555 | A548-N552 PolarHBondContact O-N 3.18Å; A548-N552 VanDerWaalsContact O-N 3.1Å; A548-N552 PolarHBondContact O-ND2 3.22Å; F549-N552 PolarHBondContact O-N 3.4Å; L550-N552 VanDerWaalsContact C-N 3.27Å; L550-N552 PolarHBondContact O-N 3.48Å; N552-R555 PolarHBondContact O-NE 3.4Å |
| 553 | N | 82.3 | Confident | 85.7 | Confident | 34 Ų | 34 | 40.2 Ų | 40.2 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -111.3 | -7.6 | -167.3 | -61.1 | -55.1 | 0 | 0 | 0 | 115.1 | H236 L505 F549 L550 R555 | H236-N553 PolarHBondContact CE1-OD1 3.49Å; H236-N553 PolarHBondContact ND1-OD1 3.33Å; L505-N553 HydrophobicContact CD2-CB 4.27Å; F549-N553 WeakPolarHBondContact CD2-ND2 3.48Å; F549-N553 HydrophobicContact CE1-CB 4.35Å; F549-N553 WeakPolarHBondContact CE2-ND2 3.46Å; F549-N553 HydrophobicContact CZ-CB 4.38Å; F549-N553 WeakPolarHBondContact O-CB 3.42Å; F549-N553 PolarHBondContact O-N 2.93Å; F549-N553 PolarHBondContact O-ND2 3.16Å; L550-N553 PolarHBondContact O-N 2.96Å; N553-R555 PolarHBondContact O-N 3.06Å; N553-R555 VanDerWaalsContact O-N 3.1Å |
| 554 | W | 86.1 | Confident | 85.9 | Confident | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.019 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -77.6 | 14.7 | 178.1 | -155.1 | -93.2 | 0 | 0 | 0 | 114.8 | V438 L505 S508 K509 L550 H556 M557 G559 P561 A611 | V438-W554 HydrophobicContact CG1-CB 3.94Å; V438-W554 HydrophobicContact CG1-CG 4.42Å; V438-W554 HydrophobicContact CG2-CB 4.29Å; L505-W554 HydrophobicContact CB-CZ3 4.37Å; L505-W554 HydrophobicContact CD2-CE3 3.86Å; L505-W554 HydrophobicContact CD2-CZ3 4.18Å; L505-W554 VanDerWaalsContact O-CH2 3.27Å; L505-W554 WeakPolarHBondContact O-CH2 3.33Å; L505-W554 WeakPolarHBondContact O-CZ3 3.27Å; S508-W554 WeakPolarHBondContact O-CH2 3.49Å; K509-W554 HydrophobicContact CG-CH2 3.63Å; K509-W554 HydrophobicContact CG-CZ2 4.07Å; L550-W554 HydrophobicContact CD2-CE3 3.66Å; L550-W554 HydrophobicContact CD2-CZ3 3.75Å; L550-W554 WeakPolarHBondContact O-CB 3.4Å; L550-W554 PolarHBondContact O-N 3.06Å; W554-H556 VanDerWaalsContact C-N 3.27Å; W554-H556 PolarHBondContact O-N 3.27Å; W554-M557 HydrophobicContact CD2-CB 4.48Å; W554-M557 HydrophobicContact CD2-CE 3.47Å; W554-M557 VanDerWaalsContact CD2-CE 3.47Å; W554-M557 HydrophobicContact CD2-SD 4.39Å; W554-M557 HydrophobicContact CE3-CE 3.26Å; W554-M557 HydrophobicContact CE3-SD 4.38Å; W554-M557 HydrophobicContact CG-CE 4.1Å; W554-M557 HydrophobicContact CH2-CE 4.06Å; W554-M557 HydrophobicContact CH2-SD 4.15Å; W554-M557 HydrophobicContact CZ2-CB 4.46Å; W554-M557 HydrophobicContact CZ2-CE 4.2Å; W554-M557 HydrophobicContact CZ2-SD 4.14Å; W554-M557 HydrophobicContact CZ3-CE 3.6Å; W554-M557 HydrophobicContact CZ3-SD 4.27Å; W554-G559 PolarHBondContact NE1-O 2.97Å; W554-P561 HydrophobicContact CB-CG 4.22Å; W554-P561 HydrophobicContact CD2-CB 3.53Å; W554-P561 HydrophobicContact CD2-CG 3.78Å; W554-P561 HydrophobicContact CE3-CB 3.63Å; W554-P561 HydrophobicContact CE3-CG 4.24Å; W554-P561 HydrophobicContact CG-CB 4.08Å; W554-P561 HydrophobicContact CG-CG 3.75Å; W554-P561 HydrophobicContact CH2-CB 3.97Å; W554-P561 HydrophobicContact CZ2-CB 3.9Å; W554-P561 HydrophobicContact CZ3-CB 3.83Å; W554-A611 HydrophobicContact CZ2-CB 3.68Å |
| 555 | R | 71.6 | Confident | 85.9 | Confident | 138 Ų | 138 | 39.5 Ų | 39.5 | 52% | 0.521 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -68.6 | -21.7 | -167.7 | -66.6 | -176 | -176.8 | -176.9 | 2.4 | 114.6 | K435 N552 N553 | K435-R555 HydrophobicContact CD-CB 4.18Å; K435-R555 WeakPolarHBondContact CD-O 3.04Å; K435-R555 PolarHBondContact NZ-O 2.72Å; N552-R555 PolarHBondContact O-NE 3.4Å; N553-R555 PolarHBondContact O-N 3.06Å; N553-R555 VanDerWaalsContact O-N 3.1Å |
| 556 | H | 68 | Low | 86 | Confident | 76 Ų | 76 | 38.3 Ų | 38.3 | 35% | 0.352 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -107.3 | 4 | -172 | -59.8 | -49.4 | 0 | 0 | 0 | 114 | E210 D271 K435 W554 | E210-H556 IonicContact OE1-CD2 3.96Å; D271-H556 IonicContact OD1-CE1 3.9Å; D271-H556 PolarHBondContact OD1-CE1 2.77Å; D271-H556 IonicContact OD1-NE2 3.6Å; D271-H556 PolarHBondContact OD1-NE2 3.11Å; D271-H556 IonicContact OD2-NE2 3.49Å; K435-H556 PolarHBondContact NZ-ND1 3.26Å; W554-H556 VanDerWaalsContact C-N 3.27Å; W554-H556 PolarHBondContact O-N 3.27Å |
| 557 | M | 78.4 | Confident | 86.1 | Confident | 35 Ų | 35 | 37.4 Ų | 37.4 | 17% | 0.172 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -108.2 | 145.2 | -179.1 | -70.4 | -179.8 | -82.6 | 0 | 0 | 111.7 | A232 L505 K509 W554 | A232-M557 HydrophobicContact CB-CE 4.09Å; A232-M557 HydrophobicContact CB-SD 3.81Å; L505-M557 HydrophobicContact CB-CE 4.2Å; L505-M557 HydrophobicContact CD1-CE 4.5Å; L505-M557 HydrophobicContact CD2-CE 4.07Å; L505-M557 HydrophobicContact CG-CE 4.49Å; K509-M557 WeakPolarHBondContact CE-SD 2.92Å; W554-M557 HydrophobicContact CD2-CB 4.48Å; W554-M557 HydrophobicContact CD2-CE 3.47Å; W554-M557 VanDerWaalsContact CD2-CE 3.47Å; W554-M557 HydrophobicContact CD2-SD 4.39Å; W554-M557 HydrophobicContact CE3-CE 3.26Å; W554-M557 HydrophobicContact CE3-SD 4.38Å; W554-M557 HydrophobicContact CG-CE 4.1Å; W554-M557 HydrophobicContact CH2-CE 4.06Å; W554-M557 HydrophobicContact CH2-SD 4.15Å; W554-M557 HydrophobicContact CZ2-CB 4.46Å; W554-M557 HydrophobicContact CZ2-CE 4.2Å; W554-M557 HydrophobicContact CZ2-SD 4.14Å; W554-M557 HydrophobicContact CZ3-CE 3.6Å; W554-M557 HydrophobicContact CZ3-SD 4.27Å |
| 558 | L | 81.7 | Confident | 85.8 | Confident | 155 Ų | 155 | 37.9 Ų | 37.9 | 81% | 0.812 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -81.8 | 140.6 | 174.3 | -65.4 | 173.6 | 0 | 0 | 0 | 110.2 | A611 | L558-A611 WeakPolarHBondContact O-CB 3.43Š|
| 559 | G | 87.6 | Confident | 85.5 | Confident | 41 Ų | 41 | 38 Ų | 38 | 42% | 0.423 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 82.1 | 171 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | W554 | W554-G559 PolarHBondContact NE1-O 2.97Š|
| 560 | R | 91.7 | Very high | 85 | Confident | 97 Ų | 97 | 41 Ų | 41 | 37% | 0.366 | 20% | 0.2 | S | C | . | . | B | Isolated β-bridge | trans | -90.8 | 145.2 | -177.1 | -65.2 | -178.7 | -177.7 | -173.3 | 1.9 | 111.5 | Q441 T562 T609 S610 A611 | Q441-R560 HydrophobicContact CG-CB 4.12Å; R560-T562 PolarHBondContact O-N 2.75Å; R560-T609 PolarHBondContact N-O 3.2Å; R560-S610 WeakPolarHBondContact O-CA 3.46Å; R560-A611 PolarHBondContact O-N 2.79Å |
| 561 | P | 95.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -67.8 | 130.3 | 172.7 | 20.3 | -20.6 | 0 | 0 | 0 | 110 | V438 V440 Q441 L550 W554 | V438-P561 HydrophobicContact CG1-CG 3.78Å; V440-P561 HydrophobicContact CB-CG 4.38Å; V440-P561 HydrophobicContact CG1-CG 4.33Å; V440-P561 HydrophobicContact CG2-CG 4.04Å; Q441-P561 WeakPolarHBondContact CB-O 3.27Å; Q441-P561 PolarHBondContact N-O 3.08Å; L550-P561 HydrophobicContact CB-CB 4.45Å; L550-P561 HydrophobicContact CB-CG 4.45Å; L550-P561 HydrophobicContact CD1-CB 4.41Å; L550-P561 HydrophobicContact CD2-CB 4.15Å; W554-P561 HydrophobicContact CB-CG 4.22Å; W554-P561 HydrophobicContact CD2-CB 3.53Å; W554-P561 HydrophobicContact CD2-CG 3.78Å; W554-P561 HydrophobicContact CE3-CB 3.63Å; W554-P561 HydrophobicContact CE3-CG 4.24Å; W554-P561 HydrophobicContact CG-CB 4.08Å; W554-P561 HydrophobicContact CG-CG 3.75Å; W554-P561 HydrophobicContact CH2-CB 3.97Å; W554-P561 HydrophobicContact CZ2-CB 3.9Å; W554-P561 HydrophobicContact CZ3-CB 3.83Å | ||
| 562 | T | 95 | Very high | 84.1 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 106.4 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | Q441 V443 S508 R560 L603 F606 S610 | Q441-T562 HydrophobicContact CB-CG2 4.36Å; Q441-T562 CarbonylContact O-C 3.58Å; Q441-T562 WeakPolarHBondContact O-CA 3.35Å; Q441-T562 PolarHBondContact OE1-OG1 3.48Å; V443-T562 HydrophobicContact CG2-CG2 4.03Å; S508-T562 CarbonylContact C-O 3.59Å; S508-T562 VanDerWaalsContact CA-O 3.25Å; S508-T562 WeakPolarHBondContact CA-O 3.45Å; S508-T562 PolarHBondContact O-N 3.05Å; R560-T562 PolarHBondContact O-N 2.75Å; T562-L603 HydrophobicContact CG2-CD2 4.25Å; T562-F606 HydrophobicContact CG2-CD2 4.4Å; T562-S610 VanDerWaalsContact OG1-CB 3.32Å; T562-S610 WeakPolarHBondContact OG1-CB 3.37Å; T562-S610 PolarHBondContact OG1-OG 2.84Å |
| 563 | I | 94.3 | Very high | 84 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.9 | 178.1 | -169.1 | 174.5 | 0 | 0 | 0 | 110.2 | V440 Q441 V442 V443 I504 P522 F543 N546 L547 L550 | V440-I563 HydrophobicContact CG1-CG2 4.11Å; Q441-I563 WeakPolarHBondContact O-CG2 3.37Å; Q441-I563 PolarHBondContact O-N 3.4Å; V442-I563 HydrophobicContact CB-CG2 4.32Å; V442-I563 HydrophobicContact CG1-CG2 4.32Å; V442-I563 HydrophobicContact CG2-CG2 3.86Å; V443-I563 PolarHBondContact N-O 3.47Å; I504-I563 HydrophobicContact CD1-CD1 3.84Å; I504-I563 HydrophobicContact CD1-CG1 4.39Å; P522-I563 HydrophobicContact CG-CD1 3.94Å; P522-I563 HydrophobicContact CG-CG1 3.67Å; F543-I563 HydrophobicContact CD2-CD1 4.18Å; F543-I563 HydrophobicContact CE2-CD1 3.6Å; F543-I563 HydrophobicContact CE2-CG1 4.07Å; F543-I563 HydrophobicContact CE2-CG2 4.37Å; F543-I563 HydrophobicContact CZ-CD1 4.25Å; F543-I563 HydrophobicContact CZ-CG2 4.08Å; N546-I563 HydrophobicContact CB-CD1 4.38Å; L547-I563 HydrophobicContact CD2-CG2 3.75Å; L550-I563 HydrophobicContact CD1-CB 4.23Å; L550-I563 HydrophobicContact CD1-CD1 4.24Å |
| 564 | T | 91.7 | Very high | 83.7 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122 | -179.4 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | V443 I445 V473 T521 P522 | V443-T564 CarbonylContact O-C 3.46Å; V443-T564 WeakPolarHBondContact O-CA 3.49Å; I445-T564 HydrophobicContact CD1-CG2 3.45Å; I445-T564 VanDerWaalsContact CD1-CG2 3.45Å; I445-T564 HydrophobicContact CG1-CG2 4.01Å; V473-T564 HydrophobicContact CG1-CG2 4.28Å; T521-T564 HydrophobicContact CG2-CG2 4.32Å; P522-T564 WeakPolarHBondContact CD-O 3.34Å |
| 565 | L | 89.7 | Confident | 83.3 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.9 | 174.1 | 176.9 | 64.7 | 0 | 0 | 0 | 109.4 | V443 I444 I445 I525 F543 M581 M585 | V443-L565 PolarHBondContact O-N 3.19Å; I444-L565 WeakPolarHBondContact CA-O 3.23Å; I445-L565 PolarHBondContact N-O 3.27Å; I525-L565 HydrophobicContact CD1-CD1 3.73Å; I525-L565 HydrophobicContact CG1-CD1 4.41Å; I525-L565 HydrophobicContact CG2-CD1 4.19Å; F543-L565 HydrophobicContact CD2-CD1 4.44Å; F543-L565 HydrophobicContact CE2-CB 3.97Å; F543-L565 HydrophobicContact CE2-CD2 4.4Å; F543-L565 HydrophobicContact CZ-CB 4.27Å; F543-L565 HydrophobicContact CZ-CD2 4.48Å; L565-M581 HydrophobicContact CD2-CE 4.21Å; L565-M585 HydrophobicContact CD2-CE 4.26Å |
| 566 | M | 87.1 | Confident | 83.9 | Confident | 17 Ų | 17 | 51 Ų | 51 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124.6 | 174.6 | -168.9 | 170.1 | 71.5 | 0 | 0 | 110.2 | I445 I465 T521 T568 F645 | I445-M566 CarbonylContact O-C 3.52Å; I445-M566 WeakPolarHBondContact O-CA 3.4Å; I465-M566 HydrophobicContact CD1-SD 4.27Å; T521-M566 HydrophobicContact CG2-CB 4.35Å; M566-T568 HydrophobicContact CE-CG2 3.5Å; M566-T568 HydrophobicContact CG-CG2 3.89Å; M566-T568 HydrophobicContact SD-CG2 4.35Å; M566-F645 HydrophobicContact CE-CD1 3.52Å; M566-F645 HydrophobicContact CE-CE1 3.53Å; M566-F645 HydrophobicContact CE-CG 4.21Å; M566-F645 HydrophobicContact CE-CZ 4.21Å; M566-F645 HydrophobicContact SD-CD1 3.94Å; M566-F645 HydrophobicContact SD-CD2 4.22Å; M566-F645 HydrophobicContact SD-CE1 3.81Å; M566-F645 HydrophobicContact SD-CE2 4.09Å; M566-F645 HydrophobicContact SD-CG 4.14Å; M566-F645 HydrophobicContact SD-CZ 3.88Å |
| 567 | A | 87.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | I444 I445 E447 I451 L455 M571 | I444-A567 HydrophobicContact CG2-CB 4.44Å; I445-A567 PolarHBondContact O-N 3.43Å; E447-A567 WeakPolarHBondContact CB-O 3.46Å; E447-A567 PolarHBondContact N-O 2.93Å; I451-A567 VanDerWaalsContact CD1-O 3.3Å; I451-A567 WeakPolarHBondContact CD1-O 3.39Å; I451-A567 HydrophobicContact CG2-CB 3.75Å; L455-A567 HydrophobicContact CD1-CB 3.89Å; A567-M571 VanDerWaalsContact CA-CE 3.42Å; A567-M571 HydrophobicContact CB-CE 3.87Å; A567-M571 HydrophobicContact CB-SD 3.8Å |
| 568 | T | 83.9 | Confident | 85.2 | Confident | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | trans | -117.5 | 162.8 | -173.6 | 63.9 | 0 | 0 | 0 | 0 | 112 | E447 I451 Y527 M566 Y570 M571 | E447-T568 HydrophobicContact CB-CG2 4.48Å; E447-T568 WeakPolarHBondContact OE2-CA 3.31Å; E447-T568 VanDerWaalsContact OE2-CB 3.24Å; E447-T568 WeakPolarHBondContact OE2-CB 3.33Å; I451-T568 VanDerWaalsContact CD1-CA 3.45Å; Y527-T568 HydrophobicContact CE1-CG2 4.29Å; M566-T568 HydrophobicContact CE-CG2 3.5Å; M566-T568 HydrophobicContact CG-CG2 3.89Å; M566-T568 HydrophobicContact SD-CG2 4.35Å; T568-Y570 PolarHBondContact O-N 3.33Å; T568-Y570 VanDerWaalsContact O-N 3.08Å; T568-M571 VanDerWaalsContact O-CG 3.25Å; T568-M571 WeakPolarHBondContact O-CG 3.42Å; T568-M571 PolarHBondContact O-N 2.94Å; T568-M571 VanDerWaalsContact O-N 3.09Å | ||
| 569 | H | 81.6 | Confident | 85.4 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 13% | 0.134 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -58.4 | -27.2 | -178.6 | -82.4 | -83.4 | 0 | 0 | 0 | 113 | E447 D448 E450 M571 L572 R648 | E447-H569 IonicContact OE2-CD2 2.81Å; E447-H569 PolarHBondContact OE2-N 3.07Å; D448-H569 IonicContact OD1-NE2 3.52Å; D448-H569 IonicContact OD2-CD2 3.57Å; D448-H569 IonicContact OD2-CE1 3.78Å; D448-H569 IonicContact OD2-NE2 3.3Å; D448-H569 PolarHBondContact OD2-NE2 3.17Å; E450-H569 IonicContact OE2-CE1 2.82Å; E450-H569 PolarHBondContact OE2-CE1 3.49Å; H569-M571 PolarHBondContact O-N 3.32Å; H569-L572 WeakPolarHBondContact O-CB 3.23Å; H569-L572 PolarHBondContact O-N 2.96Å; H569-L572 VanDerWaalsContact O-N 3.15Å; H569-R648 PolarHBondContact ND1-NH2 2.99Å |
| 570 | Y | 75.3 | Confident | 85.3 | Confident | 102 Ų | 102 | 44 Ų | 44 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -66.3 | -20.6 | 179.8 | -66.7 | -71.7 | 0 | 0 | 0 | 114.3 | Y527 T568 L572 | Y527-Y570 HydrophobicContact CD1-CD2 4.39Å; Y527-Y570 HydrophobicContact CD2-CD2 4.11Å; Y527-Y570 HydrophobicContact CD2-CE2 4.16Å; Y527-Y570 AromaticContact CE1-CD2 3.97Å; Y527-Y570 HydrophobicContact CE1-CD2 3.97Å; Y527-Y570 HydrophobicContact CE1-CE2 4.33Å; Y527-Y570 AromaticContact CE2-CD2 3.66Å; Y527-Y570 HydrophobicContact CE2-CD2 3.66Å; Y527-Y570 AromaticContact CE2-CE2 3.37Å; Y527-Y570 HydrophobicContact CE2-CE2 3.37Å; Y527-Y570 HydrophobicContact CG-CD2 4.46Å; Y527-Y570 AromaticContact CZ-CD2 3.58Å; Y527-Y570 AromaticContact CZ-CE2 3.48Å; Y527-Y570 VanDerWaalsContact CZ-CE2 3.48Å; Y527-Y570 WeakPolarHBondContact OH-CE2 3.23Å; T568-Y570 PolarHBondContact O-N 3.33Å; T568-Y570 VanDerWaalsContact O-N 3.08Å; Y570-L572 PolarHBondContact O-N 3.28Å |
| 571 | M | 76.9 | Confident | 85.1 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 9% | 0.089 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -77.9 | -13.4 | 176.3 | 82.5 | -178.8 | 28.4 | 0 | 0 | 112.9 | A567 T568 H569 P578 M581 | A567-M571 VanDerWaalsContact CA-CE 3.42Å; A567-M571 HydrophobicContact CB-CE 3.87Å; A567-M571 HydrophobicContact CB-SD 3.8Å; T568-M571 VanDerWaalsContact O-CG 3.25Å; T568-M571 WeakPolarHBondContact O-CG 3.42Å; T568-M571 PolarHBondContact O-N 2.94Å; T568-M571 VanDerWaalsContact O-N 3.09Å; H569-M571 PolarHBondContact O-N 3.32Å; M571-P578 WeakPolarHBondContact O-CD 3.36Å; M571-P578 WeakPolarHBondContact O-CG 3.13Å; M571-M581 HydrophobicContact CE-CE 4.27Å |
| 572 | L | 80.8 | Confident | 84.8 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 14% | 0.141 | 20% | 0.197 | C | C | . | . | trans | -76.1 | 130.2 | -177.1 | -58.5 | 177.8 | 0 | 0 | 0 | 110.5 | K454 H569 Y570 K576 I577 | K454-L572 HydrophobicContact CD-CD1 4.16Å; K454-L572 HydrophobicContact CD-CD2 4.3Å; H569-L572 WeakPolarHBondContact O-CB 3.23Å; H569-L572 PolarHBondContact O-N 2.96Å; H569-L572 VanDerWaalsContact O-N 3.15Å; Y570-L572 PolarHBondContact O-N 3.28Å; L572-K576 CarbonylContact C-O 3.58Å; L572-K576 WeakPolarHBondContact CA-O 3.27Å; L572-I577 HydrophobicContact CD2-CB 4.48Å; L572-I577 HydrophobicContact CD2-CG1 3.62Å | ||
| 573 | D | 77.3 | Confident | 84.5 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 32% | 0.316 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -105.3 | 117.8 | 169.5 | -170.9 | 14.5 | 0 | 0 | 0 | 108.8 | D575 K576 P578 K827 | D573-D575 PolarHBondContact O-N 3.11Å; D573-K576 PolarHBondContact N-O 2.98Å; D573-K576 PolarHBondContact O-N 3.49Å; D573-P578 HydrophobicContact CB-CG 4.19Å; D573-K827 IonicContact OD1-NZ 2.85Å; D573-K827 PolarHBondContact OD1-NZ 3.47Å; D573-K827 IonicContact OD2-NZ 2.8Å; D573-K827 PolarHBondContact OD2-NZ 2.97Å |
| 574 | Q | 75.6 | Confident | 84.3 | Confident | 141 Ų | 141 | 45.4 Ų | 45.4 | 66% | 0.659 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 44.1 | -174.1 | -57.4 | 175.6 | 14.6 | 0 | 0 | 112.5 | K576 | Q574-K576 PolarHBondContact O-N 3.12Š|
| 575 | D | 79.3 | Confident | 84.2 | Confident | 100 Ų | 100 | 45.5 Ų | 45.5 | 54% | 0.535 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 14 | 179 | -146.6 | 20.7 | 0 | 0 | 0 | 115.1 | K454 D573 | K454-D575 WeakPolarHBondContact CE-O 3.28Å; K454-D575 PolarHBondContact NZ-O 3.17Å; K454-D575 IonicContact NZ-OD1 2.9Å; K454-D575 PolarHBondContact NZ-OD1 3.08Å; K454-D575 IonicContact NZ-OD2 3.83Å; D573-D575 PolarHBondContact O-N 3.11Å |
| 576 | K | 84.4 | Confident | 84.2 | Confident | 158 Ų | 158 | 51.6 Ų | 51.6 | 69% | 0.687 | 25% | 0.246 | S | C | * | . | B | Isolated β-bridge | trans | -120.7 | 152.2 | 177 | -64.7 | -180 | -178.3 | 178.1 | 0 | 111.1 | L572 D573 Q574 | L572-K576 CarbonylContact C-O 3.58Å; L572-K576 WeakPolarHBondContact CA-O 3.27Å; D573-K576 PolarHBondContact N-O 2.98Å; D573-K576 PolarHBondContact O-N 3.49Å; Q574-K576 PolarHBondContact O-N 3.12Å |
| 577 | I | 85.4 | Confident | 84.4 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | trans | -74 | 129.3 | 176 | -58.5 | 162.1 | 0 | 0 | 0 | 108.9 | K454 L455 L572 M581 I582 | K454-I577 HydrophobicContact CB-CD1 4.01Å; L455-I577 HydrophobicContact CB-CD1 4.45Å; L455-I577 HydrophobicContact CD2-CD1 3.56Å; L455-I577 HydrophobicContact CG-CD1 3.74Å; L572-I577 HydrophobicContact CD2-CB 4.48Å; L572-I577 HydrophobicContact CD2-CG1 3.62Å; I577-M581 HydrophobicContact CG2-CB 4.09Å; I577-I582 HydrophobicContact CB-CD1 4.19Å; I577-I582 HydrophobicContact CB-CG1 4.13Å; I577-I582 HydrophobicContact CG2-CD1 4.33Å; I577-I582 HydrophobicContact CG2-CG1 3.76Å; I577-I582 WeakPolarHBondContact O-CD1 3.17Å | ||
| 578 | P | 86.9 | Confident | 84.6 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | trans | -57.7 | 142.9 | 178.7 | -27.6 | 35.5 | 0 | 0 | 0 | 112.8 | P536 M571 D573 A580 M581 I582 | P536-P578 HydrophobicContact CB-CB 3.87Å; P536-P578 HydrophobicContact CB-CG 3.68Å; P536-P578 HydrophobicContact CG-CB 3.96Å; P536-P578 HydrophobicContact CG-CG 3.78Å; M571-P578 WeakPolarHBondContact O-CD 3.36Å; M571-P578 WeakPolarHBondContact O-CG 3.13Å; D573-P578 HydrophobicContact CB-CG 4.19Å; P578-A580 VanDerWaalsContact C-N 3.28Å; P578-A580 PolarHBondContact O-N 2.7Å; P578-M581 HydrophobicContact CB-CG 4.44Å; P578-M581 PolarHBondContact O-N 2.83Å; P578-M581 VanDerWaalsContact O-N 3.11Å; P578-I582 PolarHBondContact O-N 2.86Å; P578-I582 VanDerWaalsContact O-N 3.14Å | ||
| 579 | L | 86.4 | Confident | 84.8 | Confident | 114 Ų | 114 | 59.9 Ų | 59.9 | 60% | 0.597 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -58.9 | -38.3 | -176.4 | -176.9 | 64.4 | 0 | 0 | 0 | 112.6 | M581 I582 Q583 | L579-M581 VanDerWaalsContact C-N 3.33Å; L579-M581 PolarHBondContact O-N 3.12Å; L579-I582 PolarHBondContact O-N 2.98Å; L579-Q583 HydrophobicContact CD1-CG 4.27Å; L579-Q583 HydrophobicContact CG-CG 4.25Å; L579-Q583 WeakPolarHBondContact O-CB 3.48Å; L579-Q583 VanDerWaalsContact O-CG 3.29Å; L579-Q583 WeakPolarHBondContact O-CG 3.48Å; L579-Q583 PolarHBondContact O-N 2.85Å |
| 580 | A | 85.7 | Confident | 85.2 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D537 A540 P578 T584 | D537-A580 WeakPolarHBondContact OD1-CB 3.34Å; A540-A580 HydrophobicContact CB-CB 4.47Å; P578-A580 VanDerWaalsContact C-N 3.28Å; P578-A580 PolarHBondContact O-N 2.7Å; A580-T584 WeakPolarHBondContact O-CB 3.41Å; A580-T584 PolarHBondContact O-N 2.96Å; A580-T584 PolarHBondContact O-OG1 3.23Å |
| 581 | M | 88.3 | Confident | 85.9 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.6 | -46.1 | 175.2 | -66.5 | -61.6 | -70.6 | 0 | 0 | 110.6 | P536 L539 A540 L565 M571 I577 P578 L579 Q583 T584 M585 | P536-M581 HydrophobicContact CB-CG 4.22Å; L539-M581 HydrophobicContact CD2-CE 4.07Å; L539-M581 HydrophobicContact CD2-SD 4.33Å; L539-M581 HydrophobicContact CG-SD 4.47Å; A540-M581 HydrophobicContact CB-SD 3.81Å; L565-M581 HydrophobicContact CD2-CE 4.21Å; M571-M581 HydrophobicContact CE-CE 4.27Å; I577-M581 HydrophobicContact CG2-CB 4.09Å; P578-M581 HydrophobicContact CB-CG 4.44Å; P578-M581 PolarHBondContact O-N 2.83Å; P578-M581 VanDerWaalsContact O-N 3.11Å; L579-M581 VanDerWaalsContact C-N 3.33Å; L579-M581 PolarHBondContact O-N 3.12Å; M581-Q583 PolarHBondContact O-N 3.13Å; M581-T584 PolarHBondContact O-N 3.4Å; M581-M585 HydrophobicContact CB-CE 4.49Å; M581-M585 HydrophobicContact CE-CE 3.9Å; M581-M585 WeakPolarHBondContact O-CB 3.49Å; M581-M585 VanDerWaalsContact O-CG 3.23Å; M581-M585 WeakPolarHBondContact O-CG 3.44Å; M581-M585 PolarHBondContact O-N 3.2Å |
| 582 | I | 87.8 | Confident | 86.5 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 176.7 | -63.6 | 166.5 | 0 | 0 | 0 | 111 | H458 I577 P578 L579 T584 M585 R586 | H458-I582 VanDerWaalsContact NE2-CD1 3.34Å; H458-I582 WeakPolarHBondContact NE2-CD1 3.32Å; I577-I582 HydrophobicContact CB-CD1 4.19Å; I577-I582 HydrophobicContact CB-CG1 4.13Å; I577-I582 HydrophobicContact CG2-CD1 4.33Å; I577-I582 HydrophobicContact CG2-CG1 3.76Å; I577-I582 WeakPolarHBondContact O-CD1 3.17Å; P578-I582 PolarHBondContact O-N 2.86Å; P578-I582 VanDerWaalsContact O-N 3.14Å; L579-I582 PolarHBondContact O-N 2.98Å; I582-T584 VanDerWaalsContact C-N 3.3Å; I582-T584 PolarHBondContact O-N 2.85Å; I582-M585 PolarHBondContact O-N 3.42Å; I582-R586 HydrophobicContact CG2-CG 4.38Å; I582-R586 WeakPolarHBondContact O-CB 3.29Å; I582-R586 WeakPolarHBondContact O-CG 3.38Å; I582-R586 PolarHBondContact O-N 2.97Å |
| 583 | Q | 89.3 | Confident | 86.8 | Confident | 94 Ų | 94 | 63.6 Ų | 63.6 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 178.8 | -74.2 | 179.6 | 6.7 | 0 | 0 | 111.6 | L579 M581 K587 | L579-Q583 HydrophobicContact CD1-CG 4.27Å; L579-Q583 HydrophobicContact CG-CG 4.25Å; L579-Q583 WeakPolarHBondContact O-CB 3.48Å; L579-Q583 VanDerWaalsContact O-CG 3.29Å; L579-Q583 WeakPolarHBondContact O-CG 3.48Å; L579-Q583 PolarHBondContact O-N 2.85Å; M581-Q583 PolarHBondContact O-N 3.13Å; Q583-K587 VanDerWaalsContact O-CG 3.31Å; Q583-K587 WeakPolarHBondContact O-CG 3.4Å; Q583-K587 PolarHBondContact O-N 3.19Å; Q583-K587 VanDerWaalsContact O-N 3.08Å |
| 584 | T | 90.1 | Very high | 87 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.8 | -51.2 | 177.3 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | A580 M581 I582 R586 K587 L588 I593 | A580-T584 WeakPolarHBondContact O-CB 3.41Å; A580-T584 PolarHBondContact O-N 2.96Å; A580-T584 PolarHBondContact O-OG1 3.23Å; M581-T584 PolarHBondContact O-N 3.4Å; I582-T584 VanDerWaalsContact C-N 3.3Å; I582-T584 PolarHBondContact O-N 2.85Å; T584-R586 VanDerWaalsContact C-N 3.34Å; T584-R586 PolarHBondContact O-N 3.32Å; T584-K587 CarbonylContact O-C 3.54Å; T584-K587 WeakPolarHBondContact O-CA 3.47Å; T584-K587 WeakPolarHBondContact O-CB 3.35Å; T584-K587 PolarHBondContact O-N 3.42Å; T584-L588 WeakPolarHBondContact O-CG 3.34Å; T584-L588 PolarHBondContact O-N 3.27Å; T584-I593 HydrophobicContact CG2-CD1 3.91Å |
| 585 | M | 90 | Very high | 87.3 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -38 | 179.1 | -66.6 | 175.1 | -179.3 | 0 | 0 | 112.9 | I444 L455 L460 L565 M581 I582 L588 K589 | I444-M585 HydrophobicContact CD1-CB 4.43Å; I444-M585 HydrophobicContact CD1-CE 4.38Å; I444-M585 HydrophobicContact CD1-CG 3.83Å; I444-M585 HydrophobicContact CD1-SD 4.2Å; L455-M585 HydrophobicContact CD2-CE 4.22Å; L455-M585 HydrophobicContact CD2-SD 3.65Å; L460-M585 HydrophobicContact CD1-CB 3.52Å; L460-M585 HydrophobicContact CD1-CG 4.23Å; L460-M585 HydrophobicContact CD1-SD 3.68Å; L460-M585 HydrophobicContact CD2-CB 4.05Å; L460-M585 HydrophobicContact CG-CB 4.46Å; L565-M585 HydrophobicContact CD2-CE 4.26Å; M581-M585 HydrophobicContact CB-CE 4.49Å; M581-M585 HydrophobicContact CE-CE 3.9Å; M581-M585 WeakPolarHBondContact O-CB 3.49Å; M581-M585 VanDerWaalsContact O-CG 3.23Å; M581-M585 WeakPolarHBondContact O-CG 3.44Å; M581-M585 PolarHBondContact O-N 3.2Å; I582-M585 PolarHBondContact O-N 3.42Å; M585-L588 WeakPolarHBondContact O-CB 3.26Å; M585-L588 PolarHBondContact O-N 2.73Å; M585-K589 PolarHBondContact O-N 3.26Å |
| 586 | R | 88.9 | Confident | 87.7 | Confident | 131 Ų | 131 | 57.6 Ų | 57.6 | 49% | 0.494 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 172.8 | -75.2 | 178.5 | 178.3 | 171.9 | 1.3 | 112.6 | I582 T584 L588 K589 S590 | I582-R586 HydrophobicContact CG2-CG 4.38Å; I582-R586 WeakPolarHBondContact O-CB 3.29Å; I582-R586 WeakPolarHBondContact O-CG 3.38Å; I582-R586 PolarHBondContact O-N 2.97Å; T584-R586 VanDerWaalsContact C-N 3.34Å; T584-R586 PolarHBondContact O-N 3.32Å; R586-L588 VanDerWaalsContact C-N 3.33Å; R586-K589 WeakPolarHBondContact O-CB 3.41Å; R586-K589 PolarHBondContact O-N 3.37Å; R586-S590 PolarHBondContact O-N 3.47Å |
| 587 | K | 90.3 | Very high | 88.1 | Confident | 101 Ų | 101 | 56.9 Ų | 56.9 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.3 | -33 | 172.4 | -71.5 | 173.8 | -178.4 | 177.3 | 0 | 112 | Q583 T584 K589 S590 I593 | Q583-K587 VanDerWaalsContact O-CG 3.31Å; Q583-K587 WeakPolarHBondContact O-CG 3.4Å; Q583-K587 PolarHBondContact O-N 3.19Å; Q583-K587 VanDerWaalsContact O-N 3.08Å; T584-K587 CarbonylContact O-C 3.54Å; T584-K587 WeakPolarHBondContact O-CA 3.47Å; T584-K587 WeakPolarHBondContact O-CB 3.35Å; T584-K587 PolarHBondContact O-N 3.42Å; K587-K589 VanDerWaalsContact C-N 3.32Å; K587-S590 PolarHBondContact O-N 3.33Å; K587-S590 PolarHBondContact O-OG 3.31Å; K587-I593 HydrophobicContact CB-CD1 4.06Å; K587-I593 HydrophobicContact CB-CG1 4.18Å; K587-I593 HydrophobicContact CD-CG1 4.41Å |
| 588 | L | 91.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 172.1 | -61.1 | 172.5 | 0 | 0 | 0 | 111.1 | V442 F543 L547 T584 M585 R586 S590 G591 I593 V598 | V442-L588 HydrophobicContact CG1-CD1 4.11Å; V442-L588 HydrophobicContact CG2-CD2 4.45Å; F543-L588 HydrophobicContact CD1-CD1 4.46Å; F543-L588 HydrophobicContact CE1-CD1 3.77Å; F543-L588 HydrophobicContact CE1-CD2 4.38Å; L547-L588 HydrophobicContact CD1-CD2 3.55Å; T584-L588 WeakPolarHBondContact O-CG 3.34Å; T584-L588 PolarHBondContact O-N 3.27Å; M585-L588 WeakPolarHBondContact O-CB 3.26Å; M585-L588 PolarHBondContact O-N 2.73Å; R586-L588 VanDerWaalsContact C-N 3.33Å; L588-S590 VanDerWaalsContact C-N 3.26Å; L588-S590 PolarHBondContact O-N 3.06Å; L588-G591 PolarHBondContact O-N 2.95Å; L588-G591 VanDerWaalsContact O-N 3.11Å; L588-I593 HydrophobicContact CD2-CD1 4.11Å; L588-I593 HydrophobicContact CD2-CG2 3.97Å; L588-V598 HydrophobicContact CD2-CG1 4.41Å; L588-V598 HydrophobicContact CD2-CG2 4.11Å |
| 589 | K | 89.6 | Confident | 88.9 | Confident | 100 Ų | 100 | 60 Ų | 60 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -28.2 | 175.8 | -167.3 | 176.9 | -177.1 | 175.3 | 0 | 113.1 | D459 M585 R586 K587 G591 L600 | D459-K589 PolarHBondContact O-NZ 3.04Å; D459-K589 IonicContact OD1-NZ 3.57Å; D459-K589 PolarHBondContact OD1-NZ 2.75Å; D459-K589 IonicContact OD2-NZ 3.68Å; D459-K589 PolarHBondContact OD2-NZ 3Å; M585-K589 PolarHBondContact O-N 3.26Å; R586-K589 WeakPolarHBondContact O-CB 3.41Å; R586-K589 PolarHBondContact O-N 3.37Å; K587-K589 VanDerWaalsContact C-N 3.32Å; K589-G591 PolarHBondContact O-N 3.31Å; K589-L600 HydrophobicContact CB-CD2 4.16Å |
| 590 | S | 89.5 | Confident | 89.3 | Confident | 89 Ų | 89 | 57.2 Ų | 57.2 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -10.4 | 175.7 | 72.9 | 0 | 0 | 0 | 0 | 114 | R586 K587 L588 | R586-S590 PolarHBondContact O-N 3.47Å; K587-S590 PolarHBondContact O-N 3.33Å; K587-S590 PolarHBondContact O-OG 3.31Å; L588-S590 VanDerWaalsContact C-N 3.26Å; L588-S590 PolarHBondContact O-N 3.06Å |
| 591 | G | 89.5 | Confident | 89.6 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 25% | 0.247 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 2.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L588 K589 V598 | L588-G591 PolarHBondContact O-N 2.95Å; L588-G591 VanDerWaalsContact O-N 3.11Å; K589-G591 PolarHBondContact O-N 3.31Å; G591-V598 CarbonylContact C-O 3.56Å; G591-V598 WeakPolarHBondContact CA-O 3.41Å; G591-V598 PolarHBondContact O-N 3.4Å |
| 592 | Y | 89.6 | Confident | 89.8 | Confident | 135 Ų | 135 | 58.3 Ų | 58.3 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 130.7 | 178.5 | -160.5 | -99.3 | 0 | 0 | 0 | 112.7 | G595 T596 R597 | Y592-G595 WeakPolarHBondContact OH-CA 3.37Å; Y592-G595 PolarHBondContact OH-O 3.2Å; Y592-T596 WeakPolarHBondContact CA-O 3.31Å; Y592-T596 WeakPolarHBondContact CD2-O 3.38Å; Y592-R597 HydrophobicContact CD2-CB 4.28Å |
| 593 | I | 88.1 | Confident | 89.9 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 125.4 | 178.4 | -167.2 | 170 | 0 | 0 | 0 | 110.7 | T544 L547 T584 K587 L588 G595 T596 V598 | T544-I593 HydrophobicContact CG2-CD1 4.06Å; T544-I593 HydrophobicContact CG2-CG1 4Å; L547-I593 HydrophobicContact CD1-CG2 3.77Å; T584-I593 HydrophobicContact CG2-CD1 3.91Å; K587-I593 HydrophobicContact CB-CD1 4.06Å; K587-I593 HydrophobicContact CB-CG1 4.18Å; K587-I593 HydrophobicContact CD-CG1 4.41Å; L588-I593 HydrophobicContact CD2-CD1 4.11Å; L588-I593 HydrophobicContact CD2-CG2 3.97Å; I593-G595 VanDerWaalsContact C-N 3.33Å; I593-G595 PolarHBondContact O-N 2.79Å; I593-G595 VanDerWaalsContact O-N 3.13Å; I593-T596 PolarHBondContact N-O 3.3Å; I593-T596 WeakPolarHBondContact O-CA 3.24Å; I593-T596 WeakPolarHBondContact O-CB 3.18Å; I593-T596 PolarHBondContact O-N 3.23Å; I593-V598 HydrophobicContact CG2-CG1 3.9Å; I593-V598 HydrophobicContact CG2-CG2 4.4Å |
| 594 | N | 80.7 | Confident | 90 | Very high | 123 Ų | 123 | 61.4 Ų | 61.4 | 66% | 0.658 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.4 | 48.8 | 176.1 | -75 | 2.6 | 0 | 0 | 0 | 115.5 | T544 T596 | T544-N594 HydrophobicContact CG2-CB 3.82Å; T544-N594 VanDerWaalsContact CG2-ND2 3.29Å; T544-N594 WeakPolarHBondContact CG2-ND2 3.49Å; N594-T596 VanDerWaalsContact C-N 3.29Å; N594-T596 PolarHBondContact O-N 3.26Å |
| 595 | G | 81.7 | Confident | 90 | Very high | 48 Ų | 48 | 65.7 Ų | 65.7 | 50% | 0.495 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | -4.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y592 I593 | Y592-G595 WeakPolarHBondContact OH-CA 3.37Å; Y592-G595 PolarHBondContact OH-O 3.2Å; I593-G595 VanDerWaalsContact C-N 3.33Å; I593-G595 PolarHBondContact O-N 2.79Å; I593-G595 VanDerWaalsContact O-N 3.13Å |
| 596 | T | 87.8 | Confident | 90.2 | Very high | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.3 | -172.3 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | V440 L547 A548 T551 Y592 I593 N594 V598 | V440-T596 HydrophobicContact CG2-CG2 4.19Å; L547-T596 HydrophobicContact CB-CG2 4.03Å; A548-T596 WeakPolarHBondContact CA-OG1 3.44Å; T551-T596 WeakPolarHBondContact OG1-CG2 3.47Å; Y592-T596 WeakPolarHBondContact CA-O 3.31Å; Y592-T596 WeakPolarHBondContact CD2-O 3.38Å; I593-T596 PolarHBondContact N-O 3.3Å; I593-T596 WeakPolarHBondContact O-CA 3.24Å; I593-T596 WeakPolarHBondContact O-CB 3.18Å; I593-T596 PolarHBondContact O-N 3.23Å; N594-T596 VanDerWaalsContact C-N 3.29Å; N594-T596 PolarHBondContact O-N 3.26Å; T596-V598 HydrophobicContact CG2-CG1 3.88Å |
| 597 | R | 92.3 | Very high | 90.3 | Very high | 142 Ų | 142 | 62.1 Ų | 62.1 | 54% | 0.536 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.9 | 173.4 | -171.4 | 171.2 | 176.7 | -171.7 | 4.3 | 110.1 | V439 V440 Y592 | V439-R597 HydrophobicContact CG1-CG 4.35Å; V439-R597 HydrophobicContact CG2-CG 4.05Å; V440-R597 PolarHBondContact N-O 3.29Å; Y592-R597 HydrophobicContact CD2-CB 4.28Å |
| 598 | V | 94.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 156.5 | -175.3 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | V440 V442 L547 L588 G591 I593 T596 | V440-V598 HydrophobicContact CB-CG1 4.43Å; V440-V598 CarbonylContact O-C 3.55Å; V440-V598 VanDerWaalsContact O-CA 3.24Å; V440-V598 WeakPolarHBondContact O-CA 3.49Å; V442-V598 HydrophobicContact CG2-CB 4.36Å; V442-V598 HydrophobicContact CG2-CG1 4.47Å; L547-V598 HydrophobicContact CD1-CG1 4.19Å; L588-V598 HydrophobicContact CD2-CG1 4.41Å; L588-V598 HydrophobicContact CD2-CG2 4.11Å; G591-V598 CarbonylContact C-O 3.56Å; G591-V598 WeakPolarHBondContact CA-O 3.41Å; G591-V598 PolarHBondContact O-N 3.4Å; I593-V598 HydrophobicContact CG2-CG1 3.9Å; I593-V598 HydrophobicContact CG2-CG2 4.4Å; T596-V598 HydrophobicContact CG2-CG1 3.88Å |
| 599 | M | 94.8 | Very high | 90.3 | Very high | 85 Ų | 85 | 67.2 Ų | 67.2 | 42% | 0.419 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 112.7 | 172.9 | -175.2 | 173 | -80.9 | 0 | 0 | 108.7 | V439 V440 Q441 V442 F606 | V439-M599 HydrophobicContact CG1-CB 4.04Å; V440-M599 PolarHBondContact O-N 2.85Å; Q441-M599 WeakPolarHBondContact CA-O 3.18Å; V442-M599 PolarHBondContact N-O 2.87Å; M599-F606 HydrophobicContact CB-CZ 4.34Å; M599-F606 HydrophobicContact CG-CE1 3.76Å; M599-F606 HydrophobicContact CG-CZ 3.84Å; M599-F606 WeakPolarHBondContact O-CZ 3.24Å; M599-F606 HydrophobicContact SD-CE1 3.75Å; M599-F606 HydrophobicContact SD-CZ 4.43Å |
| 600 | L | 94.5 | Very high | 90.5 | Very high | 57 Ų | 57 | 63 Ų | 63 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130.9 | 175 | -177.2 | 67.8 | 0 | 0 | 0 | 109.5 | V442 I444 L460 K589 | V442-L600 HydrophobicContact CB-CD1 4.36Å; V442-L600 HydrophobicContact CG1-CD1 4.22Å; V442-L600 WeakPolarHBondContact O-CA 3.44Å; I444-L600 HydrophobicContact CD1-CD1 3.87Å; I444-L600 HydrophobicContact CG1-CD1 3.98Å; L460-L600 HydrophobicContact CD2-CD2 4.48Å; K589-L600 HydrophobicContact CB-CD2 4.16Å |
| 601 | G | 92.8 | Very high | 90.6 | Very high | 26 Ų | 26 | 59 Ų | 59 | 27% | 0.268 | 31% | 0.314 | S | S | . | . | trans | -172.3 | -172.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V442 F606 | V442-G601 PolarHBondContact O-N 3.34Å; V442-G601 VanDerWaalsContact O-N 3.14Å; G601-F606 VanDerWaalsContact CA-CZ 3.48Å | ||
| 602 | S | 92.7 | Very high | 90.7 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | trans | -88.2 | 158.4 | 177.4 | 74.7 | 0 | 0 | 0 | 0 | 112.2 | K604 D605 F606 | S602-K604 PolarHBondContact O-N 2.94Å; S602-D605 WeakPolarHBondContact CB-OD2 3.32Å; S602-D605 PolarHBondContact N-OD2 3.04Å; S602-D605 VanDerWaalsContact N-OD2 3.15Å; S602-D605 PolarHBondContact O-N 2.94Å; S602-D605 PolarHBondContact OG-N 3.17Å; S602-D605 VanDerWaalsContact OG-N 3.17Å; S602-D605 PolarHBondContact OG-OD1 2.93Å; S602-D605 PolarHBondContact OG-OD2 3.33Å; S602-F606 WeakPolarHBondContact O-CD2 3.27Å; S602-F606 PolarHBondContact O-N 3.43Å | ||
| 603 | L | 90.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.5 | -35.3 | 173.9 | -88.3 | 164.2 | 0 | 0 | 0 | 112.1 | V443 I445 V468 I471 V473 L510 A519 T562 D605 F606 L607 | V443-L603 HydrophobicContact CB-CG 4.38Å; V443-L603 HydrophobicContact CG1-CD1 4.43Å; V443-L603 HydrophobicContact CG1-CG 3.94Å; V443-L603 HydrophobicContact CG2-CD2 4.15Å; V443-L603 HydrophobicContact CG2-CG 4.02Å; I445-L603 HydrophobicContact CD1-CD1 3.8Å; V468-L603 HydrophobicContact CG1-CB 4.35Å; V468-L603 HydrophobicContact CG1-CD1 3.44Å; V468-L603 VanDerWaalsContact CG1-CD1 3.44Å; I471-L603 HydrophobicContact CD1-CB 3.81Å; I471-L603 HydrophobicContact CG2-CD1 4.13Å; V473-L603 HydrophobicContact CG2-CD1 3.95Å; L510-L603 HydrophobicContact CD2-CD2 3.94Å; A519-L603 HydrophobicContact CB-CD1 4.15Å; A519-L603 HydrophobicContact CB-CD2 4.01Å; T562-L603 HydrophobicContact CG2-CD2 4.25Å; L603-D605 VanDerWaalsContact C-N 3.34Å; L603-D605 PolarHBondContact O-N 2.87Å; L603-F606 PolarHBondContact O-N 3.4Å; L603-L607 PolarHBondContact O-N 3.16Å |
| 604 | K | 89.9 | Confident | 90.7 | Very high | 167 Ų | 167 | 58.6 Ų | 58.6 | 73% | 0.726 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.8 | -37 | 178.3 | -171.5 | 177.6 | 179.9 | 178.9 | 0 | 112.1 | S602 F606 | S602-K604 PolarHBondContact O-N 2.94Å; K604-F606 VanDerWaalsContact C-N 3.28Å; K604-F606 PolarHBondContact O-N 3.4Å |
| 605 | D | 90.7 | Very high | 91 | Very high | 109 Ų | 109 | 52.7 Ų | 52.7 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.4 | -32.9 | 178.2 | -59.3 | -35.7 | 0 | 0 | 0 | 111.7 | S602 L603 | S602-D605 WeakPolarHBondContact CB-OD2 3.32Å; S602-D605 PolarHBondContact N-OD2 3.04Å; S602-D605 VanDerWaalsContact N-OD2 3.15Å; S602-D605 PolarHBondContact O-N 2.94Å; S602-D605 PolarHBondContact OG-N 3.17Å; S602-D605 VanDerWaalsContact OG-N 3.17Å; S602-D605 PolarHBondContact OG-OD1 2.93Å; S602-D605 PolarHBondContact OG-OD2 3.33Å; L603-D605 VanDerWaalsContact C-N 3.34Å; L603-D605 PolarHBondContact O-N 2.87Å |
| 606 | F | 94 | Very high | 91.1 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 4% | 0.039 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -91.1 | -17 | -173 | -62.2 | -31.6 | 0 | 0 | 0 | 115.1 | Q441 V443 T562 M599 G601 S602 L603 K604 N608 T609 S610 | Q441-F606 HydrophobicContact CB-CD1 4.42Å; Q441-F606 HydrophobicContact CB-CD2 3.73Å; Q441-F606 HydrophobicContact CB-CE1 4.49Å; Q441-F606 HydrophobicContact CB-CE2 3.79Å; Q441-F606 HydrophobicContact CB-CG 4.05Å; Q441-F606 HydrophobicContact CB-CZ 4.17Å; Q441-F606 HydrophobicContact CG-CD1 4.12Å; Q441-F606 HydrophobicContact CG-CD2 4.31Å; Q441-F606 HydrophobicContact CG-CE1 4.24Å; Q441-F606 HydrophobicContact CG-CE2 4.41Å; Q441-F606 HydrophobicContact CG-CG 4.16Å; Q441-F606 HydrophobicContact CG-CZ 4.36Å; V443-F606 HydrophobicContact CG2-CD2 3.73Å; V443-F606 HydrophobicContact CG2-CE2 3.96Å; T562-F606 HydrophobicContact CG2-CD2 4.4Å; M599-F606 HydrophobicContact CB-CZ 4.34Å; M599-F606 HydrophobicContact CG-CE1 3.76Å; M599-F606 HydrophobicContact CG-CZ 3.84Å; M599-F606 WeakPolarHBondContact O-CZ 3.24Å; M599-F606 HydrophobicContact SD-CE1 3.75Å; M599-F606 HydrophobicContact SD-CZ 4.43Å; G601-F606 VanDerWaalsContact CA-CZ 3.48Å; S602-F606 WeakPolarHBondContact O-CD2 3.27Å; S602-F606 PolarHBondContact O-N 3.43Å; L603-F606 PolarHBondContact O-N 3.4Å; K604-F606 VanDerWaalsContact C-N 3.28Å; K604-F606 PolarHBondContact O-N 3.4Å; F606-N608 PolarHBondContact O-N 2.9Å; F606-T609 CarbonylContact O-C 3.53Å; F606-T609 WeakPolarHBondContact O-CA 3.5Å; F606-T609 PolarHBondContact O-N 3.45Å; F606-T609 PolarHBondContact O-OG1 2.95Å; F606-S610 PolarHBondContact O-N 3.36Å; F606-S610 PolarHBondContact O-OG 2.87Å |
| 607 | L | 90.6 | Very high | 90.9 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | -40.2 | -174.7 | -169.7 | 145.4 | 0 | 0 | 0 | 114.7 | I471 I517 L603 T609 | I471-L607 HydrophobicContact CD1-CD1 3.92Å; I471-L607 HydrophobicContact CG1-CD1 4.41Å; I517-L607 HydrophobicContact CD1-CD1 3.53Å; I517-L607 HydrophobicContact CD1-CG 4.2Å; L603-L607 PolarHBondContact O-N 3.16Å; L607-T609 VanDerWaalsContact C-N 3.3Å; L607-T609 PolarHBondContact O-N 2.88Å |
| 608 | N | 90.1 | Very high | 90.5 | Very high | 152 Ų | 152 | 46.8 Ų | 46.8 | 81% | 0.813 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -8.1 | -179.8 | -66.2 | -33.2 | 0 | 0 | 0 | 114.8 | F606 | F606-N608 PolarHBondContact O-N 2.9Š|
| 609 | T | 92.4 | Very high | 89.8 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 36% | 0.356 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -20.1 | -173.1 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | Q441 R560 F606 L607 | Q441-T609 PolarHBondContact NE2-OG1 3.47Å; R560-T609 PolarHBondContact N-O 3.2Å; F606-T609 CarbonylContact O-C 3.53Å; F606-T609 WeakPolarHBondContact O-CA 3.5Å; F606-T609 PolarHBondContact O-N 3.45Å; F606-T609 PolarHBondContact O-OG1 2.95Å; L607-T609 VanDerWaalsContact C-N 3.3Å; L607-T609 PolarHBondContact O-N 2.88Å |
| 610 | S | 92.9 | Very high | 88.8 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -65.8 | 152.1 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | Q441 R560 T562 F606 I612 | Q441-S610 PolarHBondContact OE1-OG 2.68Å; R560-S610 WeakPolarHBondContact O-CA 3.46Å; T562-S610 VanDerWaalsContact OG1-CB 3.32Å; T562-S610 WeakPolarHBondContact OG1-CB 3.37Å; T562-S610 PolarHBondContact OG1-OG 2.84Å; F606-S610 PolarHBondContact O-N 3.36Å; F606-S610 PolarHBondContact O-OG 2.87Å; S610-I612 PolarHBondContact O-N 3.02Å |
| 611 | A | 92 | Very high | 87.7 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | trans | -69.2 | 125.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | K509 L510 W554 L558 R560 | K509-A611 HydrophobicContact CG-CB 4.31Å; L510-A611 PolarHBondContact N-O 2.71Å; W554-A611 HydrophobicContact CZ2-CB 3.68Å; L558-A611 WeakPolarHBondContact O-CB 3.43Å; R560-A611 PolarHBondContact O-N 2.79Å | ||
| 612 | I | 91.2 | Very high | 86.6 | Confident | 82 Ų | 82 | 45.8 Ų | 45.8 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.8 | 178.4 | -52.3 | -179 | 0 | 0 | 0 | 109 | L510 S610 | L510-I612 HydrophobicContact CB-CG1 4.21Å; L510-I612 CarbonylContact O-C 3.6Å; L510-I612 VanDerWaalsContact O-CA 3.27Å; L510-I612 WeakPolarHBondContact O-CA 3.34Å; S610-I612 PolarHBondContact O-N 3.02Å |
| 613 | T | 89.9 | Confident | 85.4 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 141.9 | 174.1 | -62.3 | 0 | 0 | 0 | 0 | 110 | K509 L510 Y511 S512 | K509-T613 WeakPolarHBondContact CD-OG1 3.49Å; L510-T613 PolarHBondContact O-N 2.96Å; Y511-T613 CarbonylContact C-O 3.55Å; Y511-T613 VanDerWaalsContact CA-O 3.23Å; Y511-T613 WeakPolarHBondContact CA-O 3.38Å; Y511-T613 HydrophobicContact CD1-CG2 4.36Å; Y511-T613 HydrophobicContact CE1-CG2 4.12Å; S512-T613 PolarHBondContact N-O 3.26Å |
| 614 | D | 87.7 | Confident | 84.4 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 34% | 0.342 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 138.2 | -178.9 | -175.7 | 43.1 | 0 | 0 | 0 | 112 | S616 | D614-S616 WeakPolarHBondContact OD2-CB 3.33Å; D614-S616 PolarHBondContact OD2-OG 2.87Å |
| 615 | L | 87.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -103.5 | 27.5 | 179.3 | -64.9 | 179.6 | 0 | 0 | 0 | 112.3 | L482 Y483 Y511 S512 L513 F617 L618 | L482-L615 HydrophobicContact CD1-CD1 4.05Å; Y483-L615 HydrophobicContact CE2-CD2 4.47Å; Y511-L615 HydrophobicContact CD1-CD1 4.04Å; Y511-L615 HydrophobicContact CD1-CD2 3.61Å; Y511-L615 HydrophobicContact CD1-CG 3.74Å; Y511-L615 HydrophobicContact CE1-CD2 4.05Å; Y511-L615 HydrophobicContact CG-CD1 4.25Å; Y511-L615 HydrophobicContact CG-CG 4.36Å; S512-L615 PolarHBondContact O-N 3.38Å; L513-L615 HydrophobicContact CB-CB 4.36Å; L513-L615 HydrophobicContact CD1-CB 3.95Å; L615-F617 HydrophobicContact CB-CE1 4.5Å; L615-F617 HydrophobicContact CD2-CE1 3.55Å; L615-F617 HydrophobicContact CD2-CZ 3.84Å; L615-F617 PolarHBondContact O-N 3.09Å; L615-F617 VanDerWaalsContact O-N 3.1Å; L615-L618 HydrophobicContact CB-CD1 3.97Å; L615-L618 HydrophobicContact CB-CG 4.49Å; L615-L618 HydrophobicContact CD1-CD1 4.39Å; L615-L618 WeakPolarHBondContact O-CB 3.49Å; L615-L618 WeakPolarHBondContact O-CG 3.29Å; L615-L618 PolarHBondContact O-N 3.06Å; L615-L618 VanDerWaalsContact O-N 3.1Å | ||
| 616 | S | 83.1 | Confident | 82.5 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -58.6 | -20.7 | 179.8 | 45.8 | 0 | 0 | 0 | 0 | 114.6 | P224 D614 L618 G619 | P224-S616 WeakPolarHBondContact CB-OG 3.44Å; D614-S616 WeakPolarHBondContact OD2-CB 3.33Å; D614-S616 PolarHBondContact OD2-OG 2.87Å; S616-L618 PolarHBondContact O-N 2.74Å; S616-G619 PolarHBondContact O-N 3.46Å |
| 617 | F | 84.4 | Confident | 81.3 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -61.4 | -13.4 | 173.7 | 69.9 | -100.3 | 0 | 0 | 0 | 114 | H229 Y483 L486 L615 G619 | H229-F617 AromaticContact CD2-CD1 3.9Å; H229-F617 AromaticContact NE2-CD1 3.84Å; Y483-F617 HydrophobicContact CD1-CE1 4.48Å; Y483-F617 AromaticContact CD1-CZ 3.94Å; Y483-F617 HydrophobicContact CD1-CZ 3.94Å; Y483-F617 HydrophobicContact CE1-CE1 4.12Å; Y483-F617 HydrophobicContact CE1-CZ 4.02Å; Y483-F617 HydrophobicContact CG-CZ 4.42Å; L486-F617 HydrophobicContact CB-CD2 4Å; L486-F617 HydrophobicContact CB-CE2 3.79Å; L486-F617 HydrophobicContact CB-CZ 4.32Å; L486-F617 HydrophobicContact CD1-CB 4.03Å; L486-F617 HydrophobicContact CD1-CD1 4Å; L486-F617 HydrophobicContact CD1-CD2 3.79Å; L486-F617 HydrophobicContact CD1-CE1 4.4Å; L486-F617 HydrophobicContact CD1-CE2 4.23Å; L486-F617 HydrophobicContact CD1-CG 3.67Å; L486-F617 HydrophobicContact CG-CD2 4.5Å; L615-F617 HydrophobicContact CB-CE1 4.5Å; L615-F617 HydrophobicContact CD2-CE1 3.55Å; L615-F617 HydrophobicContact CD2-CZ 3.84Å; L615-F617 PolarHBondContact O-N 3.09Å; L615-F617 VanDerWaalsContact O-N 3.1Å; F617-G619 PolarHBondContact O-N 2.88Å |
| 618 | L | 83.9 | Confident | 80.8 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -76.9 | -3.6 | 174.4 | -63.1 | 174.4 | 0 | 0 | 0 | 113.8 | L482 Y485 L513 L615 S616 L629 H630 V633 | L482-L618 HydrophobicContact CB-CD1 4.24Å; L482-L618 HydrophobicContact CB-CD2 4.35Å; L482-L618 HydrophobicContact CD1-CD1 4.26Å; L482-L618 HydrophobicContact CD2-CD1 3.97Å; L482-L618 HydrophobicContact CG-CD1 4.37Å; L482-L618 WeakPolarHBondContact O-CD2 3.48Å; Y485-L618 HydrophobicContact CD2-CD2 4.49Å; Y485-L618 HydrophobicContact CG-CD2 4.39Å; L513-L618 HydrophobicContact CD1-CB 4.36Å; L513-L618 HydrophobicContact CD1-CD1 3.97Å; L513-L618 HydrophobicContact CD2-CD1 4.14Å; L615-L618 HydrophobicContact CB-CD1 3.97Å; L615-L618 HydrophobicContact CB-CG 4.49Å; L615-L618 HydrophobicContact CD1-CD1 4.39Å; L615-L618 WeakPolarHBondContact O-CB 3.49Å; L615-L618 WeakPolarHBondContact O-CG 3.29Å; L615-L618 PolarHBondContact O-N 3.06Å; L615-L618 VanDerWaalsContact O-N 3.1Å; S616-L618 PolarHBondContact O-N 2.74Å; L618-L629 HydrophobicContact CB-CD2 4.01Å; L618-H630 PolarHBondContact O-N 3.43Å; L618-V633 HydrophobicContact CD1-CG1 4.28Å; L618-V633 HydrophobicContact CD2-CG1 4.43Å; L618-V633 HydrophobicContact CD2-CG2 4.27Å |
| 619 | G | 79.1 | Confident | 80.3 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 152.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S616 F617 T621 P626 | S616-G619 PolarHBondContact O-N 3.46Å; F617-G619 PolarHBondContact O-N 2.88Å; G619-T621 PolarHBondContact O-N 3.12Å; G619-P626 WeakPolarHBondContact CA-O 3.49Å |
| 620 | S | 73.9 | Confident | 79.6 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 58 | 179.7 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | E622 D623 G624 Y625 R628 L629 H630 | S620-E622 VanDerWaalsContact C-N 3.31Å; S620-E622 PolarHBondContact O-N 3.45Å; S620-D623 PolarHBondContact O-N 3.38Å; S620-G624 PolarHBondContact O-N 3.22Å; S620-Y625 PolarHBondContact N-O 3.09Å; S620-Y625 CarbonylContact O-C 3.53Å; S620-Y625 PolarHBondContact O-N 2.76Å; S620-Y625 VanDerWaalsContact O-N 3.09Å; S620-R628 WeakPolarHBondContact CB-O 3.17Å; S620-R628 PolarHBondContact N-O 2.87Å; S620-R628 PolarHBondContact OG-O 2.94Å; S620-L629 PolarHBondContact OG-O 3.38Å; S620-H630 WeakPolarHBondContact OG-CA 3.5Å; S620-H630 PolarHBondContact OG-N 3.44Å |
| 621 | T | 72.2 | Confident | 79 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 32% | 0.319 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -35 | -174.5 | -43.9 | 0 | 0 | 0 | 0 | 112.1 | L159 A225 G619 D623 G624 | L159-T621 HydrophobicContact CD1-CG2 3.78Å; A225-T621 HydrophobicContact CB-CG2 4.05Å; G619-T621 PolarHBondContact O-N 3.12Å; T621-D623 VanDerWaalsContact C-N 3.33Å; T621-D623 PolarHBondContact O-N 3.37Å; T621-G624 PolarHBondContact O-N 3.17Å |
| 622 | E | 68.8 | Low | 78.5 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -33.9 | 175.7 | -68.9 | -161.2 | 137.7 | 0 | 0 | 113 | N489 R490 S620 G624 | N489-E622 WeakPolarHBondContact CA-OE1 3.48Å; R490-E622 WeakPolarHBondContact CG-OE2 3.4Å; R490-E622 PolarHBondContact N-OE1 3.2Å; S620-E622 VanDerWaalsContact C-N 3.31Å; S620-E622 PolarHBondContact O-N 3.45Å; E622-G624 PolarHBondContact O-N 2.76Å |
| 623 | D | 67.9 | Low | 78.1 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.2 | -179.7 | -61.4 | -41.9 | 0 | 0 | 0 | 112.2 | R490 S620 T621 Y625 | R490-D623 IonicContact NH1-OD1 3.44Å; S620-D623 PolarHBondContact O-N 3.38Å; T621-D623 VanDerWaalsContact C-N 3.33Å; T621-D623 PolarHBondContact O-N 3.37Å; D623-Y625 VanDerWaalsContact C-N 3.32Å; D623-Y625 HydrophobicContact CB-CD2 4.3Å; D623-Y625 WeakPolarHBondContact O-CD2 3Å; D623-Y625 WeakPolarHBondContact O-CE2 3.38Å; D623-Y625 PolarHBondContact O-N 3.32Å |
| 624 | G | 69.3 | Low | 77.8 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 58% | 0.577 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 11.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S620 T621 E622 P626 | S620-G624 PolarHBondContact O-N 3.22Å; T621-G624 PolarHBondContact O-N 3.17Å; E622-G624 PolarHBondContact O-N 2.76Å; G624-P626 WeakPolarHBondContact O-CD 3.3Å |
| 625 | Y | 72.8 | Confident | 77.6 | Confident | 155 Ų | 155 | 60.3 Ų | 60.3 | 61% | 0.608 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 71.3 | -179.3 | -61.2 | -74.6 | 0 | 0 | 0 | 111 | S620 D623 D627 R628 | S620-Y625 PolarHBondContact N-O 3.09Å; S620-Y625 CarbonylContact O-C 3.53Å; S620-Y625 PolarHBondContact O-N 2.76Å; S620-Y625 VanDerWaalsContact O-N 3.09Å; D623-Y625 VanDerWaalsContact C-N 3.32Å; D623-Y625 HydrophobicContact CB-CD2 4.3Å; D623-Y625 WeakPolarHBondContact O-CD2 3Å; D623-Y625 WeakPolarHBondContact O-CE2 3.38Å; D623-Y625 PolarHBondContact O-N 3.32Å; Y625-D627 PolarHBondContact O-N 3.19Å; Y625-R628 PolarHBondContact O-N 3.4Å |
| 626 | P | 67.5 | Low | 77.4 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | -31.4 | -176.2 | 25.1 | -34.1 | 0 | 0 | 0 | 112.8 | G619 G624 R628 | G619-P626 WeakPolarHBondContact CA-O 3.49Å; G624-P626 WeakPolarHBondContact O-CD 3.3Å; P626-R628 PolarHBondContact O-N 3.33Å |
| 627 | D | 70.4 | Confident | 77.3 | Confident | 145 Ų | 145 | 61 Ų | 61 | 78% | 0.775 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -12 | 180 | -56.5 | -38.7 | 0 | 0 | 0 | 113.5 | K514 Y625 | K514-D627 WeakPolarHBondContact CE-O 3.32Å; K514-D627 PolarHBondContact NZ-O 2.68Å; Y625-D627 PolarHBondContact O-N 3.19Å |
| 628 | R | 78.6 | Confident | 77.1 | Confident | 165 Ų | 165 | 63.1 Ų | 63.1 | 62% | 0.623 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.9 | -179.1 | -155.4 | 176.7 | -173.5 | 176.6 | 1.4 | 110.2 | S620 Y625 P626 | S620-R628 WeakPolarHBondContact CB-O 3.17Å; S620-R628 PolarHBondContact N-O 2.87Å; S620-R628 PolarHBondContact OG-O 2.94Å; Y625-R628 PolarHBondContact O-N 3.4Å; P626-R628 PolarHBondContact O-N 3.33Å |
| 629 | L | 80 | Confident | 76.8 | Confident | 20 Ų | 20 | 68.4 Ų | 68.4 | 11% | 0.105 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 149 | 174.6 | -65.3 | 174.9 | 0 | 0 | 0 | 109.7 | L513 K514 L618 S620 Q634 L637 | L513-L629 HydrophobicContact CD1-CD2 3.83Å; L513-L629 HydrophobicContact CD2-CD1 4.4Å; L513-L629 HydrophobicContact CG-CD2 4.44Å; K514-L629 HydrophobicContact CD-CG 4.48Å; L618-L629 HydrophobicContact CB-CD2 4.01Å; S620-L629 PolarHBondContact OG-O 3.38Å; L629-Q634 HydrophobicContact CB-CB 4.48Å; L629-L637 HydrophobicContact CD1-CD1 4.32Å |
| 630 | H | 78.3 | Confident | 76.4 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 134.6 | 171.5 | -168.6 | -83.7 | 0 | 0 | 0 | 109.9 | R490 L618 S620 D632 V633 Q634 | R490-H630 PolarHBondContact NH2-NE2 3.16Å; L618-H630 PolarHBondContact O-N 3.43Å; S620-H630 WeakPolarHBondContact OG-CA 3.5Å; S620-H630 PolarHBondContact OG-N 3.44Å; H630-D632 VanDerWaalsContact C-N 3.28Å; H630-D632 IonicContact CE1-OD2 3.75Å; H630-D632 PolarHBondContact CE1-OD2 3.5Å; H630-D632 PolarHBondContact ND1-N 3.17Å; H630-D632 IonicContact ND1-OD2 3.39Å; H630-D632 PolarHBondContact O-N 3.33Å; H630-V633 HydrophobicContact CB-CB 4.29Å; H630-V633 HydrophobicContact CB-CG2 3.94Å; H630-V633 WeakPolarHBondContact O-CA 3.32Å; H630-V633 WeakPolarHBondContact O-CB 3.45Å; H630-V633 PolarHBondContact O-N 3.4Å; H630-Q634 PolarHBondContact O-N 3.39Å |
| 631 | P | 79.8 | Confident | 76 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 47% | 0.474 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -53.5 | -40.8 | -175.4 | -28.9 | 35 | 0 | 0 | 0 | 114.2 | V633 Q634 T635 | P631-V633 VanDerWaalsContact C-N 3.34Å; P631-V633 PolarHBondContact O-N 3.46Å; P631-Q634 PolarHBondContact O-N 2.94Å; P631-T635 WeakPolarHBondContact O-CB 3.43Å; P631-T635 PolarHBondContact O-N 3.07Å; P631-T635 PolarHBondContact O-OG1 2.82Å |
| 632 | D | 81.8 | Confident | 74.7 | Confident | 88 Ų | 88 | 76 Ų | 76 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 177.5 | -57.4 | -15.5 | 0 | 0 | 0 | 112.5 | Y485 H630 Y636 | Y485-D632 HydrophobicContact CE1-CB 4.36Å; Y485-D632 WeakPolarHBondContact OH-CB 3.19Å; H630-D632 VanDerWaalsContact C-N 3.28Å; H630-D632 IonicContact CE1-OD2 3.75Å; H630-D632 PolarHBondContact CE1-OD2 3.5Å; H630-D632 PolarHBondContact ND1-N 3.17Å; H630-D632 IonicContact ND1-OD2 3.39Å; H630-D632 PolarHBondContact O-N 3.33Å; D632-Y636 VanDerWaalsContact O-CB 3.24Å; D632-Y636 WeakPolarHBondContact O-CB 3.14Å; D632-Y636 PolarHBondContact O-N 3.2Å |
| 633 | V | 83 | Confident | 73.9 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 109.7 | L482 Y485 L618 H630 P631 Y636 L637 | L482-V633 HydrophobicContact CD2-CG1 3.8Å; Y485-V633 HydrophobicContact CD1-CG2 3.71Å; Y485-V633 HydrophobicContact CD2-CG2 3.74Å; Y485-V633 HydrophobicContact CE1-CG2 3.58Å; Y485-V633 HydrophobicContact CE2-CG2 3.63Å; Y485-V633 HydrophobicContact CG-CG2 3.79Å; L618-V633 HydrophobicContact CD1-CG1 4.28Å; L618-V633 HydrophobicContact CD2-CG1 4.43Å; L618-V633 HydrophobicContact CD2-CG2 4.27Å; H630-V633 HydrophobicContact CB-CB 4.29Å; H630-V633 HydrophobicContact CB-CG2 3.94Å; H630-V633 WeakPolarHBondContact O-CA 3.32Å; H630-V633 WeakPolarHBondContact O-CB 3.45Å; H630-V633 PolarHBondContact O-N 3.4Å; P631-V633 VanDerWaalsContact C-N 3.34Å; P631-V633 PolarHBondContact O-N 3.46Å; V633-Y636 PolarHBondContact O-N 2.86Å; V633-L637 HydrophobicContact CG1-CD1 4.02Å; V633-L637 HydrophobicContact CG1-CG 4.42Å; V633-L637 WeakPolarHBondContact O-CB 3.43Å; V633-L637 WeakPolarHBondContact O-CG 2.92Å; V633-L637 PolarHBondContact O-N 2.9Å |
| 634 | Q | 83.1 | Confident | 72.8 | Confident | 85 Ų | 85 | 80.9 Ų | 80.9 | 40% | 0.397 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 177.2 | -175.3 | 170.6 | -1.6 | 0 | 0 | 111.2 | L629 H630 P631 Y636 L637 D638 | L629-Q634 HydrophobicContact CB-CB 4.48Å; H630-Q634 PolarHBondContact O-N 3.39Å; P631-Q634 PolarHBondContact O-N 2.94Å; Q634-Y636 PolarHBondContact O-N 2.96Å; Q634-L637 PolarHBondContact O-N 3.07Å; Q634-D638 WeakPolarHBondContact O-CB 3.26Å; Q634-D638 PolarHBondContact O-N 2.98Å |
| 635 | T | 83.8 | Confident | 71.8 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 177.8 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | P631 D638 E639 | P631-T635 WeakPolarHBondContact O-CB 3.43Å; P631-T635 PolarHBondContact O-N 3.07Å; P631-T635 PolarHBondContact O-OG1 2.82Å; T635-D638 PolarHBondContact O-N 3.3Å; T635-E639 WeakPolarHBondContact O-CG 3.35Å; T635-E639 PolarHBondContact O-N 3.33Å |
| 636 | Y | 83.5 | Confident | 70.2 | Confident | 39 Ų | 39 | 77.3 Ų | 77.3 | 15% | 0.153 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 178.1 | -178 | -96.5 | 0 | 0 | 0 | 112.4 | V478 H481 D632 V633 Q634 E639 H640 | V478-Y636 HydrophobicContact CG1-CE1 4.19Å; H481-Y636 HydrophobicContact CB-CE1 3.82Å; H481-Y636 HydrophobicContact CB-CE2 4.43Å; H481-Y636 AromaticContact CE1-CD1 3.85Å; H481-Y636 AromaticContact CE1-CD2 3.46Å; H481-Y636 VanDerWaalsContact CE1-CD2 3.46Å; H481-Y636 WeakPolarHBondContact CE1-CD2 3.43Å; H481-Y636 AromaticContact CE1-CE2 3.77Å; H481-Y636 AromaticContact CE1-CG 3.49Å; H481-Y636 VanDerWaalsContact CE1-CG 3.49Å; H481-Y636 AromaticContact CG-CE1 3.74Å; H481-Y636 AromaticContact CG-CE2 3.85Å; H481-Y636 AromaticContact CG-CZ 3.56Å; H481-Y636 AromaticContact ND1-CD1 3.23Å; H481-Y636 WeakPolarHBondContact ND1-CD1 3.38Å; H481-Y636 AromaticContact ND1-CD2 3.55Å; H481-Y636 AromaticContact ND1-CE1 3.24Å; H481-Y636 WeakPolarHBondContact ND1-CE1 3.42Å; H481-Y636 AromaticContact ND1-CE2 3.55Å; H481-Y636 AromaticContact ND1-CG 3.39Å; H481-Y636 AromaticContact ND1-CZ 3.41Å; D632-Y636 VanDerWaalsContact O-CB 3.24Å; D632-Y636 WeakPolarHBondContact O-CB 3.14Å; D632-Y636 PolarHBondContact O-N 3.2Å; V633-Y636 PolarHBondContact O-N 2.86Å; Q634-Y636 PolarHBondContact O-N 2.96Å; Y636-E639 PolarHBondContact O-N 3.31Å; Y636-H640 AromaticContact CD2-CD2 3.61Å; Y636-H640 AromaticContact CD2-NE2 3.85Å; Y636-H640 AromaticContact CE1-CD2 3.74Å; Y636-H640 AromaticContact CE2-CD2 3.28Å; Y636-H640 WeakPolarHBondContact CE2-CD2 3.47Å; Y636-H640 AromaticContact CE2-NE2 3.13Å; Y636-H640 WeakPolarHBondContact CE2-NE2 3.49Å; Y636-H640 AromaticContact CG-CD2 3.98Å; Y636-H640 AromaticContact CZ-CD2 3.35Å; Y636-H640 AromaticContact CZ-NE2 3.33Å; Y636-H640 VanDerWaalsContact CZ-NE2 3.33Å; Y636-H640 WeakPolarHBondContact O-CB 3.14Å; Y636-H640 PolarHBondContact O-CD2 2.88Å; Y636-H640 PolarHBondContact O-N 2.8Å; Y636-H640 PolarHBondContact OH-NE2 3.41Å |
| 637 | L | 81.8 | Confident | 68.8 | Low | 12 Ų | 12 | 80.3 Ų | 80.3 | 6% | 0.063 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 174.9 | -72.8 | 173.7 | 0 | 0 | 0 | 110.3 | V478 L482 L513 L629 V633 Q634 E639 H640 L641 | V478-L637 HydrophobicContact CG1-CD2 4.35Å; L482-L637 HydrophobicContact CD1-CD2 4.48Å; L482-L637 HydrophobicContact CD2-CD2 4.25Å; L482-L637 HydrophobicContact CD2-CG 4.44Å; L513-L637 HydrophobicContact CD2-CD1 3.85Å; L629-L637 HydrophobicContact CD1-CD1 4.32Å; V633-L637 HydrophobicContact CG1-CD1 4.02Å; V633-L637 HydrophobicContact CG1-CG 4.42Å; V633-L637 WeakPolarHBondContact O-CB 3.43Å; V633-L637 WeakPolarHBondContact O-CG 2.92Å; V633-L637 PolarHBondContact O-N 2.9Å; Q634-L637 PolarHBondContact O-N 3.07Å; L637-E639 VanDerWaalsContact C-N 3.35Å; L637-E639 PolarHBondContact O-N 2.98Å; L637-H640 PolarHBondContact O-N 3.08Å; L637-L641 HydrophobicContact CB-CD1 4.24Å; L637-L641 WeakPolarHBondContact O-CB 3.1Å; L637-L641 WeakPolarHBondContact O-CD1 3.35Å; L637-L641 WeakPolarHBondContact O-CG 3.49Å; L637-L641 PolarHBondContact O-N 3.48Å |
| 638 | D | 80.2 | Confident | 67.3 | Low | 75 Ų | 75 | 81 Ų | 81 | 40% | 0.401 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 179.2 | -68.6 | -22.8 | 0 | 0 | 0 | 111.8 | Q634 T635 L642 | Q634-D638 WeakPolarHBondContact O-CB 3.26Å; Q634-D638 PolarHBondContact O-N 2.98Å; T635-D638 PolarHBondContact O-N 3.3Å; D638-L642 VanDerWaalsContact O-CD1 3.3Å; D638-L642 WeakPolarHBondContact O-CD1 2.95Å; D638-L642 VanDerWaalsContact O-CG 3.23Å; D638-L642 WeakPolarHBondContact O-CG 3.22Å; D638-L642 PolarHBondContact O-N 3.48Å |
| 639 | E | 76.3 | Confident | 65.3 | Low | 114 Ų | 114 | 77.8 Ų | 77.8 | 53% | 0.533 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 175.6 | -75.8 | -178.2 | -179.5 | 0 | 0 | 113.3 | T635 Y636 L637 | T635-E639 WeakPolarHBondContact O-CG 3.35Å; T635-E639 PolarHBondContact O-N 3.33Å; Y636-E639 PolarHBondContact O-N 3.31Å; L637-E639 VanDerWaalsContact C-N 3.35Å; L637-E639 PolarHBondContact O-N 2.98Å |
| 640 | H | 72.1 | Confident | 63.4 | Low | 37 Ų | 37 | 80.8 Ų | 80.8 | 17% | 0.171 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -81 | -26.6 | -177.8 | -83.3 | -85.5 | 0 | 0 | 0 | 113.3 | V478 Y636 L637 L642 | V478-H640 HydrophobicContact CG2-CB 4.44Å; Y636-H640 AromaticContact CD2-CD2 3.61Å; Y636-H640 AromaticContact CD2-NE2 3.85Å; Y636-H640 AromaticContact CE1-CD2 3.74Å; Y636-H640 AromaticContact CE2-CD2 3.28Å; Y636-H640 WeakPolarHBondContact CE2-CD2 3.47Å; Y636-H640 AromaticContact CE2-NE2 3.13Å; Y636-H640 WeakPolarHBondContact CE2-NE2 3.49Å; Y636-H640 AromaticContact CG-CD2 3.98Å; Y636-H640 AromaticContact CZ-CD2 3.35Å; Y636-H640 AromaticContact CZ-NE2 3.33Å; Y636-H640 VanDerWaalsContact CZ-NE2 3.33Å; Y636-H640 WeakPolarHBondContact O-CB 3.14Å; Y636-H640 PolarHBondContact O-CD2 2.88Å; Y636-H640 PolarHBondContact O-N 2.8Å; Y636-H640 PolarHBondContact OH-NE2 3.41Å; L637-H640 PolarHBondContact O-N 3.08Å; H640-L642 VanDerWaalsContact C-N 3.32Å |
| 641 | L | 64.7 | Low | 61.6 | Low | 51 Ų | 51 | 81.9 Ų | 81.9 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.4 | -29.4 | 172.8 | -72.1 | 168.1 | 0 | 0 | 0 | 112.2 | E472 L637 | E472-L641 WeakPolarHBondContact OE2-CD2 3.34Å; L637-L641 HydrophobicContact CB-CD1 4.24Å; L637-L641 WeakPolarHBondContact O-CB 3.1Å; L637-L641 WeakPolarHBondContact O-CD1 3.35Å; L637-L641 WeakPolarHBondContact O-CG 3.49Å; L637-L641 PolarHBondContact O-N 3.48Å |
| 642 | L | 46.1 | Very low | 59.7 | Low | 145 Ų | 145 | 84.2 Ų | 84.2 | 76% | 0.759 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -83.1 | -17.4 | 179.5 | -72.2 | 167 | 0 | 0 | 0 | 113.7 | D638 H640 S644 | D638-L642 VanDerWaalsContact O-CD1 3.3Å; D638-L642 WeakPolarHBondContact O-CD1 2.95Å; D638-L642 VanDerWaalsContact O-CG 3.23Å; D638-L642 WeakPolarHBondContact O-CG 3.22Å; D638-L642 PolarHBondContact O-N 3.48Å; H640-L642 VanDerWaalsContact C-N 3.32Å; L642-S644 PolarHBondContact O-N 2.92Å; L642-S644 VanDerWaalsContact O-N 3.12Å |
| 643 | R | 52 | Low | 57.9 | Low | 177 Ų | 177 | 84.6 Ų | 84.6 | 67% | 0.668 | 44% | 0.438 | S | S | * | . | trans | -82.3 | 83.9 | 172 | -72.8 | -172.4 | -176.9 | -174.6 | 4.9 | 109.7 | ||||
| 644 | S | 43.1 | Very low | 55.7 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 59% | 0.594 | 48% | 0.479 | S | S | * | . | trans | -54.5 | 143.4 | 161.4 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | L642 S646 | L642-S644 PolarHBondContact O-N 2.92Å; L642-S644 VanDerWaalsContact O-N 3.12Å; S644-S646 PolarHBondContact O-N 3.12Å | ||
| 645 | F | 48.7 | Very low | 53.4 | Low | 52 Ų | 52 | 95 Ų | 95 | 23% | 0.228 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -56.4 | 9.1 | 179.1 | -68.2 | -87.7 | 0 | 0 | 0 | 115.3 | I465 M566 | I465-F645 HydrophobicContact CD1-CD2 3.58Å; I465-F645 HydrophobicContact CD1-CE2 3.99Å; I465-F645 HydrophobicContact CD1-CG 4.41Å; M566-F645 HydrophobicContact CE-CD1 3.52Å; M566-F645 HydrophobicContact CE-CE1 3.53Å; M566-F645 HydrophobicContact CE-CG 4.21Å; M566-F645 HydrophobicContact CE-CZ 4.21Å; M566-F645 HydrophobicContact SD-CD1 3.94Å; M566-F645 HydrophobicContact SD-CD2 4.22Å; M566-F645 HydrophobicContact SD-CE1 3.81Å; M566-F645 HydrophobicContact SD-CE2 4.09Å; M566-F645 HydrophobicContact SD-CG 4.14Å; M566-F645 HydrophobicContact SD-CZ 3.88Å |
| 646 | S | 40.4 | Very low | 51 | Low | 83 Ų | 83 | 95 Ų | 95 | 58% | 0.58 | 51% | 0.511 | S | S | * | . | trans | -97.8 | 17.1 | -164 | -51.8 | 0 | 0 | 0 | 0 | 115.8 | S644 R648 | S644-S646 PolarHBondContact O-N 3.12Å; S646-R648 VanDerWaalsContact C-N 3.27Å; S646-R648 PolarHBondContact O-N 2.84Å | ||
| 647 | N | 37.7 | Very low | 48.8 | Very low | 137 Ų | 137 | 102.7 Ų | 102.7 | 73% | 0.733 | 55% | 0.549 | S | S | * | . | trans | -77.5 | 78.3 | 177.4 | -83.9 | -7.2 | 0 | 0 | 0 | 111.6 | S649 | N647-S649 PolarHBondContact O-N 3.29Š| ||
| 648 | R | 39.4 | Very low | 46.7 | Very low | 161 Ų | 161 | 110.2 Ų | 110.2 | 61% | 0.608 | 59% | 0.588 | S | S | * | * | trans | -71.6 | 105.7 | 159.8 | -75.9 | -174.4 | 177.8 | -168.8 | 1.2 | 108.7 | H569 S646 | H569-R648 PolarHBondContact ND1-NH2 2.99Å; S646-R648 VanDerWaalsContact C-N 3.27Å; S646-R648 PolarHBondContact O-N 2.84Å | ||
| 649 | S | 36.1 | Very low | 44.7 | Very low | 96 Ų | 96 | 118 Ų | 118 | 67% | 0.671 | 61% | 0.612 | S | S | * | * | trans | -112.7 | 73.9 | 162.1 | -63.7 | 0 | 0 | 0 | 0 | 109 | N647 M651 | N647-S649 PolarHBondContact O-N 3.29Å; S649-M651 PolarHBondContact O-N 3.28Å | ||
| 650 | T | 39.6 | Very low | 42.7 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 52% | 0.515 | 63% | 0.625 | S | S | . | * | trans | -76.4 | 104.6 | 170.8 | 39.5 | 0 | 0 | 0 | 0 | 109.1 | N652 | T650-N652 PolarHBondContact O-N 3.13Š| ||
| 651 | M | 40.3 | Very low | 41.2 | Very low | 53 Ų | 53 | 128 Ų | 128 | 26% | 0.261 | 66% | 0.659 | S | S | . | * | trans | -63.8 | 101.4 | 173.4 | -73.9 | -154.1 | 156.8 | 0 | 0 | 110.3 | S649 L653 E805 D814 | S649-M651 PolarHBondContact O-N 3.28Å; M651-L653 PolarHBondContact O-N 3.08Å; M651-E805 WeakPolarHBondContact CE-OE2 3.29Å; M651-E805 WeakPolarHBondContact CG-OE2 3.08Å; M651-D814 HydrophobicContact CE-CB 4.1Å; M651-D814 HydrophobicContact SD-CB 4.46Å | ||
| 652 | N | 41.2 | Very low | 40 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 65% | 0.652 | 69% | 0.687 | S | S | * | * | trans | -89.5 | 93.2 | 172.6 | -85.7 | -37.1 | 0 | 0 | 0 | 108.8 | T650 R654 | T650-N652 PolarHBondContact O-N 3.13Å; N652-R654 PolarHBondContact O-N 3.01Å | ||
| 653 | L | 42.1 | Very low | 39.9 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 50% | 0.503 | 67% | 0.674 | S | S | . | * | trans | -65.2 | 75.5 | 162.4 | -81.7 | 141.4 | 0 | 0 | 0 | 109.4 | M651 M803 | M651-L653 PolarHBondContact O-N 3.08Å; L653-M803 HydrophobicContact CD2-CE 3.5Å; L653-M803 VanDerWaalsContact CD2-CE 3.5Å | ||
| 654 | R | 37.9 | Very low | 39.6 | Very low | 229 Ų | 229 | 132.4 Ų | 132.4 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | -82.4 | 114.3 | 166.6 | -86.1 | -168.9 | 175.4 | -161.8 | 0.1 | 108.7 | N652 G656 | N652-R654 PolarHBondContact O-N 3.01Å; R654-G656 PolarHBondContact O-N 3.41Å | ||
| 655 | G | 35 | Very low | 39.7 | Very low | 75 Ų | 75 | 139.3 Ų | 139.3 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | -58.9 | 116.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q657 | G655-Q657 PolarHBondContact O-N 2.85Š| ||
| 656 | G | 33.2 | Very low | 39.6 | Very low | 72 Ų | 72 | 148.2 Ų | 148.2 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | trans | -69.8 | 119 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | R654 L658 | R654-G656 PolarHBondContact O-N 3.41Å; G656-L658 PolarHBondContact O-N 2.7Å | ||
| 657 | Q | 36.5 | Very low | 40.3 | Very low | 200 Ų | 200 | 148 Ų | 148 | 94% | 0.935 | 72% | 0.72 | S | S | * | * | trans | -62.6 | 102.6 | 176.1 | -72.9 | -176.9 | -21.7 | 0 | 0 | 110.4 | G655 | G655-Q657 PolarHBondContact O-N 2.85Š| ||
| 658 | L | 37.6 | Very low | 41.3 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 89% | 0.89 | 72% | 0.719 | S | S | * | * | trans | -110.1 | 134.8 | 159.4 | -79.2 | 163.6 | 0 | 0 | 0 | 108.5 | G656 | G656-L658 PolarHBondContact O-N 2.7Š| ||
| 659 | R | 38.1 | Very low | 42.2 | Very low | 239 Ų | 239 | 139.5 Ų | 139.5 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 143.7 | -173.2 | -75.6 | 179.7 | 173.4 | 179.7 | -2.2 | 112 | R661 | R659-R661 PolarHBondContact O-N 2.94Š|
| 660 | P | 34.9 | Very low | 43.7 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 122.2 | -173.6 | 28.6 | -33.8 | 0 | 0 | 0 | 110.6 | ||
| 661 | R | 40.9 | Very low | 45.1 | Very low | 236 Ų | 236 | 139.8 Ų | 139.8 | 89% | 0.891 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 127.3 | 157.4 | -91.5 | -177.4 | 151.6 | 172.7 | -5.9 | 107.3 | R659 L663 | R659-R661 PolarHBondContact O-N 2.94Å; R661-L663 PolarHBondContact O-N 2.85Å |
| 662 | T | 39.9 | Very low | 46.6 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 85% | 0.847 | 68% | 0.679 | S | S | * | * | trans | -56.6 | 100 | 178.8 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | R664 | T662-R664 PolarHBondContact O-N 2.87Š| ||
| 663 | L | 42.5 | Very low | 48.2 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 49% | 0.487 | 65% | 0.652 | S | S | . | * | trans | -65.6 | 115.9 | 170.4 | -81.5 | 156.5 | 0 | 0 | 0 | 109 | R661 E770 | R661-L663 PolarHBondContact O-N 2.85Å; L663-E770 HydrophobicContact CD2-CG 3.91Å | ||
| 664 | R | 47.1 | Very low | 49.8 | Very low | 234 Ų | 234 | 132.3 Ų | 132.3 | 88% | 0.883 | 64% | 0.644 | S | S | * | * | trans | -90 | 124.5 | 173.1 | -93.8 | -176.7 | 170.9 | -176.8 | -2 | 108.7 | T662 | T662-R664 PolarHBondContact O-N 2.87Š| ||
| 665 | R | 44.9 | Very low | 51.3 | Low | 230 Ų | 230 | 129.9 Ų | 129.9 | 87% | 0.868 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 68.1 | 87.9 | 171.7 | -156.8 | -176 | -121.9 | -177.1 | -0.1 | 113.9 | M667 | R665-M667 PolarHBondContact O-N 3.3Š|
| 666 | R | 46.6 | Very low | 53 | Low | 239 Ų | 239 | 127.6 Ų | 127.6 | 90% | 0.902 | 61% | 0.61 | S | S | * | * | trans | -45.9 | 110.3 | 169.9 | -81.2 | -179.6 | 168.8 | 174 | -5.8 | 110.7 | ||||
| 667 | M | 54.3 | Low | 55.1 | Low | 78 Ų | 78 | 126.7 Ų | 126.7 | 38% | 0.384 | 58% | 0.584 | S | S | . | * | trans | -70.7 | 131.6 | 163.3 | -66.9 | -153.7 | 63.1 | 0 | 0 | 108.3 | R665 K767 | R665-M667 PolarHBondContact O-N 3.3Å; M667-K767 HydrophobicContact CE-CD 4.18Å; M667-K767 VanDerWaalsContact CE-CE 3.47Å; M667-K767 HydrophobicContact CE-CG 4.46Å; M667-K767 HydrophobicContact SD-CD 4.38Å; M667-K767 HydrophobicContact SD-CG 4.08Å | ||
| 668 | S | 58.5 | Low | 57 | Low | 101 Ų | 101 | 119.4 Ų | 119.4 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | trans | -107.1 | 105.3 | 179.8 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | K670 | S668-K670 VanDerWaalsContact OG-CB 3.24Å; S668-K670 WeakPolarHBondContact OG-CB 3.43Å; S668-K670 PolarHBondContact OG-N 3.34Å | ||
| 669 | C | 60 | Low | 58.8 | Low | 20 Ų | 20 | 112 Ų | 112 | 14% | 0.135 | 52% | 0.517 | C | S | . | . | trans | -81.8 | 1.5 | 163.1 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | G671 A672 D786 I787 | C669-G671 PolarHBondContact O-N 2.92Å; C669-A672 WeakPolarHBondContact O-CB 3.23Å; C669-A672 PolarHBondContact O-N 2.88Å; C669-D786 HydrophobicContact CB-CB 4.36Å; C669-D786 WeakPolarHBondContact O-CB 3.41Å; C669-I787 WeakPolarHBondContact SG-CG1 3.46Å | ||
| 670 | K | 67.1 | Low | 60.2 | Low | 171 Ų | 171 | 105.3 Ų | 105.3 | 74% | 0.743 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 124.3 | -177.5 | -166.1 | 173.7 | -178.1 | 176.6 | 0 | 112.1 | S668 D786 | S668-K670 VanDerWaalsContact OG-CB 3.24Å; S668-K670 WeakPolarHBondContact OG-CB 3.43Å; S668-K670 PolarHBondContact OG-N 3.34Å; K670-D786 VanDerWaalsContact CA-OD2 3.29Å; K670-D786 WeakPolarHBondContact CA-OD2 3.43Å |
| 671 | G | 67.9 | Low | 61.3 | Low | 15 Ų | 15 | 99.8 Ų | 99.8 | 16% | 0.155 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 18.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C669 I673 K674 K675 D786 | C669-G671 PolarHBondContact O-N 2.92Å; G671-I673 VanDerWaalsContact C-N 3.29Å; G671-K674 PolarHBondContact O-N 3.27Å; G671-K675 VanDerWaalsContact O-CG 3.31Å; G671-K675 WeakPolarHBondContact O-CG 3.37Å; G671-K675 PolarHBondContact O-N 3.02Å; G671-D786 PolarHBondContact N-OD2 3.43Å |
| 672 | A | 72.2 | Confident | 61.9 | Low | 22 Ų | 22 | 93 Ų | 93 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | C669 K674 K675 D786 | C669-A672 WeakPolarHBondContact O-CB 3.23Å; C669-A672 PolarHBondContact O-N 2.88Å; A672-K674 VanDerWaalsContact C-N 3.33Å; A672-K674 PolarHBondContact O-N 3.45Å; A672-K675 PolarHBondContact O-N 2.85Å; A672-D786 HydrophobicContact CB-CB 4.16Å; A672-D786 PolarHBondContact N-OD1 3.43Å |
| 673 | I | 75.4 | Confident | 62.3 | Low | 17 Ų | 17 | 89.2 Ų | 89.2 | 9% | 0.087 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 174.9 | -58.1 | 176.9 | 0 | 0 | 0 | 111.3 | G671 K675 T676 D786 Q789 L831 H834 | G671-I673 VanDerWaalsContact C-N 3.29Å; I673-K675 VanDerWaalsContact C-N 3.33Å; I673-K675 PolarHBondContact O-N 3.25Å; I673-T676 PolarHBondContact O-OG1 3.07Å; I673-D786 WeakPolarHBondContact CG1-OD1 3.34Å; I673-D786 PolarHBondContact N-OD1 2.96Å; I673-Q789 HydrophobicContact CG1-CB 4.37Å; I673-L831 HydrophobicContact CD1-CD1 3.92Å; I673-H834 VanDerWaalsContact CD1-CD2 3.46Å; I673-H834 WeakPolarHBondContact CD1-CD2 3.46Å; I673-H834 WeakPolarHBondContact CG1-NE2 3.43Å |
| 674 | K | 74.8 | Confident | 62.3 | Low | 75 Ų | 75 | 91.1 Ų | 91.1 | 33% | 0.326 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.9 | -33.3 | -179.3 | -65.3 | -166.5 | 177.5 | -158.1 | 0 | 112.1 | G671 A672 T676 R677 E949 | G671-K674 PolarHBondContact O-N 3.27Å; A672-K674 VanDerWaalsContact C-N 3.33Å; A672-K674 PolarHBondContact O-N 3.45Å; K674-T676 VanDerWaalsContact C-N 3.28Å; K674-T676 PolarHBondContact O-N 3.09Å; K674-R677 WeakPolarHBondContact O-CB 3.37Å; K674-R677 PolarHBondContact O-N 2.96Å; K674-E949 VanDerWaalsContact CE-OE1 3.27Å; K674-E949 WeakPolarHBondContact CE-OE1 3.44Å; K674-E949 IonicContact NZ-OE1 3.94Å; K674-E949 PolarHBondContact NZ-OE1 3.1Å; K674-E949 IonicContact NZ-OE2 3.58Å; K674-E949 PolarHBondContact NZ-OE2 3.37Å |
| 675 | K | 70.8 | Confident | 62.2 | Low | 178 Ų | 178 | 82.3 Ų | 82.3 | 77% | 0.774 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -70.4 | -19.6 | -179.5 | -75 | 172 | -175.7 | 178.6 | 0 | 114.3 | G671 A672 I673 | G671-K675 VanDerWaalsContact O-CG 3.31Å; G671-K675 WeakPolarHBondContact O-CG 3.37Å; G671-K675 PolarHBondContact O-N 3.02Å; A672-K675 PolarHBondContact O-N 2.85Å; I673-K675 VanDerWaalsContact C-N 3.33Å; I673-K675 PolarHBondContact O-N 3.25Å |
| 676 | T | 70.9 | Confident | 62.1 | Low | 27 Ų | 27 | 74.5 Ų | 74.5 | 17% | 0.166 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -5.5 | 177.6 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | I673 K674 D891 D892 | I673-T676 PolarHBondContact O-OG1 3.07Å; K674-T676 VanDerWaalsContact C-N 3.28Å; K674-T676 PolarHBondContact O-N 3.09Å; T676-D891 HydrophobicContact CG2-CB 4.18Å; T676-D892 WeakPolarHBondContact O-CB 3.38Å; T676-D892 VanDerWaalsContact O-CG 3.26Å |
| 677 | R | 77 | Confident | 61.9 | Low | 53 Ų | 53 | 64.6 Ų | 64.6 | 20% | 0.2 | 35% | 0.352 | C | S | . | . | trans | -72.1 | 134 | -175 | -65.8 | -179.1 | -179.7 | 178.6 | -0.1 | 112.9 | K674 D892 L952 | K674-R677 WeakPolarHBondContact O-CB 3.37Å; K674-R677 PolarHBondContact O-N 2.96Å; R677-D892 WeakPolarHBondContact CA-OD2 3.16Å; R677-L952 HydrophobicContact CG-CD1 4.43Å | ||
| 678 | S | 75.1 | Confident | 60.9 | Low | 46 Ų | 46 | 67.7 Ų | 67.7 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | trans | -98.6 | -8.2 | -177.9 | -52.9 | 0 | 0 | 0 | 0 | 114.1 | N680 D892 | S678-N680 PolarHBondContact O-N 3.06Å; S678-D892 VanDerWaalsContact CB-OD2 3.28Å; S678-D892 WeakPolarHBondContact CB-OD2 3.39Å; S678-D892 PolarHBondContact N-OD2 2.95Å; S678-D892 WeakPolarHBondContact OG-CB 3.38Å; S678-D892 PolarHBondContact OG-OD2 3.03Å | ||
| 679 | I | 76.1 | Confident | 59.5 | Low | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.082 | 37% | 0.37 | C | S | . | . | trans | -79.7 | 108.1 | -177.9 | -56.2 | 173.3 | 0 | 0 | 0 | 109.5 | V681 M864 T895 I929 A933 S948 L951 | I679-V681 HydrophobicContact CG2-CG2 3.95Å; I679-M864 HydrophobicContact CG1-CE 4.34Å; I679-T895 HydrophobicContact CD1-CG2 4.33Å; I679-T895 HydrophobicContact CG1-CG2 4.12Å; I679-I929 HydrophobicContact CD1-CG2 3.72Å; I679-I929 HydrophobicContact CG1-CG2 3.96Å; I679-A933 HydrophobicContact CG2-CB 4.21Å; I679-S948 WeakPolarHBondContact CB-OG 3.36Å; I679-L951 HydrophobicContact CD1-CD2 4.46Å | ||
| 680 | N | 66.9 | Low | 58.1 | Low | 97 Ų | 97 | 72.6 Ų | 72.6 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | trans | -109.2 | 122.7 | 175.8 | -165.7 | -3.5 | 0 | 0 | 0 | 110.7 | S678 | S678-N680 PolarHBondContact O-N 3.06Š| ||
| 681 | V | 58.8 | Low | 56.2 | Low | 10 Ų | 10 | 70 Ų | 70 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | trans | -117 | -16.8 | -173.7 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | I679 A933 K934 G944 | I679-V681 HydrophobicContact CG2-CG2 3.95Å; V681-A933 HydrophobicContact CG2-CB 3.63Å; V681-K934 HydrophobicContact CG1-CD 3.78Å; V681-K934 PolarHBondContact O-NZ 3.23Å; V681-G944 VanDerWaalsContact CB-CA 3.43Å | ||
| 682 | D | 52.8 | Low | 54.3 | Low | 93 Ų | 93 | 75.2 Ų | 75.2 | 50% | 0.497 | 43% | 0.428 | S | S | . | . | trans | -94.1 | -2.8 | -169.1 | -68.2 | -40.5 | 0 | 0 | 0 | 114.9 | D684 G944 | D682-D684 PolarHBondContact O-N 3.24Å; D682-G944 VanDerWaalsContact OD1-CA 3.27Å; D682-G944 WeakPolarHBondContact OD1-CA 3.24Å; D682-G944 PolarHBondContact OD1-N 3.27Å | ||
| 683 | S | 48.5 | Very low | 52.3 | Low | 59 Ų | 59 | 79.5 Ų | 79.5 | 41% | 0.413 | 45% | 0.454 | S | S | . | . | trans | -78.1 | 103 | 165.8 | -61.8 | 0 | 0 | 0 | 0 | 109.2 | N685 | S683-N685 WeakPolarHBondContact CB-O 3.32Å; S683-N685 CarbonylContact O-C 3.32Å; S683-N685 PolarHBondContact O-N 2.7Å | ||
| 684 | D | 42.2 | Very low | 50.4 | Low | 133 Ų | 133 | 86.8 Ų | 86.8 | 71% | 0.711 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -59.8 | -1.2 | 171.8 | -83.1 | -26.8 | 0 | 0 | 0 | 114.1 | D682 K934 | D682-D684 PolarHBondContact O-N 3.24Å; D684-K934 IonicContact OD1-NZ 3.23Å |
| 685 | N | 45.5 | Very low | 48.1 | Very low | 49 Ų | 49 | 89.7 Ų | 89.7 | 26% | 0.262 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -123.8 | 112 | 163.3 | -66.3 | -47.1 | 0 | 0 | 0 | 108.9 | S683 G687 M688 | S683-N685 WeakPolarHBondContact CB-O 3.32Å; S683-N685 CarbonylContact O-C 3.32Å; S683-N685 PolarHBondContact O-N 2.7Å; N685-G687 VanDerWaalsContact C-N 3.32Å; N685-G687 PolarHBondContact O-N 3.1Å; N685-M688 HydrophobicContact CB-CB 4.41Å; N685-M688 HydrophobicContact CB-CG 4.34Å |
| 686 | L | 42.3 | Very low | 46.3 | Very low | 66 Ų | 66 | 90.1 Ų | 90.1 | 35% | 0.346 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 97.3 | 161 | -73.1 | 161.3 | 0 | 0 | 0 | 107.9 | P1087 | L686-P1087 HydrophobicContact CD1-CG 3.7Š|
| 687 | G | 42.3 | Very low | 44 | Very low | 31 Ų | 31 | 100 Ų | 100 | 32% | 0.32 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 104.4 | 38.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 119 | N685 | N685-G687 VanDerWaalsContact C-N 3.32Å; N685-G687 PolarHBondContact O-N 3.1Å |
| 688 | M | 33.6 | Very low | 41.4 | Very low | 143 Ų | 143 | 108.7 Ų | 108.7 | 70% | 0.704 | 59% | 0.588 | S | S | * | * | trans | -120.4 | 48.3 | 168.8 | -69.4 | -65.9 | -71.8 | 0 | 0 | 113.6 | N685 | N685-M688 HydrophobicContact CB-CB 4.41Å; N685-M688 HydrophobicContact CB-CG 4.34Å | ||
| 689 | E | 30.2 | Very low | 39 | Very low | 162 Ų | 162 | 115.4 Ų | 115.4 | 76% | 0.757 | 62% | 0.619 | S | S | * | * | trans | -138.3 | 112.1 | 157 | -73.6 | -166.8 | 163.3 | 0 | 0 | 109.4 | ||||
| 690 | G | 29.4 | Very low | 36.5 | Very low | 61 Ų | 61 | 119.7 Ų | 119.7 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -72 | 168.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111 | S692 | G690-S692 PolarHBondContact O-N 3.41Š|
| 691 | P | 27.6 | Very low | 34.5 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 131.8 | -177.2 | 26.6 | -32.1 | 0 | 0 | 0 | 109.7 | P693 | P691-P693 WeakPolarHBondContact O-CD 3.32Š|
| 692 | S | 27 | Very low | 33.1 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.2 | 166.3 | -67.9 | 0 | 0 | 0 | 0 | 109.2 | G690 | G690-S692 PolarHBondContact O-N 3.41Š|
| 693 | P | 31.4 | Very low | 31.9 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -127.5 | 140.8 | 133.9 | 30.6 | -17.4 | 0 | 0 | 0 | 111.2 | P691 T695 | P691-P693 WeakPolarHBondContact O-CD 3.32Å; P693-T695 PolarHBondContact O-N 2.97Å | ||
| 694 | L | 35.2 | Very low | 31.1 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 90% | 0.895 | 71% | 0.707 | S | S | * | * | trans | -48.4 | 111.4 | 159.2 | -69.5 | 156.6 | 0 | 0 | 0 | 108.7 | ||||
| 695 | T | 25.6 | Very low | 31 | Very low | 136 Ų | 136 | 125 Ų | 125 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | trans | 170 | 129.1 | 134.2 | -56.1 | 0 | 0 | 0 | 0 | 108.2 | P693 R697 | P693-T695 PolarHBondContact O-N 2.97Å; T695-R697 PolarHBondContact O-N 3.21Å | ||
| 696 | E | 33.8 | Very low | 30.6 | Very low | 186 Ų | 186 | 128 Ų | 128 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | trans | -48.9 | 124.7 | 174.9 | -69.6 | 174.4 | 137 | 0 | 0 | 112.9 | ||||
| 697 | R | 22.3 | Very low | 31 | Very low | 234 Ų | 234 | 129 Ų | 129 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -163.9 | 116.5 | 143.8 | -110.9 | 168.2 | -163.1 | -163 | 5.5 | 114.1 | T695 | T695-R697 PolarHBondContact O-N 3.21Š| ||
| 698 | R | 23.8 | Very low | 30.8 | Very low | 236 Ų | 236 | 132.8 Ų | 132.8 | 89% | 0.891 | 73% | 0.725 | S | S | * | * | trans | 41.8 | 104.7 | 146.8 | -64.7 | -175 | -171.6 | -164.5 | 1.7 | 118.5 | S700 | R698-S700 PolarHBondContact O-N 2.8Å; R698-S700 VanDerWaalsContact O-N 3.08Å | ||
| 699 | L | 23.8 | Very low | 30.9 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 98% | 0.979 | 72% | 0.717 | S | S | * | * | trans | -38.5 | 107.1 | 151.6 | -73.4 | 150.8 | 0 | 0 | 0 | 111.7 | ||||
| 700 | S | 24.4 | Very low | 30.9 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -90.8 | 117.4 | 157.3 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | R698 I702 | R698-S700 PolarHBondContact O-N 2.8Å; R698-S700 VanDerWaalsContact O-N 3.08Å; S700-I702 PolarHBondContact O-N 3.31Å | ||
| 701 | S | 24.6 | Very low | 31 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -49 | 118.3 | 174.1 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | V703 | S701-V703 PolarHBondContact O-N 3Š| ||
| 702 | I | 28.5 | Very low | 31.1 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | -68 | 113.5 | 165.6 | -65.9 | 169.3 | 0 | 0 | 0 | 107.2 | S700 | S700-I702 PolarHBondContact O-N 3.31Š| ||
| 703 | V | 28.2 | Very low | 31.2 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 122.6 | 168.7 | 178.6 | 0 | 0 | 0 | 0 | 106.9 | S701 | S701-V703 PolarHBondContact O-N 3Š|
| 704 | P | 31.6 | Very low | 30.9 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 42% | 0.416 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 148.5 | 176.6 | 24 | -30.8 | 0 | 0 | 0 | 110.5 | L708 | P704-L708 HydrophobicContact CB-CB 4.14Š|
| 705 | P | 39.4 | Very low | 30.5 | Very low | 58 Ų | 58 | 141 Ų | 141 | 38% | 0.377 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -49.8 | 148.5 | 176.3 | -25.9 | 32 | 0 | 0 | 0 | 112.1 | W707 L708 | P705-W707 HydrophobicContact CB-CD2 4.31Å; P705-W707 HydrophobicContact CB-CG 4.35Å; P705-W707 HydrophobicContact CB-CZ2 4.19Å; P705-W707 VanDerWaalsContact CB-NE1 3.29Å; P705-W707 HydrophobicContact CG-CZ2 4.24Å; P705-W707 PolarHBondContact O-N 3.24Å; P705-L708 HydrophobicContact CG-CD1 4.32Å; P705-L708 PolarHBondContact O-N 3.29Å |
| 706 | P | 38.7 | Very low | 30.5 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -53.6 | -28.4 | -172.8 | -26.5 | 33.3 | 0 | 0 | 0 | 114.8 | Q709 | P706-Q709 PolarHBondContact O-N 3.44Š|
| 707 | W | 49.1 | Very low | 30 | Very low | 88 Ų | 88 | 137.1 Ų | 137.1 | 33% | 0.333 | 73% | 0.731 | S | S | . | * | G | 310 helix | trans | -82 | -7.4 | -177.6 | 54.6 | -97.5 | 0 | 0 | 0 | 114.8 | P705 H1120 H1123 | P705-W707 HydrophobicContact CB-CD2 4.31Å; P705-W707 HydrophobicContact CB-CG 4.35Å; P705-W707 HydrophobicContact CB-CZ2 4.19Å; P705-W707 VanDerWaalsContact CB-NE1 3.29Å; P705-W707 HydrophobicContact CG-CZ2 4.24Å; P705-W707 PolarHBondContact O-N 3.24Å; W707-H1120 AromaticContact CD2-ND1 3.63Å; W707-H1120 AromaticContact CE3-CE1 3.96Å; W707-H1120 AromaticContact CE3-ND1 3.31Å; W707-H1120 VanDerWaalsContact CE3-ND1 3.31Å; W707-H1120 AromaticContact CZ3-ND1 3.86Å; W707-H1123 AromaticContact CH2-CD2 3.72Å; W707-H1123 HydrophobicContact CZ3-CB 4.3Å |
| 708 | L | 38.7 | Very low | 30.2 | Very low | 110 Ų | 110 | 131 Ų | 131 | 58% | 0.576 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -90.2 | -1.6 | 171.5 | -94.2 | 149.1 | 0 | 0 | 0 | 112.8 | P704 P705 | P704-L708 HydrophobicContact CB-CB 4.14Å; P705-L708 HydrophobicContact CG-CD1 4.32Å; P705-L708 PolarHBondContact O-N 3.29Å |
| 709 | Q | 35.3 | Very low | 30.3 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 54% | 0.537 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -93.3 | 131.4 | -179.5 | -60.6 | -175.6 | 9.1 | 0 | 0 | 111.3 | P706 N711 | P706-Q709 PolarHBondContact O-N 3.44Å; Q709-N711 PolarHBondContact O-N 2.68Å |
| 710 | A | 30.6 | Very low | 30.5 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | trans | -71.2 | 127.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | K712 | A710-K712 PolarHBondContact O-N 3.12Š| ||
| 711 | N | 30.5 | Very low | 30.5 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 88% | 0.877 | 71% | 0.711 | S | S | * | * | trans | -43.3 | 121.7 | 175.8 | -98.3 | -21.9 | 0 | 0 | 0 | 113.9 | Q709 | Q709-N711 PolarHBondContact O-N 2.68Š| ||
| 712 | K | 30.5 | Very low | 30.6 | Very low | 204 Ų | 204 | 127.6 Ų | 127.6 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | trans | -127.1 | 126.4 | 152.4 | -82.5 | -174.4 | 177.1 | 178.9 | 0 | 108.9 | A710 | A710-K712 PolarHBondContact O-N 3.12Š| ||
| 713 | Q | 28.3 | Very low | 31.7 | Very low | 187 Ų | 187 | 125.1 Ų | 125.1 | 87% | 0.874 | 71% | 0.709 | S | S | * | * | trans | -70.6 | 137.7 | -177.1 | -76.5 | 174.9 | -25.3 | 0 | 0 | 113.2 | ||||
| 714 | S | 26.6 | Very low | 31.5 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | trans | 57.7 | 116 | 142.4 | 62.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 715 | H | 26 | Very low | 31.1 | Very low | 195 Ų | 195 | 132.7 Ų | 132.7 | 90% | 0.903 | 73% | 0.731 | S | S | * | * | -151.5 | 142 | 111.8 | -114 | -84.2 | 0 | 0 | 0 | 111.6 | |||||
| 716 | V | 26.7 | Very low | 30.6 | Very low | 123 Ų | 123 | 133 Ų | 133 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | trans | -80.8 | 142.2 | -172.4 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | V718 | V716-V718 HydrophobicContact CG1-CG2 4.25Š| ||
| 717 | S | 23.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -154.6 | 123.8 | 138.3 | -176.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 718 | V | 26.6 | Very low | 29.3 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | trans | -78.9 | 141 | 177 | 173.9 | 0 | 0 | 0 | 0 | 109.4 | V716 | V716-V718 HydrophobicContact CG1-CG2 4.25Š| ||
| 719 | F | 25.4 | Very low | 28.7 | Very low | 208 Ų | 208 | 136.1 Ų | 136.1 | 91% | 0.912 | 78% | 0.784 | S | S | * | * | trans | -163.6 | 123.5 | 131.6 | -108.1 | -75.5 | 0 | 0 | 0 | 110.4 | ||||
| 720 | A | 26.8 | Very low | 28.4 | Very low | 78 Ų | 78 | 136 Ų | 136 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | trans | -90.2 | 151.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 721 | T | 26.3 | Very low | 29.2 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -174.3 | 139 | 135.7 | 18.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 722 | T | 25 | Very low | 29 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -84.1 | -161.7 | 178.7 | 48.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 723 | P | 52 | Low | 28.7 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | -103.1 | 175 | -115.7 | 30.1 | -7.5 | 0 | 0 | 0 | 112.6 | |||||
| 724 | E | 23.6 | Very low | 28.6 | Very low | 165 Ų | 165 | 130 Ų | 130 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | trans | 171.2 | 143.9 | 137 | -98.7 | 179.8 | 178.8 | 0 | 0 | 114.9 | ||||
| 725 | E | 23.9 | Very low | 28.5 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 69.3 | 125.3 | 140.2 | -68.2 | -177.4 | 165.3 | 0 | 0 | 122.5 | ||||
| 726 | G | 27.9 | Very low | 28.4 | Very low | 66 Ų | 66 | 126.8 Ų | 126.8 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | -69.8 | -176.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 727 | P | 36 | Very low | 28.5 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | -154.7 | 162.5 | 74.4 | 39.7 | -19.1 | 0 | 0 | 0 | 117.5 | |||||
| 728 | T | 26 | Very low | 28.6 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 33.7 | 126.9 | 142.7 | 61 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 729 | S | 26.1 | Very low | 28.8 | Very low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | -162.2 | 136.7 | 116.2 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 730 | S | 28.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -123 | 180 | 164.8 | -38 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 731 | P | 47.9 | Very low | 28.6 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | cis | -148.2 | -165 | 13.4 | 34 | -7.7 | 0 | 0 | 0 | 115.9 | ||||
| 732 | L | 25.8 | Very low | 28.7 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | 103.3 | 138.1 | 159 | -56.1 | 162.3 | 0 | 0 | 0 | 115.2 | ||||
| 733 | S | 25.2 | Very low | 28.7 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | cis | 179.1 | 142.8 | -14.5 | 176.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 734 | L | 25.2 | Very low | 27.6 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | trans | 64.4 | 124.4 | 152.7 | -102.8 | 78.3 | 0 | 0 | 0 | 122.3 | ||||
| 735 | G | 23.7 | Very low | 27.9 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | 126.8 | 105.1 | 117.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 736 | N | 25.4 | Very low | 28.1 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | 71.2 | 125.9 | 146.5 | -73.8 | 16.4 | 0 | 0 | 0 | 122.9 | ||||
| 737 | D | 28.6 | Very low | 28.2 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 19.3 | 127.8 | 133.9 | -63.3 | -35.8 | 0 | 0 | 0 | 118.9 | ||||
| 738 | L | 25.6 | Very low | 28.1 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | 166.3 | 131.6 | 117.3 | -83.1 | 160.4 | 0 | 0 | 0 | 110.8 | |||||
| 739 | I | 30.8 | Very low | 28.4 | Very low | 143 Ų | 143 | 143 Ų | 143 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | 37.6 | 108.1 | 140.8 | -51.4 | 173.4 | 0 | 0 | 0 | 116.2 | E741 | I739-E741 HydrophobicContact CG2-CG 4.37Š| ||
| 740 | R | 24.1 | Very low | 28.8 | Very low | 250 Ų | 250 | 145.4 Ų | 145.4 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -100.3 | 90.4 | 169.4 | -146.3 | 176.7 | -170.6 | -177.7 | 2.1 | 110.6 | ||||
| 741 | E | 24.3 | Very low | 29.3 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -61.7 | 144.2 | 156.1 | -75.6 | -179.7 | 149.2 | 0 | 0 | 110.3 | I739 I743 | I739-E741 HydrophobicContact CG2-CG 4.37Å; E741-I743 PolarHBondContact O-N 3.41Å | ||
| 742 | N | 26.5 | Very low | 28.7 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -65.1 | 115.1 | 173.4 | -73.7 | -38.5 | 0 | 0 | 0 | 110.7 | ||||
| 743 | I | 27 | Very low | 29.4 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | trans | -103.4 | 105.4 | 167.8 | -61.3 | 175 | 0 | 0 | 0 | 108.2 | E741 | E741-I743 PolarHBondContact O-N 3.41Š| ||
| 744 | Y | 28.9 | Very low | 30.2 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -72 | 150.1 | 158.2 | -74.8 | -89 | 0 | 0 | 0 | 109.9 | V746 | Y744-V746 PolarHBondContact O-N 3.29Š|
| 745 | P | 28.3 | Very low | 31.2 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 127.9 | 174.1 | 27.8 | -30.6 | 0 | 0 | 0 | 110.9 | ||
| 746 | V | 27.9 | Very low | 32.1 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 119.2 | 175 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | Y744 | Y744-V746 PolarHBondContact O-N 3.29Š|
| 747 | D | 30.1 | Very low | 33 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 125.5 | 167.4 | -163.4 | -4.7 | 0 | 0 | 0 | 109.4 | H749 | D747-H749 PolarHBondContact O-N 2.98Å; D747-H749 VanDerWaalsContact O-N 3.11Å |
| 748 | P | 34.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -88.9 | 72.2 | -170.1 | 34.6 | -34.7 | 0 | 0 | 0 | 112.6 | ||
| 749 | H | 33.1 | Very low | 34.8 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 78% | 0.782 | 73% | 0.731 | S | S | * | * | trans | -149.1 | 77.9 | 164.2 | -77 | -57.7 | 0 | 0 | 0 | 113.2 | D747 | D747-H749 PolarHBondContact O-N 2.98Å; D747-H749 VanDerWaalsContact O-N 3.11Å | ||
| 750 | H | 33.7 | Very low | 35.8 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | trans | -139.1 | 99.5 | 159.5 | -100.1 | -51.5 | 0 | 0 | 0 | 112.8 | ||||
| 751 | S | 38.5 | Very low | 37.1 | Very low | 131 Ų | 131 | 139 Ų | 139 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | trans | -121.4 | 84.1 | 140.8 | -83.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 752 | R | 34.8 | Very low | 38.5 | Very low | 207 Ų | 207 | 134.9 Ų | 134.9 | 78% | 0.781 | 69% | 0.69 | S | S | * | * | trans | -129.7 | 136.8 | 162.6 | -85.2 | -171.7 | 175.2 | 177.6 | 0.4 | 109.3 | ||||
| 753 | S | 41.2 | Very low | 39.9 | Very low | 72 Ų | 72 | 136 Ų | 136 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | trans | -68.6 | 151.6 | -157 | 50.7 | 0 | 0 | 0 | 0 | 116.1 | I755 D756 | S753-I755 PolarHBondContact O-N 3.1Å; S753-D756 PolarHBondContact O-N 2.93Å; S753-D756 VanDerWaalsContact O-N 3.09Å | ||
| 754 | A | 42.9 | Very low | 41.4 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -54.3 | -7.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 755 | I | 44.5 | Very low | 42.9 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 66% | 0.656 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -78.2 | -26.4 | 176.8 | -64.2 | 169.9 | 0 | 0 | 0 | 111.8 | S753 S759 | S753-I755 PolarHBondContact O-N 3.1Å; I755-S759 PolarHBondContact O-N 3.03Å; I755-S759 PolarHBondContact O-OG 3.23Å |
| 756 | D | 44.4 | Very low | 44.4 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 45% | 0.449 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -74.4 | -42.3 | 179.7 | -125.5 | -11.1 | 0 | 0 | 0 | 111.4 | S753 R758 S759 E760 | S753-D756 PolarHBondContact O-N 2.93Å; S753-D756 VanDerWaalsContact O-N 3.09Å; D756-R758 VanDerWaalsContact C-N 3.29Å; D756-R758 PolarHBondContact O-N 3.02Å; D756-S759 PolarHBondContact O-N 3.49Å; D756-S759 VanDerWaalsContact O-N 3.1Å; D756-E760 PolarHBondContact O-N 3.18Å |
| 757 | R | 44.3 | Very low | 46.5 | Very low | 205 Ų | 205 | 125.1 Ų | 125.1 | 77% | 0.774 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.1 | -33.2 | 176.2 | -71.6 | -173 | -179.9 | -170.9 | -0.7 | 113.4 | F761 | R757-F761 WeakPolarHBondContact O-CB 3.44Å; R757-F761 PolarHBondContact O-N 3.33Å; R757-F761 VanDerWaalsContact O-N 3.09Å |
| 758 | R | 42.7 | Very low | 48.6 | Very low | 201 Ų | 201 | 119 Ų | 119 | 76% | 0.758 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -74.4 | -32.5 | 176.5 | -130.6 | 178.1 | -173.6 | -179.7 | 1.5 | 111.7 | D756 V762 | D756-R758 VanDerWaalsContact C-N 3.29Å; D756-R758 PolarHBondContact O-N 3.02Å; R758-V762 VanDerWaalsContact O-CG2 3.23Å; R758-V762 WeakPolarHBondContact O-CG2 3.21Å; R758-V762 PolarHBondContact O-N 3.23Å |
| 759 | S | 48.6 | Very low | 50.5 | Low | 52 Ų | 52 | 120.6 Ų | 120.6 | 36% | 0.364 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -75.3 | -35.4 | 175.1 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | I755 D756 R763 | I755-S759 PolarHBondContact O-N 3.03Å; I755-S759 PolarHBondContact O-OG 3.23Å; D756-S759 PolarHBondContact O-N 3.49Å; D756-S759 VanDerWaalsContact O-N 3.1Å; S759-R763 WeakPolarHBondContact O-CB 3.2Å; S759-R763 VanDerWaalsContact O-CG 3.32Å; S759-R763 WeakPolarHBondContact O-CG 3.3Å; S759-R763 PolarHBondContact O-N 2.88Å |
| 760 | E | 50.7 | Low | 52.6 | Low | 116 Ų | 116 | 114.7 Ų | 114.7 | 54% | 0.542 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.5 | -45.6 | 171.9 | -78.6 | 180 | 152.9 | 0 | 0 | 111.7 | D756 V762 R763 Q764 | D756-E760 PolarHBondContact O-N 3.18Å; E760-V762 PolarHBondContact O-N 3.45Å; E760-R763 PolarHBondContact O-N 3.31Å; E760-Q764 VanDerWaalsContact O-CB 3.32Å; E760-Q764 WeakPolarHBondContact O-CB 3.26Å; E760-Q764 PolarHBondContact O-N 3.07Å |
| 761 | F | 51.8 | Low | 54.9 | Low | 133 Ų | 133 | 106.9 Ų | 106.9 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 177.9 | -168.5 | -95.2 | 0 | 0 | 0 | 112.6 | R757 Q764 Q765 | R757-F761 WeakPolarHBondContact O-CB 3.44Å; R757-F761 PolarHBondContact O-N 3.33Å; R757-F761 VanDerWaalsContact O-N 3.09Å; F761-Q764 PolarHBondContact O-N 2.93Å; F761-Q765 WeakPolarHBondContact O-CB 3.43Å; F761-Q765 PolarHBondContact O-N 3.43Å |
| 762 | V | 53.8 | Low | 56.9 | Low | 75 Ų | 75 | 101.2 Ų | 101.2 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | R758 E760 Q764 Q765 E766 | R758-V762 VanDerWaalsContact O-CG2 3.23Å; R758-V762 WeakPolarHBondContact O-CG2 3.21Å; R758-V762 PolarHBondContact O-N 3.23Å; E760-V762 PolarHBondContact O-N 3.45Å; V762-Q764 VanDerWaalsContact C-N 3.32Å; V762-Q764 PolarHBondContact O-N 3.39Å; V762-Q765 PolarHBondContact O-N 3.15Å; V762-E766 WeakPolarHBondContact O-CG 3.26Å; V762-E766 PolarHBondContact O-N 3.2Å |
| 763 | R | 57 | Low | 58.9 | Low | 176 Ų | 176 | 93 Ų | 93 | 66% | 0.664 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.2 | -36.7 | 174.2 | -79.3 | -179.7 | -164.9 | 167.5 | 8.4 | 112.7 | S759 E760 Q765 K767 | S759-R763 WeakPolarHBondContact O-CB 3.2Å; S759-R763 VanDerWaalsContact O-CG 3.32Å; S759-R763 WeakPolarHBondContact O-CG 3.3Å; S759-R763 PolarHBondContact O-N 2.88Å; E760-R763 PolarHBondContact O-N 3.31Å; R763-Q765 VanDerWaalsContact C-N 3.34Å; R763-K767 VanDerWaalsContact O-CB 3.23Å; R763-K767 WeakPolarHBondContact O-CB 3.44Å; R763-K767 PolarHBondContact O-N 3.36Å; R763-K767 VanDerWaalsContact O-N 3.08Å |
| 764 | Q | 58.3 | Low | 60.8 | Low | 92 Ų | 92 | 90.7 Ų | 90.7 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.3 | -35.7 | 179.1 | -148.9 | 164 | 7.7 | 0 | 0 | 110.6 | E760 F761 V762 K767 V768 | E760-Q764 VanDerWaalsContact O-CB 3.32Å; E760-Q764 WeakPolarHBondContact O-CB 3.26Å; E760-Q764 PolarHBondContact O-N 3.07Å; F761-Q764 PolarHBondContact O-N 2.93Å; V762-Q764 VanDerWaalsContact C-N 3.32Å; V762-Q764 PolarHBondContact O-N 3.39Å; Q764-K767 PolarHBondContact O-N 3.15Å; Q764-V768 WeakPolarHBondContact O-CG2 3.36Å; Q764-V768 PolarHBondContact O-N 3.23Å; Q764-V768 VanDerWaalsContact O-N 3.13Å |
| 765 | Q | 59.1 | Low | 62.6 | Low | 102 Ų | 102 | 87.4 Ų | 87.4 | 48% | 0.477 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73 | -42.8 | 176.3 | -160.3 | 163.1 | 1.8 | 0 | 0 | 112.8 | F761 V762 R763 K767 V768 E769 | F761-Q765 WeakPolarHBondContact O-CB 3.43Å; F761-Q765 PolarHBondContact O-N 3.43Å; V762-Q765 PolarHBondContact O-N 3.15Å; R763-Q765 VanDerWaalsContact C-N 3.34Å; Q765-K767 VanDerWaalsContact C-N 3.26Å; Q765-K767 PolarHBondContact O-N 3.29Å; Q765-V768 PolarHBondContact O-N 2.87Å; Q765-E769 PolarHBondContact O-N 3.48Å; Q765-E769 VanDerWaalsContact O-N 3.14Å |
| 766 | E | 60.6 | Low | 64.3 | Low | 128 Ų | 128 | 88.1 Ų | 88.1 | 60% | 0.598 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59 | -38.3 | 171.1 | -76.6 | -178.6 | 163.3 | 0 | 0 | 111.7 | V762 E769 E770 | V762-E766 WeakPolarHBondContact O-CG 3.26Å; V762-E766 PolarHBondContact O-N 3.2Å; E766-E769 PolarHBondContact O-N 2.95Å; E766-E770 PolarHBondContact O-N 3.41Å; E766-E770 VanDerWaalsContact O-N 3.11Å |
| 767 | K | 71 | Confident | 65.9 | Low | 60 Ų | 60 | 90.7 Ų | 90.7 | 26% | 0.261 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 177.8 | -173.9 | 176.8 | -179.9 | -177.1 | 0 | 113 | M667 R763 Q764 Q765 L771 Y790 | M667-K767 HydrophobicContact CE-CD 4.18Å; M667-K767 VanDerWaalsContact CE-CE 3.47Å; M667-K767 HydrophobicContact CE-CG 4.46Å; M667-K767 HydrophobicContact SD-CD 4.38Å; M667-K767 HydrophobicContact SD-CG 4.08Å; R763-K767 VanDerWaalsContact O-CB 3.23Å; R763-K767 WeakPolarHBondContact O-CB 3.44Å; R763-K767 PolarHBondContact O-N 3.36Å; R763-K767 VanDerWaalsContact O-N 3.08Å; Q764-K767 PolarHBondContact O-N 3.15Å; Q765-K767 VanDerWaalsContact C-N 3.26Å; Q765-K767 PolarHBondContact O-N 3.29Å; K767-L771 HydrophobicContact CG-CD1 4.38Å; K767-L771 VanDerWaalsContact O-CG 3.29Å; K767-L771 WeakPolarHBondContact O-CG 3.42Å; K767-L771 PolarHBondContact O-N 2.87Å; K767-L771 VanDerWaalsContact O-N 3.15Å; K767-Y790 HydrophobicContact CD-CE1 4.43Å; K767-Y790 VanDerWaalsContact CE-OH 3.23Å; K767-Y790 WeakPolarHBondContact CE-OH 3.36Å; K767-Y790 PolarHBondContact NZ-OH 3.29Å |
| 768 | V | 75.1 | Confident | 67.8 | Low | 9 Ų | 9 | 81.9 Ų | 81.9 | 6% | 0.055 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 111 | Q764 Q765 L771 I772 L791 Q795 F799 | Q764-V768 WeakPolarHBondContact O-CG2 3.36Å; Q764-V768 PolarHBondContact O-N 3.23Å; Q764-V768 VanDerWaalsContact O-N 3.13Å; Q765-V768 PolarHBondContact O-N 2.87Å; V768-L771 PolarHBondContact O-N 2.97Å; V768-I772 HydrophobicContact CG1-CD1 3.88Å; V768-I772 WeakPolarHBondContact O-CG1 3.41Å; V768-I772 PolarHBondContact O-N 3.39Å; V768-L791 HydrophobicContact CG1-CD2 3.95Å; V768-L791 HydrophobicContact CG2-CD2 4.29Å; V768-Q795 HydrophobicContact CG2-CG 4.02Å; V768-F799 HydrophobicContact CG1-CE1 3.81Å; V768-F799 HydrophobicContact CG1-CZ 3.85Å |
| 769 | E | 73.8 | Confident | 69.5 | Low | 133 Ų | 133 | 81 Ų | 81 | 62% | 0.621 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.9 | -40.1 | 176.5 | -72.2 | -176.1 | -178.9 | 0 | 0 | 112.5 | Q765 E766 I772 A773 | Q765-E769 PolarHBondContact O-N 3.48Å; Q765-E769 VanDerWaalsContact O-N 3.14Å; E766-E769 PolarHBondContact O-N 2.95Å; E769-I772 PolarHBondContact O-N 3.45Å; E769-A773 PolarHBondContact O-N 2.89Å |
| 770 | E | 78.7 | Confident | 71.3 | Confident | 46 Ų | 46 | 82.5 Ų | 82.5 | 22% | 0.215 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.7 | -169.9 | 175.8 | -173.6 | 0 | 0 | 112 | L663 E766 A773 M774 | L663-E770 HydrophobicContact CD2-CG 3.91Å; E766-E770 PolarHBondContact O-N 3.41Å; E766-E770 VanDerWaalsContact O-N 3.11Å; E770-A773 WeakPolarHBondContact O-CB 3.48Å; E770-A773 PolarHBondContact O-N 3.32Å; E770-M774 WeakPolarHBondContact O-CG 3.29Å; E770-M774 PolarHBondContact O-N 3.02Å |
| 771 | L | 80.4 | Confident | 73 | Confident | 6 Ų | 6 | 77.4 Ų | 77.4 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 176.8 | -74.4 | 171.6 | 0 | 0 | 0 | 112.7 | K767 V768 A773 M774 L775 I787 Y790 | K767-L771 HydrophobicContact CG-CD1 4.38Å; K767-L771 VanDerWaalsContact O-CG 3.29Å; K767-L771 WeakPolarHBondContact O-CG 3.42Å; K767-L771 PolarHBondContact O-N 2.87Å; K767-L771 VanDerWaalsContact O-N 3.15Å; V768-L771 PolarHBondContact O-N 2.97Å; L771-A773 VanDerWaalsContact C-N 3.3Å; L771-A773 PolarHBondContact O-N 2.89Å; L771-M774 HydrophobicContact CD2-SD 4.48Å; L771-M774 PolarHBondContact O-N 3.22Å; L771-L775 WeakPolarHBondContact O-CB 3.04Å; L771-L775 PolarHBondContact O-N 3.32Å; L771-I787 HydrophobicContact CB-CG2 4.06Å; L771-I787 HydrophobicContact CD2-CG1 4.3Å; L771-I787 HydrophobicContact CD2-CG2 4.34Å; L771-Y790 HydrophobicContact CD1-CD1 3.25Å; L771-Y790 HydrophobicContact CD1-CE1 3.51Å; L771-Y790 HydrophobicContact CD1-CG 4.23Å |
| 772 | I | 80.4 | Confident | 74.5 | Confident | 13 Ų | 13 | 75.6 Ų | 75.6 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.5 | -36 | 173.6 | -68.4 | 168.9 | 0 | 0 | 0 | 110.7 | V768 E769 R776 L791 F799 | V768-I772 HydrophobicContact CG1-CD1 3.88Å; V768-I772 WeakPolarHBondContact O-CG1 3.41Å; V768-I772 PolarHBondContact O-N 3.39Å; E769-I772 PolarHBondContact O-N 3.45Å; I772-R776 WeakPolarHBondContact O-CG 3.46Å; I772-R776 PolarHBondContact O-N 3.21Å; I772-L791 HydrophobicContact CG1-CD1 4.31Å; I772-F799 HydrophobicContact CD1-CE1 4.2Å |
| 773 | A | 77.9 | Confident | 76 | Confident | 34 Ų | 34 | 75.5 Ų | 75.5 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E769 E770 L771 L775 R776 E777 | E769-A773 PolarHBondContact O-N 2.89Å; E770-A773 WeakPolarHBondContact O-CB 3.48Å; E770-A773 PolarHBondContact O-N 3.32Å; L771-A773 VanDerWaalsContact C-N 3.3Å; L771-A773 PolarHBondContact O-N 2.89Å; A773-L775 VanDerWaalsContact C-N 3.34Å; A773-L775 PolarHBondContact O-N 3.06Å; A773-R776 WeakPolarHBondContact O-CB 3.31Å; A773-R776 PolarHBondContact O-N 2.97Å; A773-R776 VanDerWaalsContact O-N 3.17Å; A773-E777 PolarHBondContact O-N 3.35Å |
| 774 | M | 80.6 | Confident | 77.4 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 175.3 | -73 | -179.4 | 58 | 0 | 0 | 112.6 | E770 L771 R776 E777 T778 I787 | E770-M774 WeakPolarHBondContact O-CG 3.29Å; E770-M774 PolarHBondContact O-N 3.02Å; L771-M774 HydrophobicContact CD2-SD 4.48Å; L771-M774 PolarHBondContact O-N 3.22Å; M774-R776 PolarHBondContact O-N 3.46Å; M774-E777 PolarHBondContact O-N 3.16Å; M774-E777 VanDerWaalsContact O-N 3.09Å; M774-T778 WeakPolarHBondContact O-CG2 3.11Å; M774-T778 PolarHBondContact O-N 3.12Å; M774-I787 HydrophobicContact CB-CD1 3.91Å |
| 775 | L | 81.5 | Confident | 78.7 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -32.1 | 177.5 | -172.2 | 70.5 | 0 | 0 | 0 | 112.3 | L771 A773 Q784 I787 L788 L815 | L771-L775 WeakPolarHBondContact O-CB 3.04Å; L771-L775 PolarHBondContact O-N 3.32Å; A773-L775 VanDerWaalsContact C-N 3.34Å; A773-L775 PolarHBondContact O-N 3.06Å; L775-Q784 HydrophobicContact CD1-CB 3.69Å; L775-Q784 HydrophobicContact CD1-CG 3.82Å; L775-I787 HydrophobicContact CB-CD1 4.32Å; L775-I787 HydrophobicContact CB-CG2 4.19Å; L775-I787 HydrophobicContact CD1-CB 4.24Å; L775-I787 HydrophobicContact CD1-CD1 4.41Å; L775-I787 HydrophobicContact CD1-CG2 4.22Å; L775-L788 HydrophobicContact CD1-CG 4.13Å; L775-L788 HydrophobicContact CD2-CD2 3.83Å; L775-L788 HydrophobicContact CD2-CG 4.31Å; L775-L815 HydrophobicContact CD2-CD1 3.75Å |
| 776 | R | 78.6 | Confident | 80 | Confident | 142 Ų | 142 | 59.5 Ų | 59.5 | 54% | 0.536 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -76.1 | -28.8 | 176.8 | -68.1 | 172.1 | -173.1 | -177.9 | 6.7 | 113.1 | I772 A773 M774 M803 | I772-R776 WeakPolarHBondContact O-CG 3.46Å; I772-R776 PolarHBondContact O-N 3.21Å; A773-R776 WeakPolarHBondContact O-CB 3.31Å; A773-R776 PolarHBondContact O-N 2.97Å; A773-R776 VanDerWaalsContact O-N 3.17Å; M774-R776 PolarHBondContact O-N 3.46Å; R776-M803 HydrophobicContact CG-CE 4.13Å |
| 777 | E | 79.4 | Confident | 81.2 | Confident | 139 Ų | 139 | 53.4 Ų | 53.4 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -88.7 | -29.4 | -176.4 | -69.8 | -175.5 | 178.3 | 0 | 0 | 112.8 | A773 M774 | A773-E777 PolarHBondContact O-N 3.35Å; M774-E777 PolarHBondContact O-N 3.16Å; M774-E777 VanDerWaalsContact O-N 3.09Å |
| 778 | T | 82.6 | Confident | 82 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | trans | -82.5 | 130.9 | -175.8 | -170.1 | 0 | 0 | 0 | 0 | 112.8 | M774 N780 E783 Q784 I787 | M774-T778 WeakPolarHBondContact O-CG2 3.11Å; M774-T778 PolarHBondContact O-N 3.12Å; T778-N780 PolarHBondContact OG1-N 3.15Å; T778-E783 WeakPolarHBondContact CB-OE2 3.44Å; T778-E783 HydrophobicContact CG2-CB 4.37Å; T778-E783 HydrophobicContact CG2-CG 4.27Å; T778-E783 PolarHBondContact OG1-OE2 3.43Å; T778-Q784 HydrophobicContact CG2-CG 3.56Å; T778-Q784 PolarHBondContact O-NE2 3.01Å; T778-I787 HydrophobicContact CG2-CD1 4.37Å | ||
| 779 | E | 80 | Confident | 82.5 | Confident | 183 Ų | 183 | 50.5 Ų | 50.5 | 86% | 0.855 | 24% | 0.242 | S | C | * | . | trans | -91.8 | -7.6 | 170.6 | -63.7 | -175 | 169.3 | 0 | 0 | 112.2 | L781 | E779-L781 PolarHBondContact O-N 3.43Š| ||
| 780 | N | 85 | Confident | 83 | Confident | 83 Ų | 83 | 47 Ų | 47 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | trans | -83.3 | 115.4 | -178.8 | -174.5 | -16.3 | 0 | 0 | 0 | 110.7 | T778 E782 E783 Q784 | T778-N780 PolarHBondContact OG1-N 3.15Å; N780-E782 VanDerWaalsContact C-N 3.29Å; N780-E782 PolarHBondContact O-N 3.38Å; N780-E782 PolarHBondContact OD1-N 3.06Å; N780-E783 HydrophobicContact CB-CB 4.16Å; N780-E783 PolarHBondContact O-N 3.21Å; N780-Q784 WeakPolarHBondContact O-CG 3.44Å; N780-Q784 PolarHBondContact O-N 3.42Å | ||
| 781 | L | 86.4 | Confident | 83.3 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -31.1 | -178.5 | -59.8 | -173.2 | 0 | 0 | 0 | 113.5 | E779 Q784 G785 L819 K822 Q826 L828 L831 | E779-L781 PolarHBondContact O-N 3.43Å; L781-Q784 PolarHBondContact O-N 2.85Å; L781-G785 PolarHBondContact O-N 3.2Å; L781-L819 HydrophobicContact CB-CD1 3.99Å; L781-L819 HydrophobicContact CD2-CD1 3.8Å; L781-L819 HydrophobicContact CG-CD1 4.39Å; L781-K822 HydrophobicContact CD1-CB 4.02Å; L781-K822 HydrophobicContact CD2-CB 4.04Å; L781-K822 HydrophobicContact CD2-CD 4.08Å; L781-Q826 HydrophobicContact CD1-CB 4.46Å; L781-Q826 VanDerWaalsContact CD1-CD 3.44Å; L781-Q826 HydrophobicContact CD1-CG 4.19Å; L781-L828 HydrophobicContact CB-CD1 4.15Å; L781-L828 HydrophobicContact CD1-CD1 3.88Å; L781-L831 HydrophobicContact CB-CD2 3.72Å; L781-L831 WeakPolarHBondContact O-CD2 3.29Å |
| 782 | E | 84.4 | Confident | 83.6 | Confident | 96 Ų | 96 | 45.8 Ų | 45.8 | 45% | 0.449 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.4 | -40.3 | 176.8 | -64.9 | -175.2 | 169 | 0 | 0 | 111.5 | N780 G785 D786 | N780-E782 VanDerWaalsContact C-N 3.29Å; N780-E782 PolarHBondContact O-N 3.38Å; N780-E782 PolarHBondContact OD1-N 3.06Å; E782-G785 PolarHBondContact O-N 3.44Å; E782-D786 PolarHBondContact O-N 3.18Å |
| 783 | E | 84.1 | Confident | 83.7 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.9 | -38.8 | 175.9 | -171.8 | 175.2 | -156.4 | 0 | 0 | 111 | T778 N780 G785 D786 I787 | T778-E783 WeakPolarHBondContact CB-OE2 3.44Å; T778-E783 HydrophobicContact CG2-CB 4.37Å; T778-E783 HydrophobicContact CG2-CG 4.27Å; T778-E783 PolarHBondContact OG1-OE2 3.43Å; N780-E783 HydrophobicContact CB-CB 4.16Å; N780-E783 PolarHBondContact O-N 3.21Å; E783-G785 VanDerWaalsContact C-N 3.28Å; E783-G785 PolarHBondContact O-N 3.22Å; E783-D786 PolarHBondContact O-N 3.21Å; E783-I787 HydrophobicContact CG-CD1 4.28Å; E783-I787 VanDerWaalsContact O-CG1 3.25Å; E783-I787 WeakPolarHBondContact O-CG1 3.22Å; E783-I787 PolarHBondContact O-N 3.43Å |
| 784 | Q | 86.8 | Confident | 83.9 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 170.5 | -65.2 | -178 | 10.7 | 0 | 0 | 111.2 | L775 T778 N780 L781 I787 L788 L819 | L775-Q784 HydrophobicContact CD1-CB 3.69Å; L775-Q784 HydrophobicContact CD1-CG 3.82Å; T778-Q784 HydrophobicContact CG2-CG 3.56Å; T778-Q784 PolarHBondContact O-NE2 3.01Å; N780-Q784 WeakPolarHBondContact O-CG 3.44Å; N780-Q784 PolarHBondContact O-N 3.42Å; L781-Q784 PolarHBondContact O-N 2.85Å; Q784-I787 PolarHBondContact O-N 3.49Å; Q784-L788 WeakPolarHBondContact O-CB 3.42Å; Q784-L788 WeakPolarHBondContact O-CG 3.36Å; Q784-L788 PolarHBondContact O-N 3.47Å; Q784-L819 HydrophobicContact CB-CD1 3.97Å; Q784-L819 HydrophobicContact CB-CD2 4.28Å |
| 785 | G | 86.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -50.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L781 E782 E783 I787 L788 Q789 | L781-G785 PolarHBondContact O-N 3.2Å; E782-G785 PolarHBondContact O-N 3.44Å; E783-G785 VanDerWaalsContact C-N 3.28Å; E783-G785 PolarHBondContact O-N 3.22Å; G785-I787 VanDerWaalsContact C-N 3.29Å; G785-I787 PolarHBondContact O-N 3.35Å; G785-L788 PolarHBondContact O-N 3.12Å; G785-Q789 WeakPolarHBondContact O-CB 3.34Å; G785-Q789 PolarHBondContact O-N 3.49Å |
| 786 | D | 85.7 | Confident | 84.3 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -38.6 | 178.4 | -81.1 | -31 | 0 | 0 | 0 | 112.5 | C669 K670 G671 A672 I673 E782 E783 Y790 | C669-D786 HydrophobicContact CB-CB 4.36Å; C669-D786 WeakPolarHBondContact O-CB 3.41Å; K670-D786 VanDerWaalsContact CA-OD2 3.29Å; K670-D786 WeakPolarHBondContact CA-OD2 3.43Å; G671-D786 PolarHBondContact N-OD2 3.43Å; A672-D786 HydrophobicContact CB-CB 4.16Å; A672-D786 PolarHBondContact N-OD1 3.43Å; I673-D786 WeakPolarHBondContact CG1-OD1 3.34Å; I673-D786 PolarHBondContact N-OD1 2.96Å; E782-D786 PolarHBondContact O-N 3.18Å; E783-D786 PolarHBondContact O-N 3.21Å; D786-Y790 PolarHBondContact O-N 2.93Å |
| 787 | I | 86.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.2 | -47.5 | 175.9 | -66.4 | 166.9 | 0 | 0 | 0 | 110.6 | C669 L771 M774 L775 T778 E783 Q784 G785 Y790 L791 | C669-I787 WeakPolarHBondContact SG-CG1 3.46Å; L771-I787 HydrophobicContact CB-CG2 4.06Å; L771-I787 HydrophobicContact CD2-CG1 4.3Å; L771-I787 HydrophobicContact CD2-CG2 4.34Å; M774-I787 HydrophobicContact CB-CD1 3.91Å; L775-I787 HydrophobicContact CB-CD1 4.32Å; L775-I787 HydrophobicContact CB-CG2 4.19Å; L775-I787 HydrophobicContact CD1-CB 4.24Å; L775-I787 HydrophobicContact CD1-CD1 4.41Å; L775-I787 HydrophobicContact CD1-CG2 4.22Å; T778-I787 HydrophobicContact CG2-CD1 4.37Å; E783-I787 HydrophobicContact CG-CD1 4.28Å; E783-I787 VanDerWaalsContact O-CG1 3.25Å; E783-I787 WeakPolarHBondContact O-CG1 3.22Å; E783-I787 PolarHBondContact O-N 3.43Å; Q784-I787 PolarHBondContact O-N 3.49Å; G785-I787 VanDerWaalsContact C-N 3.29Å; G785-I787 PolarHBondContact O-N 3.35Å; I787-Y790 PolarHBondContact O-N 2.98Å; I787-L791 HydrophobicContact CG2-CD1 4.03Å; I787-L791 HydrophobicContact CG2-CG 4.44Å; I787-L791 WeakPolarHBondContact O-CG 3.45Å; I787-L791 PolarHBondContact O-N 2.87Å |
| 788 | L | 87.4 | Confident | 85 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.2 | -36.9 | -178 | -73.9 | 176.1 | 0 | 0 | 0 | 112.3 | L775 Q784 G785 Y790 L791 V792 V812 L815 L816 L819 | L775-L788 HydrophobicContact CD1-CG 4.13Å; L775-L788 HydrophobicContact CD2-CD2 3.83Å; L775-L788 HydrophobicContact CD2-CG 4.31Å; Q784-L788 WeakPolarHBondContact O-CB 3.42Å; Q784-L788 WeakPolarHBondContact O-CG 3.36Å; Q784-L788 PolarHBondContact O-N 3.47Å; G785-L788 PolarHBondContact O-N 3.12Å; L788-Y790 VanDerWaalsContact C-N 3.34Å; L788-Y790 PolarHBondContact O-N 2.91Å; L788-L791 HydrophobicContact CD2-CD1 4.32Å; L788-L791 PolarHBondContact O-N 3.24Å; L788-V792 WeakPolarHBondContact O-CG2 3.43Å; L788-V792 PolarHBondContact O-N 3.01Å; L788-V812 HydrophobicContact CD2-CG1 4.27Å; L788-L815 HydrophobicContact CD2-CB 3.98Å; L788-L815 HydrophobicContact CD2-CD1 4.45Å; L788-L816 HydrophobicContact CB-CD1 4.4Å; L788-L816 HydrophobicContact CD1-CD1 4.19Å; L788-L819 HydrophobicContact CD1-CB 4Å; L788-L819 HydrophobicContact CD1-CD2 3.72Å; L788-L819 HydrophobicContact CD1-CG 4.49Å |
| 789 | Q | 86.1 | Confident | 85.2 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.9 | -50.7 | 171.7 | 177.5 | 58.4 | 35.1 | 0 | 0 | 110.4 | I673 G785 L791 V792 D793 H834 M838 | I673-Q789 HydrophobicContact CG1-CB 4.37Å; G785-Q789 WeakPolarHBondContact O-CB 3.34Å; G785-Q789 PolarHBondContact O-N 3.49Å; Q789-L791 VanDerWaalsContact C-N 3.3Å; Q789-L791 PolarHBondContact O-N 3.18Å; Q789-V792 PolarHBondContact O-N 3.21Å; Q789-D793 PolarHBondContact NE2-OD1 3.39Å; Q789-D793 PolarHBondContact NE2-OD2 2.73Å; Q789-D793 VanDerWaalsContact O-CG 3.28Å; Q789-D793 PolarHBondContact O-N 2.97Å; Q789-H834 PolarHBondContact OE1-CE1 3.19Å; Q789-H834 PolarHBondContact OE1-NE2 3.31Å; Q789-M838 PolarHBondContact OE1-SD 2.87Å; Q789-M838 VanDerWaalsContact OE1-SD 3.36Å |
| 790 | Y | 84.6 | Confident | 85.3 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -39.1 | 178.1 | -175.3 | -91.4 | 0 | 0 | 0 | 112.9 | K767 L771 D786 I787 L788 T794 | K767-Y790 HydrophobicContact CD-CE1 4.43Å; K767-Y790 VanDerWaalsContact CE-OH 3.23Å; K767-Y790 WeakPolarHBondContact CE-OH 3.36Å; K767-Y790 PolarHBondContact NZ-OH 3.29Å; L771-Y790 HydrophobicContact CD1-CD1 3.25Å; L771-Y790 HydrophobicContact CD1-CE1 3.51Å; L771-Y790 HydrophobicContact CD1-CG 4.23Å; D786-Y790 PolarHBondContact O-N 2.93Å; I787-Y790 PolarHBondContact O-N 2.98Å; L788-Y790 VanDerWaalsContact C-N 3.34Å; L788-Y790 PolarHBondContact O-N 2.91Å; Y790-T794 HydrophobicContact CD1-CG2 4.32Å; Y790-T794 HydrophobicContact CD2-CG2 4.48Å; Y790-T794 HydrophobicContact CE1-CG2 3.86Å; Y790-T794 HydrophobicContact CE2-CG2 3.99Å; Y790-T794 WeakPolarHBondContact O-CB 3.42Å; Y790-T794 WeakPolarHBondContact O-CG2 3.44Å; Y790-T794 PolarHBondContact O-N 3.48Å; Y790-T794 VanDerWaalsContact O-N 3.12Å; Y790-T794 PolarHBondContact O-OG1 3Å |
| 791 | L | 85.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 177.6 | -71.2 | 175 | 0 | 0 | 0 | 112.1 | V768 I772 I787 L788 Q789 Q795 G796 V812 | V768-L791 HydrophobicContact CG1-CD2 3.95Å; V768-L791 HydrophobicContact CG2-CD2 4.29Å; I772-L791 HydrophobicContact CG1-CD1 4.31Å; I787-L791 HydrophobicContact CG2-CD1 4.03Å; I787-L791 HydrophobicContact CG2-CG 4.44Å; I787-L791 WeakPolarHBondContact O-CG 3.45Å; I787-L791 PolarHBondContact O-N 2.87Å; L788-L791 HydrophobicContact CD2-CD1 4.32Å; L788-L791 PolarHBondContact O-N 3.24Å; Q789-L791 VanDerWaalsContact C-N 3.3Å; Q789-L791 PolarHBondContact O-N 3.18Å; L791-Q795 WeakPolarHBondContact O-CA 3.28Å; L791-Q795 WeakPolarHBondContact O-CB 3.13Å; L791-Q795 PolarHBondContact O-N 2.6Å; L791-G796 PolarHBondContact O-N 3.23Å; L791-V812 HydrophobicContact CB-CG1 4.39Å; L791-V812 HydrophobicContact CB-CG2 4.43Å |
| 792 | V | 85.4 | Confident | 84.4 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 175.3 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | L788 Q789 T794 G796 L797 V812 M838 | L788-V792 WeakPolarHBondContact O-CG2 3.43Å; L788-V792 PolarHBondContact O-N 3.01Å; Q789-V792 PolarHBondContact O-N 3.21Å; V792-T794 VanDerWaalsContact C-N 3.27Å; V792-T794 PolarHBondContact O-N 2.84Å; V792-G796 VanDerWaalsContact O-CA 3.31Å; V792-G796 WeakPolarHBondContact O-CA 3.11Å; V792-G796 PolarHBondContact O-N 3Å; V792-L797 HydrophobicContact CG1-CD2 4.32Å; V792-L797 HydrophobicContact CG1-CG 4.35Å; V792-L797 HydrophobicContact CG2-CD2 3.72Å; V792-L797 HydrophobicContact CG2-CG 4.41Å; V792-V812 HydrophobicContact CG2-CG1 3.66Å; V792-M838 HydrophobicContact CB-CE 3.8Å; V792-M838 HydrophobicContact CG1-CE 4.19Å; V792-M838 HydrophobicContact CG2-CE 3.4Å |
| 793 | D | 82.4 | Confident | 84.1 | Confident | 92 Ų | 92 | 39.6 Ų | 39.6 | 49% | 0.492 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.7 | -32.2 | -179.6 | -64.5 | -19.6 | 0 | 0 | 0 | 112.8 | Q789 | Q789-D793 PolarHBondContact NE2-OD1 3.39Å; Q789-D793 PolarHBondContact NE2-OD2 2.73Å; Q789-D793 VanDerWaalsContact O-CG 3.28Å; Q789-D793 PolarHBondContact O-N 2.97Å |
| 794 | T | 83 | Confident | 83.7 | Confident | 45 Ų | 45 | 42.2 Ų | 42.2 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -99.1 | -31 | -174.4 | 57.2 | 0 | 0 | 0 | 0 | 115 | Y790 V792 | Y790-T794 HydrophobicContact CD1-CG2 4.32Å; Y790-T794 HydrophobicContact CD2-CG2 4.48Å; Y790-T794 HydrophobicContact CE1-CG2 3.86Å; Y790-T794 HydrophobicContact CE2-CG2 3.99Å; Y790-T794 WeakPolarHBondContact O-CB 3.42Å; Y790-T794 WeakPolarHBondContact O-CG2 3.44Å; Y790-T794 PolarHBondContact O-N 3.48Å; Y790-T794 VanDerWaalsContact O-N 3.12Å; Y790-T794 PolarHBondContact O-OG1 3Å; V792-T794 VanDerWaalsContact C-N 3.27Å; V792-T794 PolarHBondContact O-N 2.84Å |
| 795 | Q | 84.5 | Confident | 82.8 | Confident | 69 Ų | 69 | 44.3 Ų | 44.3 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -122.1 | -17.5 | -173.5 | -55.4 | -58.4 | -49 | 0 | 0 | 113.9 | V768 L791 F799 | V768-Q795 HydrophobicContact CG2-CG 4.02Å; L791-Q795 WeakPolarHBondContact O-CA 3.28Å; L791-Q795 WeakPolarHBondContact O-CB 3.13Å; L791-Q795 PolarHBondContact O-N 2.6Å; Q795-F799 HydrophobicContact CB-CB 3.74Å; Q795-F799 HydrophobicContact CB-CD1 4.15Å; Q795-F799 HydrophobicContact CB-CD2 3.66Å; Q795-F799 HydrophobicContact CB-CE2 4.29Å; Q795-F799 HydrophobicContact CB-CG 3.58Å; Q795-F799 HydrophobicContact CG-CD1 4.39Å; Q795-F799 HydrophobicContact CG-CD2 4.07Å; Q795-F799 HydrophobicContact CG-CE2 4.19Å; Q795-F799 HydrophobicContact CG-CG 4.17Å; Q795-F799 HydrophobicContact CG-CZ 4.42Å |
| 796 | G | 85.2 | Confident | 81.8 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | trans | 81.5 | 165.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L791 V792 D798 F799 | L791-G796 PolarHBondContact O-N 3.23Å; V792-G796 VanDerWaalsContact O-CA 3.31Å; V792-G796 WeakPolarHBondContact O-CA 3.11Å; V792-G796 PolarHBondContact O-N 3Å; G796-D798 PolarHBondContact O-N 3Å; G796-F799 WeakPolarHBondContact O-CB 3.5Å; G796-F799 PolarHBondContact O-N 3.17Å | ||
| 797 | L | 85.6 | Confident | 81 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -33 | -173.1 | -73.6 | 166.4 | 0 | 0 | 0 | 114.1 | V792 F799 R813 L816 | V792-L797 HydrophobicContact CG1-CD2 4.32Å; V792-L797 HydrophobicContact CG1-CG 4.35Å; V792-L797 HydrophobicContact CG2-CD2 3.72Å; V792-L797 HydrophobicContact CG2-CG 4.41Å; L797-F799 VanDerWaalsContact C-N 3.26Å; L797-F799 PolarHBondContact O-N 2.81Å; L797-R813 HydrophobicContact CB-CB 4.37Å; L797-R813 WeakPolarHBondContact O-CB 3.36Å; L797-R813 PolarHBondContact O-N 3.39Å; L797-L816 HydrophobicContact CD2-CD2 3.75Å |
| 798 | D | 87.8 | Confident | 80.4 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 62% | 0.62 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 11.8 | -174.4 | -53.4 | -41.7 | 0 | 0 | 0 | 112.3 | G796 N800 R813 | G796-D798 PolarHBondContact O-N 3Å; D798-N800 PolarHBondContact O-N 3.1Å; D798-R813 IonicContact OD1-CZ 3.16Å; D798-R813 IonicContact OD1-NE 2.84Å; D798-R813 PolarHBondContact OD1-NE 3.05Å; D798-R813 IonicContact OD1-NH2 3.82Å; D798-R813 PolarHBondContact OD1-NH2 2.73Å; D798-R813 IonicContact OD2-NH2 2.65Å |
| 799 | F | 87.1 | Confident | 80.1 | Confident | 57 Ų | 57 | 69 Ų | 69 | 25% | 0.25 | 38% | 0.377 | C | S | . | . | trans | -62.6 | 131.6 | 176 | 179.2 | -101.2 | 0 | 0 | 0 | 111.6 | V768 I772 Q795 G796 L797 T801 T811 V812 | V768-F799 HydrophobicContact CG1-CE1 3.81Å; V768-F799 HydrophobicContact CG1-CZ 3.85Å; I772-F799 HydrophobicContact CD1-CE1 4.2Å; Q795-F799 HydrophobicContact CB-CB 3.74Å; Q795-F799 HydrophobicContact CB-CD1 4.15Å; Q795-F799 HydrophobicContact CB-CD2 3.66Å; Q795-F799 HydrophobicContact CB-CE2 4.29Å; Q795-F799 HydrophobicContact CB-CG 3.58Å; Q795-F799 HydrophobicContact CG-CD1 4.39Å; Q795-F799 HydrophobicContact CG-CD2 4.07Å; Q795-F799 HydrophobicContact CG-CE2 4.19Å; Q795-F799 HydrophobicContact CG-CG 4.17Å; Q795-F799 HydrophobicContact CG-CZ 4.42Å; G796-F799 WeakPolarHBondContact O-CB 3.5Å; G796-F799 PolarHBondContact O-N 3.17Å; L797-F799 VanDerWaalsContact C-N 3.26Å; L797-F799 PolarHBondContact O-N 2.81Å; F799-T801 PolarHBondContact O-N 3.28Å; F799-T811 CarbonylContact O-C 3.18Å; F799-T811 VanDerWaalsContact O-CA 3.3Å; F799-T811 WeakPolarHBondContact O-CA 3.35Å; F799-V812 HydrophobicContact CB-CG2 3.86Å; F799-V812 HydrophobicContact CD1-CG2 3.84Å; F799-V812 HydrophobicContact CG-CG2 4.34Å; F799-V812 PolarHBondContact O-N 3.38Å | ||
| 800 | N | 82.8 | Confident | 80 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 116.8 | 177.4 | 178.8 | -12.8 | 0 | 0 | 0 | 110.3 | D798 G802 V809 | D798-N800 PolarHBondContact O-N 3.1Å; N800-G802 PolarHBondContact O-N 3.23Å; N800-G802 WeakPolarHBondContact OD1-CA 3.44Å; N800-G802 PolarHBondContact OD1-N 3.41Å; N800-V809 HydrophobicContact CB-CG1 4.07Å; N800-V809 WeakPolarHBondContact ND2-CG1 3.39Å; N800-V809 WeakPolarHBondContact OD1-CG1 3.33Å |
| 801 | T | 80.7 | Confident | 80.2 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 5% | 0.049 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -2.8 | -175.9 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | F799 M803 V810 V812 L815 | F799-T801 PolarHBondContact O-N 3.28Å; T801-M803 PolarHBondContact O-N 3.3Å; T801-M803 WeakPolarHBondContact OG1-CB 3.39Å; T801-M803 PolarHBondContact OG1-N 2.58Å; T801-V810 PolarHBondContact N-O 2.83Å; T801-V810 PolarHBondContact OG1-O 3.15Å; T801-V812 HydrophobicContact CG2-CG2 3.91Å; T801-L815 HydrophobicContact CG2-CD1 3.5Å; T801-L815 HydrophobicContact CG2-CG 4.39Å |
| 802 | G | 72.1 | Confident | 80.3 | Confident | 60 Ų | 60 | 67.7 Ų | 67.7 | 62% | 0.619 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 72.9 | 6.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | N800 | N800-G802 PolarHBondContact O-N 3.23Å; N800-G802 WeakPolarHBondContact OD1-CA 3.44Å; N800-G802 PolarHBondContact OD1-N 3.41Å |
| 803 | M | 76.9 | Confident | 80.4 | Confident | 33 Ų | 33 | 69.8 Ų | 69.8 | 16% | 0.163 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 143.9 | 177.6 | -60.8 | 176.7 | 81.5 | 0 | 0 | 110.4 | L653 R776 T801 V810 L815 | L653-M803 HydrophobicContact CD2-CE 3.5Å; L653-M803 VanDerWaalsContact CD2-CE 3.5Å; R776-M803 HydrophobicContact CG-CE 4.13Å; T801-M803 PolarHBondContact O-N 3.3Å; T801-M803 WeakPolarHBondContact OG1-CB 3.39Å; T801-M803 PolarHBondContact OG1-N 2.58Å; M803-V810 HydrophobicContact CB-CB 3.97Å; M803-V810 HydrophobicContact CB-CG2 4.13Å; M803-V810 PolarHBondContact O-N 2.66Å; M803-L815 HydrophobicContact SD-CD2 4.49Å |
| 804 | L | 75.1 | Confident | 80.5 | Confident | 127 Ų | 127 | 67.1 Ų | 67.1 | 67% | 0.665 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.7 | 176.9 | -70.6 | 168.8 | 0 | 0 | 0 | 109.7 | R808 V809 | L804-R808 CarbonylContact C-O 3.44Å; L804-R808 VanDerWaalsContact CA-O 3.28Å; L804-R808 WeakPolarHBondContact CA-O 3.49Å; L804-V809 HydrophobicContact CD2-CG2 3.87Å |
| 805 | E | 67.8 | Low | 80.8 | Confident | 66 Ų | 66 | 65.7 Ų | 65.7 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 123.4 | 173.3 | -171.6 | 165.7 | -171.5 | 0 | 0 | 108.8 | M651 G807 R808 V810 | M651-E805 WeakPolarHBondContact CE-OE2 3.29Å; M651-E805 WeakPolarHBondContact CG-OE2 3.08Å; E805-G807 PolarHBondContact O-N 2.76Å; E805-R808 PolarHBondContact N-O 3.14Å; E805-R808 WeakPolarHBondContact O-CB 3.41Å; E805-R808 PolarHBondContact O-N 3.49Å; E805-V810 HydrophobicContact CB-CG2 3.8Å |
| 806 | E | 67.4 | Low | 80.9 | Confident | 196 Ų | 196 | 62.5 Ų | 62.5 | 92% | 0.916 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 29.5 | -173.3 | -57.7 | -171.6 | 162.6 | 0 | 0 | 114.3 | R808 | E806-R808 VanDerWaalsContact C-N 3.31Å; E806-R808 PolarHBondContact O-N 3.32Å |
| 807 | G | 67.1 | Low | 81 | Confident | 68 Ų | 68 | 65.4 Ų | 65.4 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | E805 | E805-G807 PolarHBondContact O-N 2.76Š|
| 808 | R | 74.2 | Confident | 81 | Confident | 202 Ų | 202 | 64.2 Ų | 64.2 | 76% | 0.762 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 143.5 | 172.5 | -65 | -177.3 | -179.7 | 176.1 | 2.1 | 111.1 | L804 E805 E806 | L804-R808 CarbonylContact C-O 3.44Å; L804-R808 VanDerWaalsContact CA-O 3.28Å; L804-R808 WeakPolarHBondContact CA-O 3.49Å; E805-R808 PolarHBondContact N-O 3.14Å; E805-R808 WeakPolarHBondContact O-CB 3.41Å; E805-R808 PolarHBondContact O-N 3.49Å; E806-R808 VanDerWaalsContact C-N 3.31Å; E806-R808 PolarHBondContact O-N 3.32Å |
| 809 | V | 81.1 | Confident | 81.1 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 42% | 0.418 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.4 | 174.9 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | N800 L804 | N800-V809 HydrophobicContact CB-CG1 4.07Å; N800-V809 WeakPolarHBondContact ND2-CG1 3.39Å; N800-V809 WeakPolarHBondContact OD1-CG1 3.33Å; L804-V809 HydrophobicContact CD2-CG2 3.87Å |
| 810 | V | 84.3 | Confident | 81.2 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.1 | 174.8 | -177 | 0 | 0 | 0 | 0 | 109.2 | T801 M803 E805 D814 L815 | T801-V810 PolarHBondContact N-O 2.83Å; T801-V810 PolarHBondContact OG1-O 3.15Å; M803-V810 HydrophobicContact CB-CB 3.97Å; M803-V810 HydrophobicContact CB-CG2 4.13Å; M803-V810 PolarHBondContact O-N 2.66Å; E805-V810 HydrophobicContact CB-CG2 3.8Å; V810-D814 HydrophobicContact CG1-CB 3.84Å; V810-L815 HydrophobicContact CG1-CD2 3.84Å; V810-L815 HydrophobicContact CG1-CG 3.9Å |
| 811 | T | 88.5 | Confident | 81.3 | Confident | 28 Ų | 28 | 55 Ų | 55 | 17% | 0.172 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 166.6 | 176.5 | 62.5 | 0 | 0 | 0 | 0 | 111.8 | F799 R813 D814 L815 | F799-T811 CarbonylContact O-C 3.18Å; F799-T811 VanDerWaalsContact O-CA 3.3Å; F799-T811 WeakPolarHBondContact O-CA 3.35Å; T811-R813 PolarHBondContact O-N 3.32Å; T811-R813 WeakPolarHBondContact OG1-CB 3.29Å; T811-D814 PolarHBondContact N-OD2 2.84Å; T811-D814 PolarHBondContact O-N 3.3Å; T811-D814 PolarHBondContact OG1-N 3.46Å; T811-D814 PolarHBondContact OG1-OD2 3.32Å; T811-L815 PolarHBondContact O-N 2.65Å; T811-L815 VanDerWaalsContact O-N 3.13Å |
| 812 | V | 86.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.1 | -38 | 170.5 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | L788 L791 V792 F799 T801 D814 L815 L816 | L788-V812 HydrophobicContact CD2-CG1 4.27Å; L791-V812 HydrophobicContact CB-CG1 4.39Å; L791-V812 HydrophobicContact CB-CG2 4.43Å; V792-V812 HydrophobicContact CG2-CG1 3.66Å; F799-V812 HydrophobicContact CB-CG2 3.86Å; F799-V812 HydrophobicContact CD1-CG2 3.84Å; F799-V812 HydrophobicContact CG-CG2 4.34Å; F799-V812 PolarHBondContact O-N 3.38Å; T801-V812 HydrophobicContact CG2-CG2 3.91Å; V812-D814 VanDerWaalsContact C-N 3.3Å; V812-D814 PolarHBondContact O-N 3.33Å; V812-L815 PolarHBondContact O-N 3.09Å; V812-L816 VanDerWaalsContact O-CB 3.3Å; V812-L816 WeakPolarHBondContact O-CB 3.21Å; V812-L816 PolarHBondContact O-N 2.98Å |
| 813 | R | 88.5 | Confident | 82.3 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 27% | 0.268 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.8 | -40.1 | 172.9 | -175.4 | -174.2 | -60.8 | -80 | 1.9 | 112.8 | L797 D798 T811 L816 K817 L839 | L797-R813 HydrophobicContact CB-CB 4.37Å; L797-R813 WeakPolarHBondContact O-CB 3.36Å; L797-R813 PolarHBondContact O-N 3.39Å; D798-R813 IonicContact OD1-CZ 3.16Å; D798-R813 IonicContact OD1-NE 2.84Å; D798-R813 PolarHBondContact OD1-NE 3.05Å; D798-R813 IonicContact OD1-NH2 3.82Å; D798-R813 PolarHBondContact OD1-NH2 2.73Å; D798-R813 IonicContact OD2-NH2 2.65Å; T811-R813 PolarHBondContact O-N 3.32Å; T811-R813 WeakPolarHBondContact OG1-CB 3.29Å; R813-L816 PolarHBondContact O-N 3.42Å; R813-K817 WeakPolarHBondContact O-CG 2.97Å; R813-K817 PolarHBondContact O-N 2.79Å; R813-L839 HydrophobicContact CG-CD2 4.11Å |
| 814 | D | 85.5 | Confident | 82.6 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 20% | 0.198 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.6 | -40.4 | 179.9 | -58.8 | -46.1 | 0 | 0 | 0 | 111.7 | M651 V810 T811 V812 L816 K817 G818 | M651-D814 HydrophobicContact CE-CB 4.1Å; M651-D814 HydrophobicContact SD-CB 4.46Å; V810-D814 HydrophobicContact CG1-CB 3.84Å; T811-D814 PolarHBondContact N-OD2 2.84Å; T811-D814 PolarHBondContact O-N 3.3Å; T811-D814 PolarHBondContact OG1-N 3.46Å; T811-D814 PolarHBondContact OG1-OD2 3.32Å; V812-D814 VanDerWaalsContact C-N 3.3Å; V812-D814 PolarHBondContact O-N 3.33Å; D814-L816 VanDerWaalsContact C-N 3.3Å; D814-L816 PolarHBondContact O-N 3.19Å; D814-K817 WeakPolarHBondContact O-CB 3.49Å; D814-K817 PolarHBondContact O-N 3.23Å; D814-K817 IonicContact OD1-NZ 3.74Å; D814-K817 PolarHBondContact OD1-NZ 3.31Å; D814-G818 PolarHBondContact O-N 3.02Å |
| 815 | L | 87.5 | Confident | 82.8 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 172.2 | -64.9 | 176.3 | 0 | 0 | 0 | 111.8 | L775 L788 T801 M803 V810 T811 V812 G818 L819 | L775-L815 HydrophobicContact CD2-CD1 3.75Å; L788-L815 HydrophobicContact CD2-CB 3.98Å; L788-L815 HydrophobicContact CD2-CD1 4.45Å; T801-L815 HydrophobicContact CG2-CD1 3.5Å; T801-L815 HydrophobicContact CG2-CG 4.39Å; M803-L815 HydrophobicContact SD-CD2 4.49Å; V810-L815 HydrophobicContact CG1-CD2 3.84Å; V810-L815 HydrophobicContact CG1-CG 3.9Å; T811-L815 PolarHBondContact O-N 2.65Å; T811-L815 VanDerWaalsContact O-N 3.13Å; V812-L815 PolarHBondContact O-N 3.09Å; L815-G818 PolarHBondContact O-N 3.37Å; L815-L819 PolarHBondContact O-N 3.2Å |
| 816 | L | 88.3 | Confident | 83.6 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 177 | -172.3 | 65.7 | 0 | 0 | 0 | 112.4 | L788 L797 V812 R813 D814 G818 L819 Y820 T835 M838 L839 | L788-L816 HydrophobicContact CB-CD1 4.4Å; L788-L816 HydrophobicContact CD1-CD1 4.19Å; L797-L816 HydrophobicContact CD2-CD2 3.75Å; V812-L816 VanDerWaalsContact O-CB 3.3Å; V812-L816 WeakPolarHBondContact O-CB 3.21Å; V812-L816 PolarHBondContact O-N 2.98Å; R813-L816 PolarHBondContact O-N 3.42Å; D814-L816 VanDerWaalsContact C-N 3.3Å; D814-L816 PolarHBondContact O-N 3.19Å; L816-G818 VanDerWaalsContact C-N 3.35Å; L816-L819 PolarHBondContact O-N 3.32Å; L816-Y820 VanDerWaalsContact O-CB 3.3Å; L816-Y820 WeakPolarHBondContact O-CB 3.31Å; L816-Y820 PolarHBondContact O-N 3.22Å; L816-T835 HydrophobicContact CD1-CG2 3.73Å; L816-M838 HydrophobicContact CD1-CE 3.68Å; L816-M838 HydrophobicContact CD1-SD 4.07Å; L816-M838 HydrophobicContact CD2-CB 3.73Å; L816-M838 HydrophobicContact CD2-CE 3.71Å; L816-M838 HydrophobicContact CD2-SD 4.44Å; L816-M838 HydrophobicContact CG-CE 4.37Å; L816-L839 HydrophobicContact CB-CD2 4.17Å; L816-L839 HydrophobicContact CD2-CD2 3.66Å; L816-L839 HydrophobicContact CD2-CG 3.64Å; L816-L839 HydrophobicContact CG-CD1 4.22Å; L816-L839 HydrophobicContact CG-CD2 3.94Å; L816-L839 HydrophobicContact CG-CG 3.82Å |
| 817 | K | 87.3 | Confident | 84.3 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 39% | 0.391 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 170.1 | -73.6 | 170.6 | -173 | 164.3 | 0 | 111.3 | R813 D814 L819 Y820 E821 L839 | R813-K817 WeakPolarHBondContact O-CG 2.97Å; R813-K817 PolarHBondContact O-N 2.79Å; D814-K817 WeakPolarHBondContact O-CB 3.49Å; D814-K817 PolarHBondContact O-N 3.23Å; D814-K817 IonicContact OD1-NZ 3.74Å; D814-K817 PolarHBondContact OD1-NZ 3.31Å; K817-L819 PolarHBondContact O-N 2.88Å; K817-Y820 WeakPolarHBondContact O-CB 3.12Å; K817-Y820 PolarHBondContact O-N 3Å; K817-E821 WeakPolarHBondContact O-CG 3.44Å; K817-E821 PolarHBondContact O-N 3.36Å; K817-L839 HydrophobicContact CG-CD1 4.17Å; K817-L839 HydrophobicContact CG-CD2 3.93Å |
| 818 | G | 85.7 | Confident | 85.3 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D814 L815 L816 K822 | D814-G818 PolarHBondContact O-N 3.02Å; L815-G818 PolarHBondContact O-N 3.37Å; L816-G818 VanDerWaalsContact C-N 3.35Å; G818-K822 WeakPolarHBondContact O-CG 3.33Å; G818-K822 PolarHBondContact O-N 2.94Å |
| 819 | L | 89.1 | Confident | 86.1 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -46.9 | 173.7 | 179.8 | 60.6 | 0 | 0 | 0 | 111.5 | L781 Q784 L788 L815 L816 K817 E821 K822 A823 L831 T835 | L781-L819 HydrophobicContact CB-CD1 3.99Å; L781-L819 HydrophobicContact CD2-CD1 3.8Å; L781-L819 HydrophobicContact CG-CD1 4.39Å; Q784-L819 HydrophobicContact CB-CD1 3.97Å; Q784-L819 HydrophobicContact CB-CD2 4.28Å; L788-L819 HydrophobicContact CD1-CB 4Å; L788-L819 HydrophobicContact CD1-CD2 3.72Å; L788-L819 HydrophobicContact CD1-CG 4.49Å; L815-L819 PolarHBondContact O-N 3.2Å; L816-L819 PolarHBondContact O-N 3.32Å; K817-L819 PolarHBondContact O-N 2.88Å; L819-E821 VanDerWaalsContact C-N 3.33Å; L819-E821 PolarHBondContact O-N 3.37Å; L819-K822 PolarHBondContact O-N 3.19Å; L819-A823 WeakPolarHBondContact O-CB 3.46Å; L819-A823 PolarHBondContact O-N 2.96Å; L819-L831 HydrophobicContact CD1-CD2 4.07Å; L819-L831 HydrophobicContact CD2-CD1 4.35Å; L819-L831 HydrophobicContact CG-CD2 4.39Å; L819-T835 HydrophobicContact CD2-CG2 3.89Å; L819-T835 HydrophobicContact CG-CG2 4.18Å |
| 820 | Y | 89.1 | Confident | 86.4 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.1 | -45.2 | 177.7 | 166.1 | -99.3 | 0 | 0 | 0 | 111.9 | Y531 R534 L816 K817 A823 C824 V832 A836 L839 | Y531-Y820 WeakPolarHBondContact CB-OH 3.38Å; R534-Y820 VanDerWaalsContact NH1-CE1 3.29Å; L816-Y820 VanDerWaalsContact O-CB 3.3Å; L816-Y820 WeakPolarHBondContact O-CB 3.31Å; L816-Y820 PolarHBondContact O-N 3.22Å; K817-Y820 WeakPolarHBondContact O-CB 3.12Å; K817-Y820 PolarHBondContact O-N 3Å; Y820-A823 PolarHBondContact O-N 3.21Å; Y820-C824 PolarHBondContact O-N 3.33Å; Y820-C824 PolarHBondContact O-SG 3.35Å; Y820-C824 VanDerWaalsContact O-SG 3.34Å; Y820-V832 HydrophobicContact CD2-CG1 4.44Å; Y820-V832 HydrophobicContact CE2-CG1 3.94Å; Y820-A836 HydrophobicContact CD2-CB 4.43Å; Y820-A836 HydrophobicContact CE2-CB 4.09Å; Y820-L839 HydrophobicContact CG-CD1 4.13Å |
| 821 | E | 84.4 | Confident | 86.6 | Confident | 56 Ų | 56 | 37.6 Ų | 37.6 | 26% | 0.262 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 176.9 | -73.6 | 177 | -176.5 | 0 | 0 | 112.6 | K817 L819 C824 Q825 | K817-E821 WeakPolarHBondContact O-CG 3.44Å; K817-E821 PolarHBondContact O-N 3.36Å; L819-E821 VanDerWaalsContact C-N 3.33Å; L819-E821 PolarHBondContact O-N 3.37Å; E821-C824 PolarHBondContact O-N 2.88Å; E821-Q825 WeakPolarHBondContact O-CG 3.45Å; E821-Q825 PolarHBondContact O-N 3.19Å |
| 822 | K | 85.9 | Confident | 86.7 | Confident | 63 Ų | 63 | 36.3 Ų | 36.3 | 27% | 0.274 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64 | -41.5 | 176.3 | -69.6 | 174.8 | -174.8 | 176.4 | 0 | 111.9 | L781 G818 L819 C824 Q825 Q826 | L781-K822 HydrophobicContact CD1-CB 4.02Å; L781-K822 HydrophobicContact CD2-CB 4.04Å; L781-K822 HydrophobicContact CD2-CD 4.08Å; G818-K822 WeakPolarHBondContact O-CG 3.33Å; G818-K822 PolarHBondContact O-N 2.94Å; L819-K822 PolarHBondContact O-N 3.19Å; K822-C824 VanDerWaalsContact C-N 3.32Å; K822-C824 PolarHBondContact O-N 3.44Å; K822-Q825 PolarHBondContact O-N 3.05Å; K822-Q826 PolarHBondContact O-N 3.07Å |
| 823 | A | 88 | Confident | 86.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L819 Y820 Q826 K827 L828 L831 V832 | L819-A823 WeakPolarHBondContact O-CB 3.46Å; L819-A823 PolarHBondContact O-N 2.96Å; Y820-A823 PolarHBondContact O-N 3.21Å; A823-Q826 CarbonylContact O-C 3.55Å; A823-Q826 PolarHBondContact O-N 3.41Å; A823-K827 PolarHBondContact O-N 2.63Å; A823-L828 PolarHBondContact O-N 3.09Å; A823-L831 HydrophobicContact CB-CB 4.27Å; A823-L831 HydrophobicContact CB-CD2 3.95Å; A823-L831 HydrophobicContact CB-CG 4.05Å; A823-V832 HydrophobicContact CB-CG2 3.83Å |
| 824 | C | 83.4 | Confident | 87 | Confident | 16 Ų | 16 | 32.9 Ų | 32.9 | 11% | 0.108 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -42.7 | 173.8 | -70.4 | 0 | 0 | 0 | 0 | 112.7 | R534 Y820 E821 K822 Q826 K827 V832 | R534-C824 VanDerWaalsContact CD-SG 3.51Å; R534-C824 PolarHBondContact NH1-SG 3.28Å; Y820-C824 PolarHBondContact O-N 3.33Å; Y820-C824 PolarHBondContact O-SG 3.35Å; Y820-C824 VanDerWaalsContact O-SG 3.34Å; E821-C824 PolarHBondContact O-N 2.88Å; K822-C824 VanDerWaalsContact C-N 3.32Å; K822-C824 PolarHBondContact O-N 3.44Å; C824-Q826 VanDerWaalsContact C-N 3.28Å; C824-Q826 PolarHBondContact O-N 3.47Å; C824-K827 PolarHBondContact O-N 2.79Å; C824-K827 VanDerWaalsContact O-N 3.08Å; C824-V832 HydrophobicContact CB-CG2 4.39Å; C824-V832 VanDerWaalsContact SG-CG2 3.54Å |
| 825 | Q | 80.3 | Confident | 87.2 | Confident | 137 Ų | 137 | 31.1 Ų | 31.1 | 64% | 0.64 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -61.4 | -37.2 | 176.8 | -71.4 | 171.5 | 10.8 | 0 | 0 | 112.2 | E821 K822 K827 | E821-Q825 WeakPolarHBondContact O-CG 3.45Å; E821-Q825 PolarHBondContact O-N 3.19Å; K822-Q825 PolarHBondContact O-N 3.05Å; Q825-K827 VanDerWaalsContact C-N 3.32Å |
| 826 | Q | 82.9 | Confident | 87.3 | Confident | 119 Ų | 119 | 30.4 Ų | 30.4 | 56% | 0.556 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -2.3 | 176.6 | -63.5 | -170.4 | 22.6 | 0 | 0 | 113.8 | L781 K822 A823 C824 L828 | L781-Q826 HydrophobicContact CD1-CB 4.46Å; L781-Q826 VanDerWaalsContact CD1-CD 3.44Å; L781-Q826 HydrophobicContact CD1-CG 4.19Å; K822-Q826 PolarHBondContact O-N 3.07Å; A823-Q826 CarbonylContact O-C 3.55Å; A823-Q826 PolarHBondContact O-N 3.41Å; C824-Q826 VanDerWaalsContact C-N 3.28Å; C824-Q826 PolarHBondContact O-N 3.47Å; Q826-L828 VanDerWaalsContact C-N 3.25Å; Q826-L828 HydrophobicContact CB-CD1 4.3Å; Q826-L828 HydrophobicContact CB-CG 4.02Å; Q826-L828 PolarHBondContact O-N 2.95Å |
| 827 | K | 83.3 | Confident | 87.2 | Confident | 56 Ų | 56 | 30.5 Ų | 30.5 | 24% | 0.243 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 34.5 | -178.2 | -56.9 | 179.3 | 175.8 | -176.7 | 0 | 113.6 | D573 A823 C824 Q825 W829 | D573-K827 IonicContact OD1-NZ 2.85Å; D573-K827 PolarHBondContact OD1-NZ 3.47Å; D573-K827 IonicContact OD2-NZ 2.8Å; D573-K827 PolarHBondContact OD2-NZ 2.97Å; A823-K827 PolarHBondContact O-N 2.63Å; C824-K827 PolarHBondContact O-N 2.79Å; C824-K827 VanDerWaalsContact O-N 3.08Å; Q825-K827 VanDerWaalsContact C-N 3.32Å; K827-W829 VanDerWaalsContact C-N 3.31Å; K827-W829 VanDerWaalsContact O-CD1 3.23Å; K827-W829 PolarHBondContact O-N 3.47Å |
| 828 | L | 87.8 | Confident | 87.2 | Confident | 50 Ų | 50 | 27.1 Ų | 27.1 | 26% | 0.262 | 13% | 0.134 | S | C | . | . | trans | -81.9 | 74.2 | 175.6 | -63.1 | 178.5 | 0 | 0 | 0 | 110.2 | L781 A823 Q826 G830 L831 V832 | L781-L828 HydrophobicContact CB-CD1 4.15Å; L781-L828 HydrophobicContact CD1-CD1 3.88Å; A823-L828 PolarHBondContact O-N 3.09Å; Q826-L828 VanDerWaalsContact C-N 3.25Å; Q826-L828 HydrophobicContact CB-CD1 4.3Å; Q826-L828 HydrophobicContact CB-CG 4.02Å; Q826-L828 PolarHBondContact O-N 2.95Å; L828-G830 VanDerWaalsContact C-N 3.29Å; L828-G830 PolarHBondContact O-N 3.5Å; L828-L831 HydrophobicContact CB-CB 4.24Å; L828-L831 PolarHBondContact O-N 3.37Å; L828-V832 WeakPolarHBondContact O-CG2 3.21Å; L828-V832 PolarHBondContact O-N 3.18Å | ||
| 829 | W | 90.3 | Very high | 87.2 | Confident | 12 Ų | 12 | 27.8 Ų | 27.8 | 5% | 0.045 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.9 | -31.7 | -166.8 | -64.7 | 108.7 | 0 | 0 | 0 | 115 | R534 D535 K827 L831 V832 R833 L952 S955 P956 | R534-W829 HydrophobicContact CB-CH2 4.33Å; D535-W829 HydrophobicContact CB-CH2 3.88Å; D535-W829 HydrophobicContact CB-CZ2 4.05Å; K827-W829 VanDerWaalsContact C-N 3.31Å; K827-W829 VanDerWaalsContact O-CD1 3.23Å; K827-W829 PolarHBondContact O-N 3.47Å; W829-L831 VanDerWaalsContact C-N 3.35Å; W829-V832 HydrophobicContact CE3-CB 4.28Å; W829-V832 HydrophobicContact CE3-CG1 4.18Å; W829-V832 HydrophobicContact CE3-CG2 4.43Å; W829-V832 HydrophobicContact CZ3-CG1 4.38Å; W829-V832 PolarHBondContact O-N 3.39Å; W829-R833 WeakPolarHBondContact O-CG 3.4Å; W829-R833 PolarHBondContact O-N 3.49Å; W829-L952 CarbonylContact C-O 3.5Å; W829-S955 VanDerWaalsContact CD1-CA 3.47Å; W829-S955 VanDerWaalsContact NE1-CB 3.28Å; W829-P956 HydrophobicContact CE3-CG 4.09Å; W829-P956 HydrophobicContact CH2-CG 4.22Å; W829-P956 HydrophobicContact CZ3-CG 3.89Å |
| 830 | G | 88.2 | Confident | 86.9 | Confident | 8 Ų | 8 | 29 Ų | 29 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L828 H834 L952 N953 | L828-G830 VanDerWaalsContact C-N 3.29Å; L828-G830 PolarHBondContact O-N 3.5Å; G830-H834 WeakPolarHBondContact O-CB 3.39Å; G830-H834 PolarHBondContact O-N 3.17Å; G830-H834 VanDerWaalsContact O-N 3.14Å; G830-L952 WeakPolarHBondContact CA-O 3.3Å; G830-L952 PolarHBondContact N-O 3.01Å; G830-L952 VanDerWaalsContact N-O 3.1Å; G830-N953 WeakPolarHBondContact CA-OD1 3.3Å; G830-N953 PolarHBondContact N-OD1 3.47Å |
| 831 | L | 89.1 | Confident | 86.6 | Confident | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.8 | -33.5 | 175.7 | -171.1 | 61.8 | 0 | 0 | 0 | 112 | I673 L781 L819 A823 L828 W829 T835 | I673-L831 HydrophobicContact CD1-CD1 3.92Å; L781-L831 HydrophobicContact CB-CD2 3.72Å; L781-L831 WeakPolarHBondContact O-CD2 3.29Å; L819-L831 HydrophobicContact CD1-CD2 4.07Å; L819-L831 HydrophobicContact CD2-CD1 4.35Å; L819-L831 HydrophobicContact CG-CD2 4.39Å; A823-L831 HydrophobicContact CB-CB 4.27Å; A823-L831 HydrophobicContact CB-CD2 3.95Å; A823-L831 HydrophobicContact CB-CG 4.05Å; L828-L831 HydrophobicContact CB-CB 4.24Å; L828-L831 PolarHBondContact O-N 3.37Å; W829-L831 VanDerWaalsContact C-N 3.35Å; L831-T835 HydrophobicContact CD1-CG2 4.12Å; L831-T835 HydrophobicContact CG-CG2 4.32Å; L831-T835 WeakPolarHBondContact O-CB 3.35Å; L831-T835 WeakPolarHBondContact O-CG2 3.06Å; L831-T835 PolarHBondContact O-N 3.47Å; L831-T835 PolarHBondContact O-OG1 3.34Å |
| 832 | V | 90.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 173.3 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | Y531 Y820 A823 C824 L828 W829 H834 T835 A836 | Y531-V832 HydrophobicContact CD2-CG1 3.8Å; Y531-V832 HydrophobicContact CE2-CG1 4.45Å; Y531-V832 HydrophobicContact CG-CG1 4.46Å; Y820-V832 HydrophobicContact CD2-CG1 4.44Å; Y820-V832 HydrophobicContact CE2-CG1 3.94Å; A823-V832 HydrophobicContact CB-CG2 3.83Å; C824-V832 HydrophobicContact CB-CG2 4.39Å; C824-V832 VanDerWaalsContact SG-CG2 3.54Å; L828-V832 WeakPolarHBondContact O-CG2 3.21Å; L828-V832 PolarHBondContact O-N 3.18Å; W829-V832 HydrophobicContact CE3-CB 4.28Å; W829-V832 HydrophobicContact CE3-CG1 4.18Å; W829-V832 HydrophobicContact CE3-CG2 4.43Å; W829-V832 HydrophobicContact CZ3-CG1 4.38Å; W829-V832 PolarHBondContact O-N 3.39Å; V832-H834 VanDerWaalsContact C-N 3.35Å; V832-H834 PolarHBondContact O-N 3.19Å; V832-T835 PolarHBondContact O-OG1 2.96Å; V832-A836 WeakPolarHBondContact O-CB 3.4Å; V832-A836 PolarHBondContact O-N 3.39Å |
| 833 | R | 90.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 178.1 | -74.5 | 177.4 | 177.2 | 105.4 | 5 | 111.5 | Y531 W829 A836 G837 M897 E901 L952 L954 | Y531-R833 HydrophobicContact CE2-CG 4.38Å; W829-R833 WeakPolarHBondContact O-CG 3.4Å; W829-R833 PolarHBondContact O-N 3.49Å; R833-A836 PolarHBondContact O-N 2.7Å; R833-G837 PolarHBondContact O-N 2.78Å; R833-M897 HydrophobicContact CB-CB 4.4Å; R833-M897 HydrophobicContact CB-CG 4.44Å; R833-M897 HydrophobicContact CG-CG 4.49Å; R833-E901 IonicContact CZ-OE1 3.33Å; R833-E901 IonicContact CZ-OE2 3.96Å; R833-E901 IonicContact NE-OE1 2.88Å; R833-E901 PolarHBondContact NE-OE1 2.94Å; R833-E901 IonicContact NE-OE2 3.45Å; R833-E901 IonicContact NH2-OE1 3.71Å; R833-E901 PolarHBondContact NH2-OE1 3.04Å; R833-E901 IonicContact NH2-OE2 2.97Å; R833-E901 PolarHBondContact NH2-OE2 3.2Å; R833-L952 PolarHBondContact NH1-O 3.42Å; R833-L954 PolarHBondContact NH1-O 3.2Å; R833-L954 PolarHBondContact NH2-O 3.1Å; R833-L954 VanDerWaalsContact NH2-O 3.12Å |
| 834 | H | 89.5 | Confident | 85 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -54.9 | 179.4 | -176.5 | 59.9 | 0 | 0 | 0 | 112.5 | I673 Q789 G830 V832 A836 G837 M838 S894 | I673-H834 VanDerWaalsContact CD1-CD2 3.46Å; I673-H834 WeakPolarHBondContact CD1-CD2 3.46Å; I673-H834 WeakPolarHBondContact CG1-NE2 3.43Å; Q789-H834 PolarHBondContact OE1-CE1 3.19Å; Q789-H834 PolarHBondContact OE1-NE2 3.31Å; G830-H834 WeakPolarHBondContact O-CB 3.39Å; G830-H834 PolarHBondContact O-N 3.17Å; G830-H834 VanDerWaalsContact O-N 3.14Å; V832-H834 VanDerWaalsContact C-N 3.35Å; V832-H834 PolarHBondContact O-N 3.19Å; H834-A836 VanDerWaalsContact C-N 3.31Å; H834-A836 PolarHBondContact O-N 2.79Å; H834-G837 PolarHBondContact O-N 2.98Å; H834-M838 PolarHBondContact NE2-SD 2.95Å; H834-M838 VanDerWaalsContact NE2-SD 3.41Å; H834-M838 WeakPolarHBondContact O-CG 3.46Å; H834-M838 PolarHBondContact O-N 2.76Å; H834-M838 VanDerWaalsContact O-N 3.15Å; H834-S894 WeakPolarHBondContact CB-OG 3.42Å; H834-S894 PolarHBondContact ND1-OG 3.3Å |
| 835 | T | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.1 | -31.2 | -179.7 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | L816 L819 L831 V832 L839 | L816-T835 HydrophobicContact CD1-CG2 3.73Å; L819-T835 HydrophobicContact CD2-CG2 3.89Å; L819-T835 HydrophobicContact CG-CG2 4.18Å; L831-T835 HydrophobicContact CD1-CG2 4.12Å; L831-T835 HydrophobicContact CG-CG2 4.32Å; L831-T835 WeakPolarHBondContact O-CB 3.35Å; L831-T835 WeakPolarHBondContact O-CG2 3.06Å; L831-T835 PolarHBondContact O-N 3.47Å; L831-T835 PolarHBondContact O-OG1 3.34Å; V832-T835 PolarHBondContact O-OG1 2.96Å; T835-L839 WeakPolarHBondContact O-CB 3.45Å; T835-L839 VanDerWaalsContact O-CG 3.26Å; T835-L839 WeakPolarHBondContact O-CG 3.24Å; T835-L839 PolarHBondContact O-N 3.06Å |
| 836 | A | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.1 | -43.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y531 Y820 V832 R833 H834 L839 G840 K841 M897 | Y531-A836 HydrophobicContact CD1-CB 4.09Å; Y531-A836 HydrophobicContact CE1-CB 4.42Å; Y531-A836 HydrophobicContact CG-CB 4.38Å; Y820-A836 HydrophobicContact CD2-CB 4.43Å; Y820-A836 HydrophobicContact CE2-CB 4.09Å; V832-A836 WeakPolarHBondContact O-CB 3.4Å; V832-A836 PolarHBondContact O-N 3.39Å; R833-A836 PolarHBondContact O-N 2.7Å; H834-A836 VanDerWaalsContact C-N 3.31Å; H834-A836 PolarHBondContact O-N 2.79Å; A836-L839 PolarHBondContact O-N 2.83Å; A836-G840 PolarHBondContact O-N 2.87Å; A836-G840 VanDerWaalsContact O-N 3.16Å; A836-K841 HydrophobicContact CB-CB 3.98Å; A836-K841 HydrophobicContact CB-CG 4.21Å; A836-K841 WeakPolarHBondContact O-CB 3.17Å; A836-K841 PolarHBondContact O-N 2.77Å; A836-M897 HydrophobicContact CB-CE 4.33Å |
| 837 | G | 86.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.3 | -53.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R833 H834 L839 G840 M897 | R833-G837 PolarHBondContact O-N 2.78Å; H834-G837 PolarHBondContact O-N 2.98Å; G837-L839 VanDerWaalsContact C-N 3.31Å; G837-L839 PolarHBondContact O-N 2.92Å; G837-G840 WeakPolarHBondContact O-CA 3.46Å; G837-G840 PolarHBondContact O-N 2.82Å; G837-M897 VanDerWaalsContact CA-CE 3.49Å |
| 838 | M | 86.5 | Confident | 83.8 | Confident | 19 Ų | 19 | 20.7 Ų | 20.7 | 9% | 0.094 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.1 | -36.8 | 176.8 | -65.7 | 166.6 | 65.7 | 0 | 0 | 113.8 | Q789 V792 L816 H834 G840 E893 | Q789-M838 PolarHBondContact OE1-SD 2.87Å; Q789-M838 VanDerWaalsContact OE1-SD 3.36Å; V792-M838 HydrophobicContact CB-CE 3.8Å; V792-M838 HydrophobicContact CG1-CE 4.19Å; V792-M838 HydrophobicContact CG2-CE 3.4Å; L816-M838 HydrophobicContact CD1-CE 3.68Å; L816-M838 HydrophobicContact CD1-SD 4.07Å; L816-M838 HydrophobicContact CD2-CB 3.73Å; L816-M838 HydrophobicContact CD2-CE 3.71Å; L816-M838 HydrophobicContact CD2-SD 4.44Å; L816-M838 HydrophobicContact CG-CE 4.37Å; H834-M838 PolarHBondContact NE2-SD 2.95Å; H834-M838 VanDerWaalsContact NE2-SD 3.41Å; H834-M838 WeakPolarHBondContact O-CG 3.46Å; H834-M838 PolarHBondContact O-N 2.76Å; H834-M838 VanDerWaalsContact O-N 3.15Å; M838-G840 PolarHBondContact O-N 3Å; M838-E893 HydrophobicContact CG-CG 4.44Å |
| 839 | L | 87.1 | Confident | 83.6 | Confident | 24 Ų | 24 | 18.5 Ų | 18.5 | 13% | 0.126 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.4 | 176.8 | -75.7 | 171.3 | 0 | 0 | 0 | 113.4 | R813 L816 K817 Y820 T835 A836 G837 K841 | R813-L839 HydrophobicContact CG-CD2 4.11Å; L816-L839 HydrophobicContact CB-CD2 4.17Å; L816-L839 HydrophobicContact CD2-CD2 3.66Å; L816-L839 HydrophobicContact CD2-CG 3.64Å; L816-L839 HydrophobicContact CG-CD1 4.22Å; L816-L839 HydrophobicContact CG-CD2 3.94Å; L816-L839 HydrophobicContact CG-CG 3.82Å; K817-L839 HydrophobicContact CG-CD1 4.17Å; K817-L839 HydrophobicContact CG-CD2 3.93Å; Y820-L839 HydrophobicContact CG-CD1 4.13Å; T835-L839 WeakPolarHBondContact O-CB 3.45Å; T835-L839 VanDerWaalsContact O-CG 3.26Å; T835-L839 WeakPolarHBondContact O-CG 3.24Å; T835-L839 PolarHBondContact O-N 3.06Å; A836-L839 PolarHBondContact O-N 2.83Å; G837-L839 VanDerWaalsContact C-N 3.31Å; G837-L839 PolarHBondContact O-N 2.92Å; L839-K841 VanDerWaalsContact C-N 3.32Å; L839-K841 HydrophobicContact CB-CG 4.2Å |
| 840 | G | 81.9 | Confident | 83.3 | Confident | 28 Ų | 28 | 18 Ų | 18 | 29% | 0.289 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 27.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A836 G837 M838 R882 | A836-G840 PolarHBondContact O-N 2.87Å; A836-G840 VanDerWaalsContact O-N 3.16Å; G837-G840 WeakPolarHBondContact O-CA 3.46Å; G837-G840 PolarHBondContact O-N 2.82Å; M838-G840 PolarHBondContact O-N 3Å; G840-R882 VanDerWaalsContact CA-NH2 3.3Å; G840-R882 PolarHBondContact O-NH1 3.23Å |
| 841 | K | 83.3 | Confident | 82.8 | Confident | 53 Ų | 53 | 18.3 Ų | 18.3 | 23% | 0.23 | 10% | 0.096 | C | C | . | . | trans | -61.9 | 162.9 | 170.9 | -66.2 | -68.9 | -170.2 | 178 | 0 | 110.5 | E528 A836 L839 R882 | E528-K841 PolarHBondContact O-NZ 3.38Å; A836-K841 HydrophobicContact CB-CB 3.98Å; A836-K841 HydrophobicContact CB-CG 4.21Å; A836-K841 WeakPolarHBondContact O-CB 3.17Å; A836-K841 PolarHBondContact O-N 2.77Å; L839-K841 VanDerWaalsContact C-N 3.32Å; L839-K841 HydrophobicContact CB-CG 4.2Å; K841-R882 PolarHBondContact O-NH1 3.29Å | ||
| 842 | R | 73.1 | Confident | 82.2 | Confident | 103 Ų | 103 | 18.6 Ų | 18.6 | 39% | 0.389 | 10% | 0.098 | S | C | . | . | B | Isolated β-bridge | trans | -117.9 | 153.1 | -173 | -60.3 | 175.9 | -176.6 | -167 | -15.5 | 111 | E529 Y530 E878 | E529-R842 HydrophobicContact CG-CB 4.49Å; E529-R842 PolarHBondContact O-N 3.39Å; E529-R842 VanDerWaalsContact OE1-CD 3.26Å; E529-R842 WeakPolarHBondContact OE1-CD 3.27Å; E529-R842 IonicContact OE1-CZ 3.61Å; E529-R842 IonicContact OE1-NE 3.41Å; E529-R842 IonicContact OE1-NH1 3.77Å; E529-R842 PolarHBondContact OE1-NH1 2.98Å; Y530-R842 HydrophobicContact CD1-CB 4.19Å; Y530-R842 HydrophobicContact CE1-CB 4.1Å; R842-E878 IonicContact CZ-OE1 3.77Å; R842-E878 IonicContact NE-OE1 3.38Å; R842-E878 IonicContact NH1-OE1 3.23Å |
| 843 | V | 78.1 | Confident | 81.9 | Confident | 5 Ų | 5 | 18.6 Ų | 18.6 | 3% | 0.03 | 10% | 0.098 | C | C | . | . | trans | -96.3 | 138.2 | 159.9 | -171.7 | 0 | 0 | 0 | 0 | 107.8 | Y531 T532 M897 Q900 E901 V904 | Y531-V843 HydrophobicContact CE1-CG2 4Å; T532-V843 HydrophobicContact CG2-CG1 4.44Å; V843-M897 HydrophobicContact CG2-SD 3.68Å; V843-Q900 HydrophobicContact CB-CB 4.09Å; V843-Q900 HydrophobicContact CG2-CB 3.61Å; V843-E901 HydrophobicContact CG2-CG 4.33Å; V843-V904 HydrophobicContact CG1-CB 4.25Å; V843-V904 HydrophobicContact CG1-CG2 3.75Å | ||
| 844 | E | 72.9 | Confident | 81.4 | Confident | 9 Ų | 9 | 19.3 Ų | 19.3 | 4% | 0.042 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 136.3 | -176 | -67.6 | 172.1 | 178.6 | 0 | 0 | 112.9 | H524 Y530 T533 L846 V904 | H524-E844 VanDerWaalsContact C-OE1 3.29Å; H524-E844 VanDerWaalsContact CA-CD 3.42Å; H524-E844 WeakPolarHBondContact CA-OE1 3.13Å; H524-E844 WeakPolarHBondContact CA-OE2 3.28Å; H524-E844 VanDerWaalsContact CB-OE2 3.23Å; H524-E844 WeakPolarHBondContact CB-OE2 3.45Å; H524-E844 IonicContact CD2-OE2 2.8Å; H524-E844 PolarHBondContact CD2-OE2 2.96Å; H524-E844 IonicContact CG-OE2 3.82Å; Y530-E844 VanDerWaalsContact CB-OE1 3.23Å; Y530-E844 WeakPolarHBondContact CB-OE1 3.44Å; Y530-E844 HydrophobicContact CD1-CB 4.06Å; Y530-E844 HydrophobicContact CD1-CG 3.21Å; Y530-E844 HydrophobicContact CD2-CG 3.4Å; Y530-E844 WeakPolarHBondContact CD2-OE1 3.5Å; Y530-E844 VanDerWaalsContact CE1-CA 3.49Å; Y530-E844 HydrophobicContact CE1-CB 4.15Å; Y530-E844 HydrophobicContact CE1-CG 3.62Å; Y530-E844 HydrophobicContact CE2-CG 3.79Å; Y530-E844 HydrophobicContact CG-CB 4.34Å; Y530-E844 HydrophobicContact CG-CG 3.07Å; T533-E844 WeakPolarHBondContact CG2-OE1 3.25Å; E844-L846 PolarHBondContact O-N 3.49Å; E844-V904 VanDerWaalsContact O-CG2 3.31Å; E844-V904 WeakPolarHBondContact O-CG2 3.45Å |
| 845 | D | 72.6 | Confident | 80.4 | Confident | 29 Ų | 29 | 19.4 Ų | 19.4 | 16% | 0.155 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 28.5 | 169.3 | -83.1 | -4.7 | 0 | 0 | 0 | 114.1 | H524 A847 K848 A849 | H524-D845 IonicContact CE1-OD2 3.72Å; H524-D845 IonicContact NE2-OD2 2.66Å; H524-D845 PolarHBondContact NE2-OD2 3.3Å; D845-A847 PolarHBondContact O-N 3.3Å; D845-K848 HydrophobicContact CB-CB 4.2Å; D845-K848 HydrophobicContact CB-CD 4.2Å; D845-K848 CarbonylContact O-C 3.57Å; D845-K848 WeakPolarHBondContact O-CA 3.37Å; D845-K848 WeakPolarHBondContact O-CB 3.46Å; D845-K848 PolarHBondContact O-N 3.06Å; D845-K848 VanDerWaalsContact O-N 3.11Å; D845-K848 WeakPolarHBondContact OD2-CD 3.43Å; D845-K848 IonicContact OD2-NZ 3.56Å; D845-K848 PolarHBondContact OD2-NZ 2.92Å; D845-A849 WeakPolarHBondContact O-CB 3.38Å; D845-A849 PolarHBondContact O-N 3.34Å |
| 846 | L | 81.9 | Confident | 79.7 | Confident | 12 Ų | 12 | 21.5 Ų | 21.5 | 6% | 0.063 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.6 | -53.9 | -173.5 | 179.8 | 65.9 | 0 | 0 | 0 | 113.2 | E844 K848 A849 V850 L881 I885 Q900 M903 V904 | E844-L846 PolarHBondContact O-N 3.49Å; L846-K848 PolarHBondContact O-N 3.37Å; L846-A849 WeakPolarHBondContact O-CB 3.5Å; L846-A849 PolarHBondContact O-N 2.89Å; L846-V850 WeakPolarHBondContact O-CG2 3.4Å; L846-V850 PolarHBondContact O-N 3.19Å; L846-L881 HydrophobicContact CD2-CD2 4.06Å; L846-L881 HydrophobicContact CD2-CG 4.41Å; L846-L881 HydrophobicContact CG-CD2 3.81Å; L846-I885 HydrophobicContact CD2-CD1 3.93Å; L846-Q900 HydrophobicContact CD1-CB 4.06Å; L846-Q900 HydrophobicContact CD1-CG 4.25Å; L846-Q900 HydrophobicContact CD2-CB 4.26Å; L846-Q900 HydrophobicContact CD2-CG 3.69Å; L846-M903 HydrophobicContact CD1-CB 4.09Å; L846-M903 HydrophobicContact CD1-SD 4.16Å; L846-V904 HydrophobicContact CD1-CG2 4.28Å |
| 847 | A | 75.8 | Confident | 79 | Confident | 23 Ų | 23 | 22.7 Ų | 22.7 | 19% | 0.19 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.2 | -37.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D845 T851 E878 L881 | D845-A847 PolarHBondContact O-N 3.3Å; A847-T851 WeakPolarHBondContact O-CB 3.35Å; A847-T851 PolarHBondContact O-N 2.95Å; A847-T851 PolarHBondContact O-OG1 3.4Å; A847-E878 HydrophobicContact CB-CB 4.15Å; A847-L881 HydrophobicContact CB-CD2 4.34Å |
| 848 | K | 74.5 | Confident | 79 | Confident | 45 Ų | 45 | 23.9 Ų | 23.9 | 20% | 0.196 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.8 | -37.7 | 174.8 | 177.8 | -178.5 | 164.8 | -161.8 | 0 | 112.2 | D845 L846 T851 D852 | D845-K848 HydrophobicContact CB-CB 4.2Å; D845-K848 HydrophobicContact CB-CD 4.2Å; D845-K848 CarbonylContact O-C 3.57Å; D845-K848 WeakPolarHBondContact O-CA 3.37Å; D845-K848 WeakPolarHBondContact O-CB 3.46Å; D845-K848 PolarHBondContact O-N 3.06Å; D845-K848 VanDerWaalsContact O-N 3.11Å; D845-K848 WeakPolarHBondContact OD2-CD 3.43Å; D845-K848 IonicContact OD2-NZ 3.56Å; D845-K848 PolarHBondContact OD2-NZ 2.92Å; L846-K848 PolarHBondContact O-N 3.37Å; K848-T851 CarbonylContact O-C 3.51Å; K848-T851 WeakPolarHBondContact O-CB 3.37Å; K848-T851 PolarHBondContact O-N 2.86Å; K848-D852 WeakPolarHBondContact O-CB 3.48Å; K848-D852 PolarHBondContact O-N 3.5Å |
| 849 | A | 83.3 | Confident | 79 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D845 L846 T851 D852 L853 V904 A907 | D845-A849 WeakPolarHBondContact O-CB 3.38Å; D845-A849 PolarHBondContact O-N 3.34Å; L846-A849 WeakPolarHBondContact O-CB 3.5Å; L846-A849 PolarHBondContact O-N 2.89Å; A849-T851 VanDerWaalsContact C-N 3.35Å; A849-D852 WeakPolarHBondContact O-CB 3.17Å; A849-D852 PolarHBondContact O-N 3.02Å; A849-L853 WeakPolarHBondContact O-CG 3.41Å; A849-L853 PolarHBondContact O-N 3.2Å; A849-L853 VanDerWaalsContact O-N 3.12Å; A849-V904 HydrophobicContact CB-CB 4.4Å; A849-V904 HydrophobicContact CB-CG2 3.88Å; A849-A907 HydrophobicContact CB-CB 3.47Å; A849-A907 VanDerWaalsContact CB-CB 3.47Å; A849-A907 WeakPolarHBondContact O-CB 3.21Å |
| 850 | V | 85.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | L846 D852 L853 L854 I872 L881 M903 | L846-V850 WeakPolarHBondContact O-CG2 3.4Å; L846-V850 PolarHBondContact O-N 3.19Å; V850-D852 VanDerWaalsContact C-N 3.32Å; V850-D852 PolarHBondContact O-N 2.85Å; V850-L853 PolarHBondContact O-N 3.43Å; V850-L854 HydrophobicContact CG1-CD1 3.78Å; V850-L854 HydrophobicContact CG1-CG 4.2Å; V850-L854 VanDerWaalsContact O-CG 3.27Å; V850-L854 WeakPolarHBondContact O-CG 3.23Å; V850-L854 PolarHBondContact O-N 3.01Å; V850-I872 HydrophobicContact CG1-CD1 4.28Å; V850-I872 HydrophobicContact CG1-CG2 3.9Å; V850-L881 HydrophobicContact CB-CD2 4.27Å; V850-L881 HydrophobicContact CG2-CD1 4.24Å; V850-L881 HydrophobicContact CG2-CD2 3.56Å; V850-M903 HydrophobicContact CB-CE 4.48Å; V850-M903 HydrophobicContact CG1-CE 4.47Å; V850-M903 HydrophobicContact CG2-CE 3.31Å; V850-M903 HydrophobicContact CG2-SD 4.38Å |
| 851 | T | 76.1 | Confident | 79.6 | Confident | 14 Ų | 14 | 21.8 Ų | 21.8 | 9% | 0.086 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.9 | -48.2 | 174.8 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | Y176 A847 K848 A849 L853 L854 V855 P875 | Y176-T851 HydrophobicContact CD2-CG2 3.54Å; Y176-T851 HydrophobicContact CE2-CG2 3.51Å; A847-T851 WeakPolarHBondContact O-CB 3.35Å; A847-T851 PolarHBondContact O-N 2.95Å; A847-T851 PolarHBondContact O-OG1 3.4Å; K848-T851 CarbonylContact O-C 3.51Å; K848-T851 WeakPolarHBondContact O-CB 3.37Å; K848-T851 PolarHBondContact O-N 2.86Å; A849-T851 VanDerWaalsContact C-N 3.35Å; T851-L853 PolarHBondContact O-N 3.22Å; T851-L854 PolarHBondContact O-N 2.97Å; T851-V855 HydrophobicContact CG2-CG2 3.9Å; T851-V855 WeakPolarHBondContact O-CB 3.49Å; T851-V855 WeakPolarHBondContact O-CG2 3.49Å; T851-V855 PolarHBondContact O-N 3.28Å; T851-P875 HydrophobicContact CG2-CB 4.42Å; T851-P875 HydrophobicContact CG2-CG 4.17Å |
| 852 | D | 76.4 | Confident | 80 | Confident | 18 Ų | 18 | 19.3 Ų | 19.3 | 10% | 0.096 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.6 | -34.2 | -180 | -96.5 | -37.9 | 0 | 0 | 0 | 113.1 | K848 A849 V850 R856 A907 R911 | K848-D852 WeakPolarHBondContact O-CB 3.48Å; K848-D852 PolarHBondContact O-N 3.5Å; A849-D852 WeakPolarHBondContact O-CB 3.17Å; A849-D852 PolarHBondContact O-N 3.02Å; V850-D852 VanDerWaalsContact C-N 3.32Å; V850-D852 PolarHBondContact O-N 2.85Å; D852-R856 WeakPolarHBondContact O-CG 3.41Å; D852-R856 PolarHBondContact O-NH1 3.3Å; D852-R856 IonicContact OD1-CZ 3.44Å; D852-R856 IonicContact OD1-NH1 2.83Å; D852-R856 PolarHBondContact OD1-NH1 3.41Å; D852-A907 HydrophobicContact CB-CB 4.18Å; D852-R911 WeakPolarHBondContact OD2-CD 3.49Å; D852-R911 IonicContact OD2-NE 4Å |
| 853 | L | 85.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -74.2 | -51.5 | 175.2 | -67.1 | 169 | 0 | 0 | 0 | 111.2 | A849 V850 T851 V855 R856 Q857 K858 V860 L906 A907 I910 L923 | A849-L853 WeakPolarHBondContact O-CG 3.41Å; A849-L853 PolarHBondContact O-N 3.2Å; A849-L853 VanDerWaalsContact O-N 3.12Å; V850-L853 PolarHBondContact O-N 3.43Å; T851-L853 PolarHBondContact O-N 3.22Å; L853-V855 VanDerWaalsContact C-N 3.35Å; L853-V855 PolarHBondContact O-N 2.91Å; L853-R856 CarbonylContact O-C 3.59Å; L853-R856 PolarHBondContact O-N 2.89Å; L853-R856 VanDerWaalsContact O-N 3.16Å; L853-Q857 PolarHBondContact O-N 3.17Å; L853-K858 CarbonylContact C-O 3.59Å; L853-K858 HydrophobicContact CB-CB 4.36Å; L853-K858 WeakPolarHBondContact O-CB 3.42Å; L853-K858 PolarHBondContact O-N 3.1Å; L853-V860 HydrophobicContact CB-CG2 3.77Å; L853-V860 HydrophobicContact CD1-CG2 3.69Å; L853-V860 HydrophobicContact CG-CG2 4.34Å; L853-L906 HydrophobicContact CD1-CB 4.07Å; L853-L906 HydrophobicContact CD2-CB 4.04Å; L853-A907 HydrophobicContact CD1-CB 4.43Å; L853-A907 HydrophobicContact CD2-CB 4.5Å; L853-A907 HydrophobicContact CG-CB 4.13Å; L853-I910 HydrophobicContact CD2-CB 4.25Å; L853-I910 HydrophobicContact CD2-CD1 4.12Å; L853-I910 HydrophobicContact CD2-CG2 3.89Å; L853-L923 HydrophobicContact CD1-CD1 4.38Å; L853-L923 HydrophobicContact CD2-CD1 3.66Å; L853-L923 HydrophobicContact CG-CD1 4.49Å |
| 854 | L | 79.7 | Confident | 80.8 | Confident | 15 Ų | 15 | 15.1 Ų | 15.1 | 8% | 0.079 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | -178.3 | -67.5 | 172.5 | 0 | 0 | 0 | 112.6 | V850 T851 R856 Q857 K858 I872 A874 P875 | V850-L854 HydrophobicContact CG1-CD1 3.78Å; V850-L854 HydrophobicContact CG1-CG 4.2Å; V850-L854 VanDerWaalsContact O-CG 3.27Å; V850-L854 WeakPolarHBondContact O-CG 3.23Å; V850-L854 PolarHBondContact O-N 3.01Å; T851-L854 PolarHBondContact O-N 2.97Å; L854-R856 VanDerWaalsContact C-N 3.26Å; L854-R856 PolarHBondContact O-N 3.3Å; L854-Q857 VanDerWaalsContact O-CA 3.26Å; L854-Q857 WeakPolarHBondContact O-CA 3.33Å; L854-Q857 PolarHBondContact O-N 3.22Å; L854-K858 WeakPolarHBondContact CA-O 3.25Å; L854-K858 PolarHBondContact N-O 3.44Å; L854-I872 HydrophobicContact CD1-CG2 4.03Å; L854-I872 VanDerWaalsContact CD2-O 3.29Å; L854-I872 WeakPolarHBondContact CD2-O 3.05Å; L854-A874 WeakPolarHBondContact CD1-O 3.43Å; L854-P875 HydrophobicContact CD1-CB 4.49Å; L854-P875 HydrophobicContact CD1-CG 4.04Å; L854-P875 VanDerWaalsContact CD1-N 3.34Å |
| 855 | V | 68.9 | Low | 80.7 | Confident | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -56 | -41.7 | 175.9 | 151.1 | 0 | 0 | 0 | 0 | 112 | V241 S244 T851 L853 Q857 | V241-V855 HydrophobicContact CB-CG1 3.52Å; V241-V855 HydrophobicContact CB-CG2 4.39Å; V241-V855 HydrophobicContact CG1-CB 4.44Å; V241-V855 HydrophobicContact CG1-CG1 3.7Å; V241-V855 HydrophobicContact CG1-CG2 4.2Å; V241-V855 HydrophobicContact CG2-CB 4.01Å; V241-V855 HydrophobicContact CG2-CG1 3.26Å; V241-V855 HydrophobicContact CG2-CG2 3.56Å; S244-V855 PolarHBondContact OG-O 2.95Å; T851-V855 HydrophobicContact CG2-CG2 3.9Å; T851-V855 WeakPolarHBondContact O-CB 3.49Å; T851-V855 WeakPolarHBondContact O-CG2 3.49Å; T851-V855 PolarHBondContact O-N 3.28Å; L853-V855 VanDerWaalsContact C-N 3.35Å; L853-V855 PolarHBondContact O-N 2.91Å; V855-Q857 PolarHBondContact O-N 3.09Å; V855-Q857 PolarHBondContact O-NE2 3.27Å |
| 856 | R | 75.5 | Confident | 80 | Confident | 44 Ų | 44 | 18 Ų | 18 | 17% | 0.166 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 20.5 | 175.7 | -67.3 | 178.6 | -179.9 | 74.1 | 5.2 | 112.1 | D852 L853 L854 K858 I910 | D852-R856 WeakPolarHBondContact O-CG 3.41Å; D852-R856 PolarHBondContact O-NH1 3.3Å; D852-R856 IonicContact OD1-CZ 3.44Å; D852-R856 IonicContact OD1-NH1 2.83Å; D852-R856 PolarHBondContact OD1-NH1 3.41Å; L853-R856 CarbonylContact O-C 3.59Å; L853-R856 PolarHBondContact O-N 2.89Å; L853-R856 VanDerWaalsContact O-N 3.16Å; L854-R856 VanDerWaalsContact C-N 3.26Å; L854-R856 PolarHBondContact O-N 3.3Å; R856-K858 VanDerWaalsContact C-N 3.29Å; R856-K858 WeakPolarHBondContact O-CE 3.48Å; R856-K858 PolarHBondContact O-N 3.17Å; R856-I910 HydrophobicContact CB-CD1 3.63Å; R856-I910 HydrophobicContact CB-CG1 4.34Å; R856-I910 HydrophobicContact CG-CD1 4.37Å |
| 857 | Q | 75 | Confident | 79.1 | Confident | 25 Ų | 25 | 22.3 Ų | 22.3 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 35.5 | 174.6 | -49 | -56.1 | -44.4 | 0 | 0 | 113.3 | N251 L853 L854 V855 L1071 | N251-Q857 PolarHBondContact OD1-OE1 3.27Å; L853-Q857 PolarHBondContact O-N 3.17Å; L854-Q857 VanDerWaalsContact O-CA 3.26Å; L854-Q857 WeakPolarHBondContact O-CA 3.33Å; L854-Q857 PolarHBondContact O-N 3.22Å; V855-Q857 PolarHBondContact O-N 3.09Å; V855-Q857 PolarHBondContact O-NE2 3.27Å; Q857-L1071 HydrophobicContact CB-CD2 3.87Å; Q857-L1071 HydrophobicContact CG-CD2 4.08Å |
| 858 | K | 85.3 | Confident | 79.1 | Confident | 27 Ų | 27 | 25.2 Ų | 25.2 | 12% | 0.117 | 13% | 0.133 | C | C | . | . | trans | -108.8 | 105.9 | 172 | -50.4 | -55 | 171.2 | -174.2 | 0 | 108.6 | L853 L854 R856 I910 F917 M920 L921 L923 | L853-K858 CarbonylContact C-O 3.59Å; L853-K858 HydrophobicContact CB-CB 4.36Å; L853-K858 WeakPolarHBondContact O-CB 3.42Å; L853-K858 PolarHBondContact O-N 3.1Å; L854-K858 WeakPolarHBondContact CA-O 3.25Å; L854-K858 PolarHBondContact N-O 3.44Å; R856-K858 VanDerWaalsContact C-N 3.29Å; R856-K858 WeakPolarHBondContact O-CE 3.48Å; R856-K858 PolarHBondContact O-N 3.17Å; K858-I910 HydrophobicContact CB-CD1 4.46Å; K858-I910 HydrophobicContact CD-CD1 4.36Å; K858-I910 HydrophobicContact CG-CD1 3.4Å; K858-I910 VanDerWaalsContact CG-CD1 3.4Å; K858-F917 PolarHBondContact NZ-O 2.9Å; K858-M920 WeakPolarHBondContact CD-O 3.35Å; K858-M920 WeakPolarHBondContact CE-O 3.34Å; K858-M920 PolarHBondContact NZ-O 3.23Å; K858-L921 CarbonylContact C-O 3.55Å; K858-L921 VanDerWaalsContact CA-O 3.29Å; K858-L921 WeakPolarHBondContact CA-O 3.39Å; K858-L923 HydrophobicContact CB-CD1 3.92Å; K858-L923 HydrophobicContact CB-CG 4.13Å; K858-L923 HydrophobicContact CG-CD1 4.39Å | ||
| 859 | Q | 87.8 | Confident | 79.6 | Confident | 28 Ų | 28 | 25.5 Ų | 25.5 | 13% | 0.131 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 147 | 166.1 | -68.9 | -176.5 | -12.1 | 0 | 0 | 108.8 | T871 L921 R922 L923 | Q859-T871 HydrophobicContact CB-CG2 4.44Å; Q859-L921 PolarHBondContact N-O 2.99Å; Q859-R922 HydrophobicContact CB-CB 4.2Å; Q859-R922 HydrophobicContact CB-CG 3.99Å; Q859-R922 CarbonylContact O-C 3.52Å; Q859-R922 VanDerWaalsContact O-CA 3.31Å; Q859-R922 WeakPolarHBondContact O-CA 3.46Å; Q859-R922 VanDerWaalsContact OE1-NE 3.1Å; Q859-L923 PolarHBondContact O-N 3.1Å |
| 860 | V | 90.3 | Very high | 79.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.7 | -179.6 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | L853 I872 M903 L923 V925 | L853-V860 HydrophobicContact CB-CG2 3.77Å; L853-V860 HydrophobicContact CD1-CG2 3.69Å; L853-V860 HydrophobicContact CG-CG2 4.34Å; V860-I872 PolarHBondContact N-O 3.02Å; V860-I872 WeakPolarHBondContact O-CB 3.49Å; V860-I872 PolarHBondContact O-N 3.32Å; V860-M903 HydrophobicContact CB-CE 4.39Å; V860-M903 HydrophobicContact CG1-CE 3.62Å; V860-M903 HydrophobicContact CG1-CG 4.36Å; V860-L923 WeakPolarHBondContact CA-O 3.42Å; V860-V925 HydrophobicContact CG1-CG2 3.72Å |
| 861 | T | 90.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145.7 | 171 | 73.8 | 0 | 0 | 0 | 0 | 111.3 | E869 H870 T871 R922 L923 R924 V925 | T861-E869 VanDerWaalsContact CB-OE1 3.27Å; T861-E869 WeakPolarHBondContact CB-OE1 3.45Å; T861-E869 HydrophobicContact CG2-CG 4.23Å; T861-E869 PolarHBondContact OG1-OE1 2.91Å; T861-H870 WeakPolarHBondContact CA-O 3.28Å; T861-H870 WeakPolarHBondContact CB-O 3.41Å; T861-T871 HydrophobicContact CG2-CG2 4.15Å; T861-R922 HydrophobicContact CG2-CG 3.92Å; T861-L923 PolarHBondContact N-O 3.32Å; T861-R924 HydrophobicContact CG2-CG 4.22Å; T861-R924 WeakPolarHBondContact OG1-CA 3.33Å; T861-V925 WeakPolarHBondContact O-CB 3.13Å; T861-V925 WeakPolarHBondContact O-CG2 3.31Å; T861-V925 PolarHBondContact O-N 3.15Å |
| 862 | V | 91.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152.5 | 173.9 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | E869 H870 I872 L884 I885 A888 Y889 T899 M903 | V862-E869 WeakPolarHBondContact O-CA 3.41Å; V862-H870 HydrophobicContact CG2-CB 4.31Å; V862-H870 PolarHBondContact N-O 3.38Å; V862-H870 PolarHBondContact O-N 2.99Å; V862-I872 HydrophobicContact CG1-CD1 4.17Å; V862-L884 HydrophobicContact CG2-CD2 3.29Å; V862-I885 HydrophobicContact CB-CG1 4.49Å; V862-I885 HydrophobicContact CG1-CG1 4.24Å; V862-I885 HydrophobicContact CG2-CG1 4.31Å; V862-A888 HydrophobicContact CG2-CB 4.04Å; V862-Y889 HydrophobicContact CB-CE2 4.43Å; V862-T899 HydrophobicContact CB-CG2 4.16Å; V862-T899 HydrophobicContact CG1-CG2 3.8Å; V862-M903 HydrophobicContact CG1-CE 3.78Å; V862-M903 HydrophobicContact CG1-SD 3.81Å |
| 863 | G | 86.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.6 | 175.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N868 Y889 G926 | G863-N868 WeakPolarHBondContact CA-O 3.42Å; G863-Y889 PolarHBondContact N-OH 3.08Å; G863-Y889 VanDerWaalsContact N-OH 3.1Å; G863-Y889 PolarHBondContact O-OH 3.45Å; G863-G926 VanDerWaalsContact O-CA 3.29Å; G863-G926 WeakPolarHBondContact O-CA 3.18Å |
| 864 | M | 81.9 | Confident | 79.5 | Confident | 20 Ų | 20 | 36 Ų | 36 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 105.5 | -172.2 | -65.9 | -59.5 | -67.9 | 0 | 0 | 111.9 | I679 N867 Y889 T895 Q930 | I679-M864 HydrophobicContact CG1-CE 4.34Å; M864-N867 CarbonylContact C-O 3.31Å; M864-N867 CarbonylContact O-C 3.49Å; M864-N867 PolarHBondContact O-N 3.3Å; M864-N867 VanDerWaalsContact O-N 3.15Å; M864-Y889 HydrophobicContact CG-CD1 4.28Å; M864-Y889 HydrophobicContact CG-CE1 3.66Å; M864-Y889 HydrophobicContact SD-CE1 3.91Å; M864-T895 HydrophobicContact SD-CG2 4.38Å; M864-Q930 HydrophobicContact CE-CG 3.63Å |
| 865 | P | 69.9 | Low | 79 | Confident | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 145.9 | -180 | -26.5 | 38.2 | 0 | 0 | 0 | 112.8 | E869 L927 Q930 | P865-E869 HydrophobicContact CG-CG 4.49Å; P865-L927 HydrophobicContact CB-CD2 3.75Å; P865-L927 HydrophobicContact CB-CG 4.42Å; P865-L927 HydrophobicContact CG-CD2 3.66Å; P865-L927 HydrophobicContact CG-CG 3.86Å; P865-Q930 PolarHBondContact O-NE2 2.82Å |
| 866 | P | 57.7 | Low | 79.1 | Confident | 87 Ų | 87 | 39 Ų | 39 | 57% | 0.565 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -85.9 | -3.2 | 3.7 | 34.3 | -35.5 | 0 | 0 | 0 | 115.1 | ||
| 867 | N | 64.2 | Low | 78.8 | Confident | 102 Ų | 102 | 40 Ų | 40 | 55% | 0.545 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.7 | -170.4 | -63.9 | -31.1 | 0 | 0 | 0 | 111.6 | M864 E869 | M864-N867 CarbonylContact C-O 3.31Å; M864-N867 CarbonylContact O-C 3.49Å; M864-N867 PolarHBondContact O-N 3.3Å; M864-N867 VanDerWaalsContact O-N 3.15Å; N867-E869 PolarHBondContact O-N 2.74Å |
| 868 | N | 76.2 | Confident | 78.6 | Confident | 84 Ų | 84 | 42.4 Ų | 42.4 | 45% | 0.449 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.5 | 40.9 | 173.1 | -151.3 | 25.4 | 0 | 0 | 0 | 114.9 | G863 H870 D887 A888 | G863-N868 WeakPolarHBondContact CA-O 3.42Å; N868-H870 PolarHBondContact O-CD2 3.27Å; N868-H870 PolarHBondContact OD1-NE2 3.34Å; N868-D887 PolarHBondContact ND2-O 3.18Å; N868-A888 VanDerWaalsContact ND2-C 3.27Å; N868-A888 WeakPolarHBondContact ND2-CA 3.38Å; N868-A888 PolarHBondContact ND2-O 3.49Å |
| 869 | E | 84.3 | Confident | 78 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 23% | 0.234 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 123.2 | 172.7 | -175.6 | -179.9 | -155.2 | 0 | 0 | 111 | T861 V862 P865 N867 R924 | T861-E869 VanDerWaalsContact CB-OE1 3.27Å; T861-E869 WeakPolarHBondContact CB-OE1 3.45Å; T861-E869 HydrophobicContact CG2-CG 4.23Å; T861-E869 PolarHBondContact OG1-OE1 2.91Å; V862-E869 WeakPolarHBondContact O-CA 3.41Å; P865-E869 HydrophobicContact CG-CG 4.49Å; N867-E869 PolarHBondContact O-N 2.74Å; E869-R924 IonicContact OE1-CZ 2.97Å; E869-R924 IonicContact OE1-NE 2.78Å; E869-R924 PolarHBondContact OE1-NE 3.04Å; E869-R924 IonicContact OE1-NH2 3.79Å; E869-R924 IonicContact OE2-CZ 2.87Å; E869-R924 IonicContact OE2-NE 3.92Å; E869-R924 PolarHBondContact OE2-NE 3.38Å; E869-R924 IonicContact OE2-NH2 3.82Å; E869-R924 PolarHBondContact OE2-NH2 3.33Å |
| 870 | H | 87.6 | Confident | 77.7 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129 | -179.9 | -64.5 | -82.6 | 0 | 0 | 0 | 110.1 | T861 V862 N868 L884 | T861-H870 WeakPolarHBondContact CA-O 3.28Å; T861-H870 WeakPolarHBondContact CB-O 3.41Å; V862-H870 HydrophobicContact CG2-CB 4.31Å; V862-H870 PolarHBondContact N-O 3.38Å; V862-H870 PolarHBondContact O-N 2.99Å; N868-H870 PolarHBondContact O-CD2 3.27Å; N868-H870 PolarHBondContact OD1-NE2 3.34Å; H870-L884 HydrophobicContact CB-CD1 4.44Å; H870-L884 HydrophobicContact CB-CD2 4.25Å; H870-L884 HydrophobicContact CB-CG 4.35Å |
| 871 | T | 86.6 | Confident | 77.4 | Confident | 55 Ų | 55 | 50.9 Ų | 50.9 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.1 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | Q859 T861 T873 | Q859-T871 HydrophobicContact CB-CG2 4.44Å; T861-T871 HydrophobicContact CG2-CG2 4.15Å; T871-T873 HydrophobicContact CG2-CG2 3.77Å |
| 872 | I | 86.6 | Confident | 77 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 114.3 | 171 | -52.1 | 168.2 | 0 | 0 | 0 | 107.2 | V850 L854 V860 V862 A874 L876 L881 L884 M903 | V850-I872 HydrophobicContact CG1-CD1 4.28Å; V850-I872 HydrophobicContact CG1-CG2 3.9Å; L854-I872 HydrophobicContact CD1-CG2 4.03Å; L854-I872 VanDerWaalsContact CD2-O 3.29Å; L854-I872 WeakPolarHBondContact CD2-O 3.05Å; V860-I872 PolarHBondContact N-O 3.02Å; V860-I872 WeakPolarHBondContact O-CB 3.49Å; V860-I872 PolarHBondContact O-N 3.32Å; V862-I872 HydrophobicContact CG1-CD1 4.17Å; I872-A874 VanDerWaalsContact CG2-O 3.27Å; I872-A874 WeakPolarHBondContact CG2-O 3.44Å; I872-L876 HydrophobicContact CG2-CD1 4.1Å; I872-L876 HydrophobicContact CG2-CG 4.28Å; I872-L881 HydrophobicContact CD1-CD1 3.53Å; I872-L884 HydrophobicContact CD1-CD2 4.18Å; I872-L884 HydrophobicContact CG1-CD2 4.11Å; I872-M903 HydrophobicContact CD1-CE 3.78Å |
| 873 | T | 75.4 | Confident | 76.7 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | trans | -109.5 | -17 | -178.1 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | T871 | T871-T873 HydrophobicContact CG2-CG2 3.77Š| ||
| 874 | A | 69 | Low | 76.8 | Confident | 38 Ų | 38 | 62 Ų | 62 | 31% | 0.314 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -136.8 | 153.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L854 I872 L876 | L854-A874 WeakPolarHBondContact CD1-O 3.43Å; I872-A874 VanDerWaalsContact CG2-O 3.27Å; I872-A874 WeakPolarHBondContact CG2-O 3.44Å; A874-L876 PolarHBondContact O-N 3.36Å |
| 875 | P | 68.2 | Low | 77.1 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | trans | -57.4 | 131.3 | 174.7 | -26.6 | 38.2 | 0 | 0 | 0 | 110.6 | T851 L854 | T851-P875 HydrophobicContact CG2-CB 4.42Å; T851-P875 HydrophobicContact CG2-CG 4.17Å; L854-P875 HydrophobicContact CD1-CB 4.49Å; L854-P875 HydrophobicContact CD1-CG 4.04Å; L854-P875 VanDerWaalsContact CD1-N 3.34Å | ||
| 876 | L | 71.3 | Confident | 77.8 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 24% | 0.236 | 35% | 0.345 | C | S | . | . | trans | -109.7 | 144.6 | 179.6 | -64.5 | 175.5 | 0 | 0 | 0 | 110.1 | I872 A874 L881 L884 | I872-L876 HydrophobicContact CG2-CD1 4.1Å; I872-L876 HydrophobicContact CG2-CG 4.28Å; A874-L876 PolarHBondContact O-N 3.36Å; L876-L881 HydrophobicContact CB-CB 4.19Å; L876-L884 HydrophobicContact CD1-CD1 4.09Å | ||
| 877 | P | 68.9 | Low | 79.2 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 43% | 0.429 | 34% | 0.34 | S | S | . | . | trans | -53 | 146.5 | 165.9 | -23.8 | 33.7 | 0 | 0 | 0 | 111.2 | V879 E880 L881 | P877-V879 PolarHBondContact O-N 3.34Å; P877-V879 VanDerWaalsContact O-N 3.14Å; P877-E880 HydrophobicContact CB-CG 4.41Å; P877-E880 HydrophobicContact CG-CG 4.43Å; P877-E880 PolarHBondContact O-N 3.45Å; P877-E880 VanDerWaalsContact O-N 3.07Å; P877-L881 PolarHBondContact O-N 3.23Å | ||
| 878 | E | 70.2 | Confident | 80.3 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.8 | -38.6 | -175.3 | -169.4 | -171 | 173.3 | 0 | 0 | 113 | R842 A847 R882 | R842-E878 IonicContact CZ-OE1 3.77Å; R842-E878 IonicContact NE-OE1 3.38Å; R842-E878 IonicContact NH1-OE1 3.23Å; A847-E878 HydrophobicContact CB-CB 4.15Å; E878-R882 WeakPolarHBondContact O-CB 3.32Å; E878-R882 PolarHBondContact O-N 3.43Å |
| 879 | V | 73.6 | Confident | 80.8 | Confident | 120 Ų | 120 | 56.1 Ų | 56.1 | 73% | 0.727 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.3 | -45.7 | 179.3 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | P877 R882 Q883 | P877-V879 PolarHBondContact O-N 3.34Å; P877-V879 VanDerWaalsContact O-N 3.14Å; V879-R882 PolarHBondContact O-N 3Å; V879-Q883 PolarHBondContact O-N 2.95Å |
| 880 | E | 80.9 | Confident | 80.7 | Confident | 113 Ų | 113 | 55.2 Ų | 55.2 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 178.6 | -67.5 | 179.8 | -161.5 | 0 | 0 | 111.1 | P877 R882 Q883 L884 | P877-E880 HydrophobicContact CB-CG 4.41Å; P877-E880 HydrophobicContact CG-CG 4.43Å; P877-E880 PolarHBondContact O-N 3.45Å; P877-E880 VanDerWaalsContact O-N 3.07Å; E880-R882 VanDerWaalsContact C-N 3.3Å; E880-R882 PolarHBondContact O-N 2.95Å; E880-Q883 PolarHBondContact O-N 2.95Å; E880-L884 VanDerWaalsContact O-CB 3.31Å; E880-L884 WeakPolarHBondContact O-CB 3.29Å; E880-L884 PolarHBondContact O-N 2.92Å |
| 881 | L | 85.1 | Confident | 80.2 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 176.6 | 179.9 | 60.3 | 0 | 0 | 0 | 111.6 | L846 A847 V850 I872 L876 P877 L884 I885 | L846-L881 HydrophobicContact CD2-CD2 4.06Å; L846-L881 HydrophobicContact CD2-CG 4.41Å; L846-L881 HydrophobicContact CG-CD2 3.81Å; A847-L881 HydrophobicContact CB-CD2 4.34Å; V850-L881 HydrophobicContact CB-CD2 4.27Å; V850-L881 HydrophobicContact CG2-CD1 4.24Å; V850-L881 HydrophobicContact CG2-CD2 3.56Å; I872-L881 HydrophobicContact CD1-CD1 3.53Å; L876-L881 HydrophobicContact CB-CB 4.19Å; P877-L881 PolarHBondContact O-N 3.23Å; L881-L884 PolarHBondContact O-N 2.9Å; L881-I885 HydrophobicContact CD1-CD1 4.29Å; L881-I885 HydrophobicContact CG-CD1 4.24Å; L881-I885 WeakPolarHBondContact O-CG1 3.41Å; L881-I885 PolarHBondContact O-N 3.46Å |
| 882 | R | 81.3 | Confident | 80.1 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 177.2 | -178.5 | -177.9 | 174.3 | 99.4 | 14.4 | 111.6 | G840 K841 E878 V879 E880 L884 I885 H886 | G840-R882 VanDerWaalsContact CA-NH2 3.3Å; G840-R882 PolarHBondContact O-NH1 3.23Å; K841-R882 PolarHBondContact O-NH1 3.29Å; E878-R882 WeakPolarHBondContact O-CB 3.32Å; E878-R882 PolarHBondContact O-N 3.43Å; V879-R882 PolarHBondContact O-N 3Å; E880-R882 VanDerWaalsContact C-N 3.3Å; E880-R882 PolarHBondContact O-N 2.95Å; R882-L884 VanDerWaalsContact C-N 3.29Å; R882-L884 PolarHBondContact O-N 3.47Å; R882-I885 PolarHBondContact O-N 3.14Å; R882-H886 PolarHBondContact O-N 2.89Å |
| 883 | Q | 84.7 | Confident | 80 | Confident | 101 Ų | 101 | 56.3 Ų | 56.3 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 177.5 | -172.6 | 62.2 | 46.4 | 0 | 0 | 110.5 | V879 E880 I885 H886 D887 | V879-Q883 PolarHBondContact O-N 2.95Å; E880-Q883 PolarHBondContact O-N 2.95Å; Q883-I885 PolarHBondContact O-N 2.95Å; Q883-H886 PolarHBondContact O-N 2.51Å; Q883-D887 PolarHBondContact NE2-OD1 3.23Å; Q883-D887 WeakPolarHBondContact O-CB 3.44Å; Q883-D887 PolarHBondContact O-N 2.85Å |
| 884 | L | 89.1 | Confident | 80.7 | Confident | 40 Ų | 40 | 52 Ų | 52 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 177.8 | -179.7 | 144.9 | 0 | 0 | 0 | 112.5 | V862 H870 I872 L876 E880 L881 R882 A888 | V862-L884 HydrophobicContact CG2-CD2 3.29Å; H870-L884 HydrophobicContact CB-CD1 4.44Å; H870-L884 HydrophobicContact CB-CD2 4.25Å; H870-L884 HydrophobicContact CB-CG 4.35Å; I872-L884 HydrophobicContact CD1-CD2 4.18Å; I872-L884 HydrophobicContact CG1-CD2 4.11Å; L876-L884 HydrophobicContact CD1-CD1 4.09Å; E880-L884 VanDerWaalsContact O-CB 3.31Å; E880-L884 WeakPolarHBondContact O-CB 3.29Å; E880-L884 PolarHBondContact O-N 2.92Å; L881-L884 PolarHBondContact O-N 2.9Å; R882-L884 VanDerWaalsContact C-N 3.29Å; R882-L884 PolarHBondContact O-N 3.47Å; L884-A888 VanDerWaalsContact O-CB 3.3Å; L884-A888 WeakPolarHBondContact O-CB 3.46Å; L884-A888 PolarHBondContact O-N 2.73Å |
| 885 | I | 88.4 | Confident | 81.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 174.5 | -68.1 | 169.4 | 0 | 0 | 0 | 110.7 | L846 V862 L881 R882 Q883 A888 Y889 A896 Q900 M903 | L846-I885 HydrophobicContact CD2-CD1 3.93Å; V862-I885 HydrophobicContact CB-CG1 4.49Å; V862-I885 HydrophobicContact CG1-CG1 4.24Å; V862-I885 HydrophobicContact CG2-CG1 4.31Å; L881-I885 HydrophobicContact CD1-CD1 4.29Å; L881-I885 HydrophobicContact CG-CD1 4.24Å; L881-I885 WeakPolarHBondContact O-CG1 3.41Å; L881-I885 PolarHBondContact O-N 3.46Å; R882-I885 PolarHBondContact O-N 3.14Å; Q883-I885 PolarHBondContact O-N 2.95Å; I885-A888 PolarHBondContact O-N 3.46Å; I885-Y889 HydrophobicContact CG2-CD2 4.16Å; I885-Y889 HydrophobicContact CG2-CE2 4.48Å; I885-Y889 WeakPolarHBondContact O-CD2 3.44Å; I885-Y889 PolarHBondContact O-N 3.15Å; I885-A896 HydrophobicContact CG2-CB 4.02Å; I885-Q900 HydrophobicContact CD1-CG 3.82Å; I885-Q900 HydrophobicContact CG2-CG 4.49Å; I885-M903 HydrophobicContact CD1-SD 4.25Å |
| 886 | H | 85.5 | Confident | 82.6 | Confident | 77 Ų | 77 | 48.6 Ų | 48.6 | 36% | 0.356 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 177.5 | -178.1 | 72 | 0 | 0 | 0 | 111.2 | R882 Q883 A888 Y889 G890 E893 | R882-H886 PolarHBondContact O-N 2.89Å; Q883-H886 PolarHBondContact O-N 2.51Å; H886-A888 VanDerWaalsContact C-N 3.27Å; H886-A888 PolarHBondContact O-N 3.23Å; H886-Y889 PolarHBondContact O-N 3.25Å; H886-G890 WeakPolarHBondContact O-CA 3.18Å; H886-G890 PolarHBondContact O-N 3.35Å; H886-E893 IonicContact CE1-OE1 3.52Å; H886-E893 PolarHBondContact CE1-OE1 3.47Å; H886-E893 VanDerWaalsContact CE1-OE1 3.3Å; H886-E893 IonicContact ND1-OE1 3.36Å; H886-E893 PolarHBondContact ND1-OE1 2.82Å; H886-E893 VanDerWaalsContact ND1-OE1 3.13Å |
| 887 | D | 86.5 | Confident | 83.5 | Confident | 86 Ų | 86 | 46.6 Ų | 46.6 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -31 | 177.2 | -65 | -16.5 | 0 | 0 | 0 | 112.6 | N868 Q883 | N868-D887 PolarHBondContact ND2-O 3.18Å; Q883-D887 PolarHBondContact NE2-OD1 3.23Å; Q883-D887 WeakPolarHBondContact O-CB 3.44Å; Q883-D887 PolarHBondContact O-N 2.85Å |
| 888 | A | 87 | Confident | 84.6 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.3 | -31.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | V862 N868 L884 I885 H886 | V862-A888 HydrophobicContact CG2-CB 4.04Å; N868-A888 VanDerWaalsContact ND2-C 3.27Å; N868-A888 WeakPolarHBondContact ND2-CA 3.38Å; N868-A888 PolarHBondContact ND2-O 3.49Å; L884-A888 VanDerWaalsContact O-CB 3.3Å; L884-A888 WeakPolarHBondContact O-CB 3.46Å; L884-A888 PolarHBondContact O-N 2.73Å; I885-A888 PolarHBondContact O-N 3.46Å; H886-A888 VanDerWaalsContact C-N 3.27Å; H886-A888 PolarHBondContact O-N 3.23Å |
| 889 | Y | 85.6 | Confident | 85.6 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -111.1 | -12.3 | -175 | -71.6 | -80 | 0 | 0 | 0 | 114.2 | V862 G863 M864 I885 H886 D891 D892 T895 A896 T899 | V862-Y889 HydrophobicContact CB-CE2 4.43Å; G863-Y889 PolarHBondContact N-OH 3.08Å; G863-Y889 VanDerWaalsContact N-OH 3.1Å; G863-Y889 PolarHBondContact O-OH 3.45Å; M864-Y889 HydrophobicContact CG-CD1 4.28Å; M864-Y889 HydrophobicContact CG-CE1 3.66Å; M864-Y889 HydrophobicContact SD-CE1 3.91Å; I885-Y889 HydrophobicContact CG2-CD2 4.16Å; I885-Y889 HydrophobicContact CG2-CE2 4.48Å; I885-Y889 WeakPolarHBondContact O-CD2 3.44Å; I885-Y889 PolarHBondContact O-N 3.15Å; H886-Y889 PolarHBondContact O-N 3.25Å; Y889-D891 PolarHBondContact O-N 3.4Å; Y889-D892 PolarHBondContact O-N 3.47Å; Y889-T895 HydrophobicContact CD1-CG2 3.85Å; Y889-T895 HydrophobicContact CE1-CG2 3.43Å; Y889-T895 VanDerWaalsContact CE1-CG2 3.43Å; Y889-A896 HydrophobicContact CD2-CB 4.17Å; Y889-A896 HydrophobicContact CG-CB 4.26Å; Y889-T899 HydrophobicContact CE2-CG2 4.02Å; Y889-T899 VanDerWaalsContact CZ-OG1 3.24Å; Y889-T899 PolarHBondContact OH-OG1 3.49Å |
| 890 | G | 82.4 | Confident | 86.5 | Confident | 32 Ų | 32 | 34.8 Ų | 34.8 | 33% | 0.33 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -123.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H886 D892 | H886-G890 WeakPolarHBondContact O-CA 3.18Å; H886-G890 PolarHBondContact O-N 3.35Å; G890-D892 PolarHBondContact O-N 3Å |
| 891 | D | 77.9 | Confident | 87 | Confident | 114 Ų | 114 | 29.4 Ų | 29.4 | 61% | 0.61 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -2.8 | -178.4 | -57.4 | -34.8 | 0 | 0 | 0 | 113.7 | T676 Y889 E893 | T676-D891 HydrophobicContact CG2-CB 4.18Å; Y889-D891 PolarHBondContact O-N 3.4Å; D891-E893 VanDerWaalsContact C-N 3.31Å; D891-E893 PolarHBondContact O-N 2.93Å |
| 892 | D | 84.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | trans | -82.8 | 70.2 | 179.3 | -164.7 | -8.6 | 0 | 0 | 0 | 113.1 | T676 R677 S678 Y889 G890 S894 T895 A896 | T676-D892 WeakPolarHBondContact O-CB 3.38Å; T676-D892 VanDerWaalsContact O-CG 3.26Å; R677-D892 WeakPolarHBondContact CA-OD2 3.16Å; S678-D892 VanDerWaalsContact CB-OD2 3.28Å; S678-D892 WeakPolarHBondContact CB-OD2 3.39Å; S678-D892 PolarHBondContact N-OD2 2.95Å; S678-D892 WeakPolarHBondContact OG-CB 3.38Å; S678-D892 PolarHBondContact OG-OD2 3.03Å; Y889-D892 PolarHBondContact O-N 3.47Å; G890-D892 PolarHBondContact O-N 3Å; D892-S894 PolarHBondContact O-N 3.28Å; D892-S894 VanDerWaalsContact O-N 3.16Å; D892-S894 PolarHBondContact OD1-N 2.92Å; D892-T895 PolarHBondContact O-N 3.02Å; D892-T895 PolarHBondContact OD1-N 2.81Å; D892-T895 PolarHBondContact OD1-OG1 2.96Å; D892-T895 WeakPolarHBondContact OD2-CB 3.3Å; D892-T895 PolarHBondContact OD2-OG1 3.22Å; D892-A896 WeakPolarHBondContact O-CB 3.31Å; D892-A896 PolarHBondContact O-N 3.25Å | ||
| 893 | E | 85.2 | Confident | 87.9 | Confident | 33 Ų | 33 | 25 Ų | 25 | 15% | 0.154 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -25.7 | 177.7 | -68.9 | -61.5 | 154.7 | 0 | 0 | 113.1 | M838 H886 D891 M897 | M838-E893 HydrophobicContact CG-CG 4.44Å; H886-E893 IonicContact CE1-OE1 3.52Å; H886-E893 PolarHBondContact CE1-OE1 3.47Å; H886-E893 VanDerWaalsContact CE1-OE1 3.3Å; H886-E893 IonicContact ND1-OE1 3.36Å; H886-E893 PolarHBondContact ND1-OE1 2.82Å; H886-E893 VanDerWaalsContact ND1-OE1 3.13Å; D891-E893 VanDerWaalsContact C-N 3.31Å; D891-E893 PolarHBondContact O-N 2.93Å; E893-M897 WeakPolarHBondContact O-CB 3.5Å; E893-M897 PolarHBondContact O-N 2.89Å; E893-M897 VanDerWaalsContact O-N 3.15Å |
| 894 | S | 89.2 | Confident | 88.1 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -73.2 | -49 | -179 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | H834 D892 M897 L898 | H834-S894 WeakPolarHBondContact CB-OG 3.42Å; H834-S894 PolarHBondContact ND1-OG 3.3Å; D892-S894 PolarHBondContact O-N 3.28Å; D892-S894 VanDerWaalsContact O-N 3.16Å; D892-S894 PolarHBondContact OD1-N 2.92Å; S894-M897 PolarHBondContact O-N 3.31Å; S894-L898 PolarHBondContact O-N 2.74Å |
| 895 | T | 88.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.9 | -34.8 | 178.6 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | I679 M864 Y889 D892 M897 L898 T899 I929 | I679-T895 HydrophobicContact CD1-CG2 4.33Å; I679-T895 HydrophobicContact CG1-CG2 4.12Å; M864-T895 HydrophobicContact SD-CG2 4.38Å; Y889-T895 HydrophobicContact CD1-CG2 3.85Å; Y889-T895 HydrophobicContact CE1-CG2 3.43Å; Y889-T895 VanDerWaalsContact CE1-CG2 3.43Å; D892-T895 PolarHBondContact O-N 3.02Å; D892-T895 PolarHBondContact OD1-N 2.81Å; D892-T895 PolarHBondContact OD1-OG1 2.96Å; D892-T895 WeakPolarHBondContact OD2-CB 3.3Å; D892-T895 PolarHBondContact OD2-OG1 3.22Å; T895-M897 VanDerWaalsContact C-N 3.28Å; T895-M897 PolarHBondContact O-N 2.9Å; T895-L898 PolarHBondContact O-N 3.27Å; T895-T899 WeakPolarHBondContact O-CB 3.49Å; T895-T899 PolarHBondContact O-N 3.39Å; T895-T899 PolarHBondContact O-OG1 3.47Å; T895-I929 HydrophobicContact CG2-CD1 4.18Å |
| 896 | A | 89.4 | Confident | 88.4 | Confident | 4 Ų | 4 | 19.3 Ų | 19.3 | 3% | 0.033 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.2 | -44.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | I885 Y889 D892 T899 Q900 | I885-A896 HydrophobicContact CG2-CB 4.02Å; Y889-A896 HydrophobicContact CD2-CB 4.17Å; Y889-A896 HydrophobicContact CG-CB 4.26Å; D892-A896 WeakPolarHBondContact O-CB 3.31Å; D892-A896 PolarHBondContact O-N 3.25Å; A896-T899 PolarHBondContact O-N 3.47Å; A896-Q900 WeakPolarHBondContact O-CG 3.45Å; A896-Q900 PolarHBondContact O-N 3.33Å |
| 897 | M | 89.9 | Confident | 88.5 | Confident | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.7 | -40.4 | 177.3 | -166.6 | 60.2 | 67.6 | 0 | 0 | 112.4 | Y531 R833 A836 G837 V843 E893 S894 T895 T899 Q900 E901 | Y531-M897 HydrophobicContact CE1-CG 3.78Å; Y531-M897 HydrophobicContact CE1-SD 3.54Å; Y531-M897 VanDerWaalsContact CE1-SD 3.54Å; Y531-M897 WeakPolarHBondContact OH-CG 3.37Å; R833-M897 HydrophobicContact CB-CB 4.4Å; R833-M897 HydrophobicContact CB-CG 4.44Å; R833-M897 HydrophobicContact CG-CG 4.49Å; A836-M897 HydrophobicContact CB-CE 4.33Å; G837-M897 VanDerWaalsContact CA-CE 3.49Å; V843-M897 HydrophobicContact CG2-SD 3.68Å; E893-M897 WeakPolarHBondContact O-CB 3.5Å; E893-M897 PolarHBondContact O-N 2.89Å; E893-M897 VanDerWaalsContact O-N 3.15Å; S894-M897 PolarHBondContact O-N 3.31Å; T895-M897 VanDerWaalsContact C-N 3.28Å; T895-M897 PolarHBondContact O-N 2.9Å; M897-T899 VanDerWaalsContact C-N 3.32Å; M897-T899 PolarHBondContact O-N 3.03Å; M897-Q900 WeakPolarHBondContact O-CB 3.42Å; M897-Q900 PolarHBondContact O-N 3.07Å; M897-E901 PolarHBondContact O-N 3.14Å |
| 898 | L | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 173.8 | 177.7 | 59.8 | 0 | 0 | 0 | 112 | S894 T895 Q900 E901 L902 I929 L951 L952 M959 | S894-L898 PolarHBondContact O-N 2.74Å; T895-L898 PolarHBondContact O-N 3.27Å; L898-Q900 VanDerWaalsContact C-N 3.31Å; L898-Q900 PolarHBondContact O-N 3.45Å; L898-E901 WeakPolarHBondContact O-CB 3.46Å; L898-E901 PolarHBondContact O-N 3.32Å; L898-L902 HydrophobicContact CD1-CD1 4.44Å; L898-L902 HydrophobicContact CD1-CG 4.16Å; L898-L902 HydrophobicContact CG-CD1 4.26Å; L898-L902 HydrophobicContact CG-CG 4.39Å; L898-L902 WeakPolarHBondContact O-CG 3.27Å; L898-L902 PolarHBondContact O-N 2.82Å; L898-I929 HydrophobicContact CD2-CD1 4.36Å; L898-I929 HydrophobicContact CD2-CG1 4.34Å; L898-I929 HydrophobicContact CD2-CG2 4.34Å; L898-I929 HydrophobicContact CG-CD1 4.43Å; L898-L951 HydrophobicContact CD2-CD2 4.34Å; L898-L951 HydrophobicContact CD2-CG 4.45Å; L898-L952 HydrophobicContact CD2-CD2 4.09Å; L898-M959 HydrophobicContact CD1-CE 3.37Å; L898-M959 HydrophobicContact CD1-CG 3.95Å; L898-M959 HydrophobicContact CD1-SD 3.7Å; L898-M959 HydrophobicContact CD2-CE 4.29Å; L898-M959 HydrophobicContact CG-CE 4.49Å |
| 899 | T | 91.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 176.1 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | V862 Y889 T895 A896 M897 L902 M903 V925 I929 | V862-T899 HydrophobicContact CB-CG2 4.16Å; V862-T899 HydrophobicContact CG1-CG2 3.8Å; Y889-T899 HydrophobicContact CE2-CG2 4.02Å; Y889-T899 VanDerWaalsContact CZ-OG1 3.24Å; Y889-T899 PolarHBondContact OH-OG1 3.49Å; T895-T899 WeakPolarHBondContact O-CB 3.49Å; T895-T899 PolarHBondContact O-N 3.39Å; T895-T899 PolarHBondContact O-OG1 3.47Å; A896-T899 PolarHBondContact O-N 3.47Å; M897-T899 VanDerWaalsContact C-N 3.32Å; M897-T899 PolarHBondContact O-N 3.03Å; T899-L902 PolarHBondContact O-N 3.2Å; T899-M903 HydrophobicContact CG2-CG 4.47Å; T899-M903 HydrophobicContact CG2-SD 4.05Å; T899-M903 WeakPolarHBondContact O-CG 3.5Å; T899-M903 PolarHBondContact O-N 3.47Å; T899-V925 HydrophobicContact CG2-CB 4.38Å; T899-V925 HydrophobicContact CG2-CG1 3.96Å; T899-I929 WeakPolarHBondContact OG1-CD1 3.45Å |
| 900 | Q | 91.3 | Very high | 88.3 | Confident | 14 Ų | 14 | 12.5 Ų | 12.5 | 7% | 0.065 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 174.3 | -65.4 | 177.1 | 42.5 | 0 | 0 | 111.9 | V843 L846 I885 A896 M897 L898 L902 M903 V904 | V843-Q900 HydrophobicContact CB-CB 4.09Å; V843-Q900 HydrophobicContact CG2-CB 3.61Å; L846-Q900 HydrophobicContact CD1-CB 4.06Å; L846-Q900 HydrophobicContact CD1-CG 4.25Å; L846-Q900 HydrophobicContact CD2-CB 4.26Å; L846-Q900 HydrophobicContact CD2-CG 3.69Å; I885-Q900 HydrophobicContact CD1-CG 3.82Å; I885-Q900 HydrophobicContact CG2-CG 4.49Å; A896-Q900 WeakPolarHBondContact O-CG 3.45Å; A896-Q900 PolarHBondContact O-N 3.33Å; M897-Q900 WeakPolarHBondContact O-CB 3.42Å; M897-Q900 PolarHBondContact O-N 3.07Å; L898-Q900 VanDerWaalsContact C-N 3.31Å; L898-Q900 PolarHBondContact O-N 3.45Å; Q900-L902 PolarHBondContact O-N 3.19Å; Q900-M903 PolarHBondContact O-N 3.08Å; Q900-V904 WeakPolarHBondContact O-CG2 3.37Å; Q900-V904 PolarHBondContact O-N 3.08Å |
| 901 | E | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.9 | -50.3 | 174.4 | -73.2 | -175.2 | -141.3 | 0 | 0 | 111.9 | Y531 T532 R833 V843 M897 L898 M903 V904 Y905 | Y531-E901 WeakPolarHBondContact OH-CG 3.08Å; Y531-E901 PolarHBondContact OH-OE1 3.47Å; T532-E901 HydrophobicContact CG2-CG 4.14Å; R833-E901 IonicContact CZ-OE1 3.33Å; R833-E901 IonicContact CZ-OE2 3.96Å; R833-E901 IonicContact NE-OE1 2.88Å; R833-E901 PolarHBondContact NE-OE1 2.94Å; R833-E901 IonicContact NE-OE2 3.45Å; R833-E901 IonicContact NH2-OE1 3.71Å; R833-E901 PolarHBondContact NH2-OE1 3.04Å; R833-E901 IonicContact NH2-OE2 2.97Å; R833-E901 PolarHBondContact NH2-OE2 3.2Å; V843-E901 HydrophobicContact CG2-CG 4.33Å; M897-E901 PolarHBondContact O-N 3.14Å; L898-E901 WeakPolarHBondContact O-CB 3.46Å; L898-E901 PolarHBondContact O-N 3.32Å; E901-M903 VanDerWaalsContact C-N 3.35Å; E901-M903 PolarHBondContact O-N 3.21Å; E901-V904 PolarHBondContact O-N 2.9Å; E901-Y905 HydrophobicContact CB-CE2 3.81Å; E901-Y905 WeakPolarHBondContact O-CD2 3.3Å; E901-Y905 VanDerWaalsContact O-CG 3.25Å; E901-Y905 PolarHBondContact O-N 3.36Å; E901-Y905 PolarHBondContact OE2-OH 3.03Å |
| 902 | L | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | -177.3 | -67.6 | -178.7 | 0 | 0 | 0 | 112 | L898 T899 Q900 V904 Y905 L906 V925 I929 M932 M959 L963 | L898-L902 HydrophobicContact CD1-CD1 4.44Å; L898-L902 HydrophobicContact CD1-CG 4.16Å; L898-L902 HydrophobicContact CG-CD1 4.26Å; L898-L902 HydrophobicContact CG-CG 4.39Å; L898-L902 WeakPolarHBondContact O-CG 3.27Å; L898-L902 PolarHBondContact O-N 2.82Å; T899-L902 PolarHBondContact O-N 3.2Å; Q900-L902 PolarHBondContact O-N 3.19Å; L902-V904 VanDerWaalsContact C-N 3.31Å; L902-V904 PolarHBondContact O-N 3.03Å; L902-Y905 HydrophobicContact CD2-CD2 4.21Å; L902-Y905 PolarHBondContact O-N 2.89Å; L902-L906 WeakPolarHBondContact O-CB 3.47Å; L902-L906 WeakPolarHBondContact O-CG 3.1Å; L902-L906 PolarHBondContact O-N 3.26Å; L902-V925 HydrophobicContact CB-CG1 3.95Å; L902-V925 HydrophobicContact CD1-CG1 4.06Å; L902-I929 HydrophobicContact CD1-CD1 3.9Å; L902-I929 HydrophobicContact CD1-CG1 3.3Å; L902-M932 HydrophobicContact CD1-SD 4.29Å; L902-M932 HydrophobicContact CD2-CE 4.14Å; L902-M932 HydrophobicContact CD2-SD 4.21Å; L902-M959 HydrophobicContact CD2-CG 3.98Å; L902-M959 HydrophobicContact CD2-SD 4.09Å; L902-L963 HydrophobicContact CD2-CB 4.45Å; L902-L963 HydrophobicContact CD2-CD1 4.5Å; L902-L963 HydrophobicContact CD2-CD2 3.98Å |
| 903 | M | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 174.8 | -70.3 | 171.9 | 97.8 | 0 | 0 | 111.5 | L846 V850 V860 V862 I872 I885 T899 Q900 E901 L906 A907 V925 | L846-M903 HydrophobicContact CD1-CB 4.09Å; L846-M903 HydrophobicContact CD1-SD 4.16Å; V850-M903 HydrophobicContact CB-CE 4.48Å; V850-M903 HydrophobicContact CG1-CE 4.47Å; V850-M903 HydrophobicContact CG2-CE 3.31Å; V850-M903 HydrophobicContact CG2-SD 4.38Å; V860-M903 HydrophobicContact CB-CE 4.39Å; V860-M903 HydrophobicContact CG1-CE 3.62Å; V860-M903 HydrophobicContact CG1-CG 4.36Å; V862-M903 HydrophobicContact CG1-CE 3.78Å; V862-M903 HydrophobicContact CG1-SD 3.81Å; I872-M903 HydrophobicContact CD1-CE 3.78Å; I885-M903 HydrophobicContact CD1-SD 4.25Å; T899-M903 HydrophobicContact CG2-CG 4.47Å; T899-M903 HydrophobicContact CG2-SD 4.05Å; T899-M903 WeakPolarHBondContact O-CG 3.5Å; T899-M903 PolarHBondContact O-N 3.47Å; Q900-M903 PolarHBondContact O-N 3.08Å; E901-M903 VanDerWaalsContact C-N 3.35Å; E901-M903 PolarHBondContact O-N 3.21Å; M903-L906 PolarHBondContact O-N 3.47Å; M903-A907 WeakPolarHBondContact O-CB 3.36Å; M903-A907 PolarHBondContact O-N 3.5Å; M903-V925 HydrophobicContact CG-CG2 4.06Å |
| 904 | V | 89.6 | Confident | 87.4 | Confident | 19 Ų | 19 | 17.6 Ų | 17.6 | 12% | 0.115 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.9 | -43.9 | 176 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | V843 E844 L846 A849 Q900 E901 L902 L906 A907 M908 | V843-V904 HydrophobicContact CG1-CB 4.25Å; V843-V904 HydrophobicContact CG1-CG2 3.75Å; E844-V904 VanDerWaalsContact O-CG2 3.31Å; E844-V904 WeakPolarHBondContact O-CG2 3.45Å; L846-V904 HydrophobicContact CD1-CG2 4.28Å; A849-V904 HydrophobicContact CB-CB 4.4Å; A849-V904 HydrophobicContact CB-CG2 3.88Å; Q900-V904 WeakPolarHBondContact O-CG2 3.37Å; Q900-V904 PolarHBondContact O-N 3.08Å; E901-V904 PolarHBondContact O-N 2.9Å; L902-V904 VanDerWaalsContact C-N 3.31Å; L902-V904 PolarHBondContact O-N 3.03Å; V904-L906 PolarHBondContact O-N 3.03Å; V904-A907 CarbonylContact O-C 3.55Å; V904-A907 WeakPolarHBondContact O-CB 3.1Å; V904-A907 PolarHBondContact O-N 3.2Å; V904-M908 HydrophobicContact CG1-SD 4.35Å; V904-M908 VanDerWaalsContact O-CG 3.28Å; V904-M908 WeakPolarHBondContact O-CG 3.42Å; V904-M908 PolarHBondContact O-N 3.34Å |
| 905 | Y | 91.4 | Very high | 87 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.9 | -56.4 | -26.5 | 0 | 0 | 0 | 112.6 | L538 E901 L902 A907 M908 F909 P956 M959 K960 L963 | L538-Y905 HydrophobicContact CD2-CE1 4.31Å; E901-Y905 HydrophobicContact CB-CE2 3.81Å; E901-Y905 WeakPolarHBondContact O-CD2 3.3Å; E901-Y905 VanDerWaalsContact O-CG 3.25Å; E901-Y905 PolarHBondContact O-N 3.36Å; E901-Y905 PolarHBondContact OE2-OH 3.03Å; L902-Y905 HydrophobicContact CD2-CD2 4.21Å; L902-Y905 PolarHBondContact O-N 2.89Å; Y905-A907 VanDerWaalsContact C-N 3.32Å; Y905-A907 PolarHBondContact O-N 2.69Å; Y905-M908 HydrophobicContact CD1-SD 4Å; Y905-M908 WeakPolarHBondContact O-CB 3.48Å; Y905-M908 PolarHBondContact O-N 2.83Å; Y905-F909 WeakPolarHBondContact O-CD2 3.42Å; Y905-F909 WeakPolarHBondContact O-CG 3.42Å; Y905-F909 PolarHBondContact O-N 3.38Å; Y905-P956 WeakPolarHBondContact OH-CB 3.2Å; Y905-P956 PolarHBondContact OH-O 2.99Å; Y905-M959 HydrophobicContact CE2-CB 4.27Å; Y905-M959 HydrophobicContact CE2-CG 3.99Å; Y905-K960 HydrophobicContact CD1-CB 4.34Å; Y905-K960 HydrophobicContact CD1-CD 4.43Å; Y905-K960 HydrophobicContact CD1-CG 4.36Å; Y905-K960 HydrophobicContact CD2-CB 4.01Å; Y905-K960 HydrophobicContact CE1-CB 4.45Å; Y905-K960 HydrophobicContact CE2-CB 4.15Å; Y905-K960 HydrophobicContact CG-CB 4.14Å; Y905-K960 HydrophobicContact CG-CG 4.26Å; Y905-L963 HydrophobicContact CD2-CD2 4.48Å |
| 906 | L | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | 172.8 | -71.5 | 167 | 0 | 0 | 0 | 110.5 | L853 L902 M903 V904 M908 F909 I910 F917 L923 V925 I928 L963 L967 | L853-L906 HydrophobicContact CD1-CB 4.07Å; L853-L906 HydrophobicContact CD2-CB 4.04Å; L902-L906 WeakPolarHBondContact O-CB 3.47Å; L902-L906 WeakPolarHBondContact O-CG 3.1Å; L902-L906 PolarHBondContact O-N 3.26Å; M903-L906 PolarHBondContact O-N 3.47Å; V904-L906 PolarHBondContact O-N 3.03Å; L906-M908 VanDerWaalsContact C-N 3.32Å; L906-M908 PolarHBondContact O-N 3.18Å; L906-F909 PolarHBondContact O-N 3.45Å; L906-I910 PolarHBondContact O-N 3.06Å; L906-F917 HydrophobicContact CD2-CE1 3.79Å; L906-F917 HydrophobicContact CD2-CZ 4.03Å; L906-F917 WeakPolarHBondContact O-CZ 3.48Å; L906-L923 HydrophobicContact CD1-CD1 4.35Å; L906-V925 HydrophobicContact CD1-CG2 4.07Å; L906-I928 HydrophobicContact CD1-CD1 4.32Å; L906-I928 HydrophobicContact CD2-CD1 4.46Å; L906-L963 HydrophobicContact CD2-CD1 4.32Å; L906-L963 HydrophobicContact CD2-CD2 4.16Å; L906-L963 HydrophobicContact CG-CD2 4.11Å; L906-L967 HydrophobicContact CD2-CD1 3.77Å; L906-L967 HydrophobicContact CD2-CD2 4.3Å |
| 907 | A | 87.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.7 | -33.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A849 D852 L853 M903 V904 Y905 I910 R911 | A849-A907 HydrophobicContact CB-CB 3.47Å; A849-A907 VanDerWaalsContact CB-CB 3.47Å; A849-A907 WeakPolarHBondContact O-CB 3.21Å; D852-A907 HydrophobicContact CB-CB 4.18Å; L853-A907 HydrophobicContact CD1-CB 4.43Å; L853-A907 HydrophobicContact CD2-CB 4.5Å; L853-A907 HydrophobicContact CG-CB 4.13Å; M903-A907 WeakPolarHBondContact O-CB 3.36Å; M903-A907 PolarHBondContact O-N 3.5Å; V904-A907 CarbonylContact O-C 3.55Å; V904-A907 WeakPolarHBondContact O-CB 3.1Å; V904-A907 PolarHBondContact O-N 3.2Å; Y905-A907 VanDerWaalsContact C-N 3.32Å; Y905-A907 PolarHBondContact O-N 2.69Å; A907-I910 WeakPolarHBondContact O-CG2 3.44Å; A907-R911 VanDerWaalsContact O-CG 3.29Å; A907-R911 WeakPolarHBondContact O-CG 3.39Å; A907-R911 PolarHBondContact O-N 3.43Å; A907-R911 PolarHBondContact O-NE 3.24Å |
| 908 | M | 84.5 | Confident | 86.3 | Confident | 16 Ų | 16 | 27.8 Ų | 27.8 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -50.5 | 170.7 | -68.6 | 171.4 | 73.9 | 0 | 0 | 110.9 | N542 V904 Y905 L906 I910 R911 T912 | N542-M908 WeakPolarHBondContact OD1-CE 3.37Å; V904-M908 HydrophobicContact CG1-SD 4.35Å; V904-M908 VanDerWaalsContact O-CG 3.28Å; V904-M908 WeakPolarHBondContact O-CG 3.42Å; V904-M908 PolarHBondContact O-N 3.34Å; Y905-M908 HydrophobicContact CD1-SD 4Å; Y905-M908 WeakPolarHBondContact O-CB 3.48Å; Y905-M908 PolarHBondContact O-N 2.83Å; L906-M908 VanDerWaalsContact C-N 3.32Å; L906-M908 PolarHBondContact O-N 3.18Å; M908-I910 PolarHBondContact O-N 2.85Å; M908-R911 PolarHBondContact O-N 2.65Å; M908-T912 PolarHBondContact O-N 3.35Å; M908-T912 VanDerWaalsContact O-N 3.08Å; M908-T912 PolarHBondContact O-OG1 3.15Å |
| 909 | F | 87.6 | Confident | 85.6 | Confident | 15 Ų | 15 | 30.3 Ų | 30.3 | 7% | 0.066 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | -177.4 | -67.2 | -44.4 | 0 | 0 | 0 | 113 | Y905 L906 R911 T912 E913 L916 F917 K960 L963 Y964 L967 | Y905-F909 WeakPolarHBondContact O-CD2 3.42Å; Y905-F909 WeakPolarHBondContact O-CG 3.42Å; Y905-F909 PolarHBondContact O-N 3.38Å; L906-F909 PolarHBondContact O-N 3.45Å; F909-R911 PolarHBondContact O-N 3.02Å; F909-T912 PolarHBondContact O-N 3.3Å; F909-E913 CarbonylContact O-C 3.52Å; F909-E913 VanDerWaalsContact O-CA 3.3Å; F909-E913 WeakPolarHBondContact O-CA 3.49Å; F909-E913 PolarHBondContact O-N 3.23Å; F909-L916 HydrophobicContact CB-CD1 4.27Å; F909-F917 HydrophobicContact CB-CE2 3.65Å; F909-F917 HydrophobicContact CB-CZ 3.85Å; F909-K960 HydrophobicContact CE1-CG 4.37Å; F909-K960 HydrophobicContact CE2-CG 4.34Å; F909-K960 HydrophobicContact CZ-CG 3.63Å; F909-K960 WeakPolarHBondContact CZ-O 3.42Å; F909-L963 HydrophobicContact CD2-CD2 4.2Å; F909-L963 HydrophobicContact CD2-CG 4.47Å; F909-L963 HydrophobicContact CE2-CB 4.29Å; F909-L963 HydrophobicContact CE2-CD2 3.91Å; F909-L963 HydrophobicContact CE2-CG 4.04Å; F909-Y964 HydrophobicContact CD1-CD2 4.19Å; F909-Y964 AromaticContact CE1-CD2 3.83Å; F909-Y964 HydrophobicContact CE1-CD2 3.83Å; F909-Y964 HydrophobicContact CE1-CG 4.45Å; F909-Y964 HydrophobicContact CZ-CD2 4.18Å; F909-Y964 HydrophobicContact CZ-CG 4.42Å; F909-L967 HydrophobicContact CD2-CD1 3.94Å |
| 910 | I | 83.7 | Confident | 85.3 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.7 | -26.6 | 179.3 | -156.1 | 171.2 | 0 | 0 | 0 | 112.1 | L853 R856 K858 L906 A907 M908 P914 F917 | L853-I910 HydrophobicContact CD2-CB 4.25Å; L853-I910 HydrophobicContact CD2-CD1 4.12Å; L853-I910 HydrophobicContact CD2-CG2 3.89Å; R856-I910 HydrophobicContact CB-CD1 3.63Å; R856-I910 HydrophobicContact CB-CG1 4.34Å; R856-I910 HydrophobicContact CG-CD1 4.37Å; K858-I910 HydrophobicContact CB-CD1 4.46Å; K858-I910 HydrophobicContact CD-CD1 4.36Å; K858-I910 HydrophobicContact CG-CD1 3.4Å; K858-I910 VanDerWaalsContact CG-CD1 3.4Å; L906-I910 PolarHBondContact O-N 3.06Å; A907-I910 WeakPolarHBondContact O-CG2 3.44Å; M908-I910 PolarHBondContact O-N 2.85Å; I910-P914 WeakPolarHBondContact O-CB 3.44Å; I910-F917 VanDerWaalsContact CA-CE2 3.5Å; I910-F917 HydrophobicContact CB-CD2 3.87Å; I910-F917 HydrophobicContact CB-CE1 4.5Å; I910-F917 HydrophobicContact CB-CE2 3.75Å; I910-F917 HydrophobicContact CB-CG 4.33Å; I910-F917 HydrophobicContact CB-CZ 4.07Å; I910-F917 HydrophobicContact CD1-CB 4.34Å; I910-F917 HydrophobicContact CD1-CD1 4.29Å; I910-F917 HydrophobicContact CD1-CD2 4.45Å; I910-F917 HydrophobicContact CD1-CG 4.11Å; I910-F917 HydrophobicContact CG1-CB 4.31Å; I910-F917 HydrophobicContact CG1-CD1 4.44Å; I910-F917 HydrophobicContact CG1-CD2 3.77Å; I910-F917 HydrophobicContact CG1-CE2 4.19Å; I910-F917 HydrophobicContact CG1-CG 3.92Å; I910-F917 VanDerWaalsContact N-CE2 3.3Å |
| 911 | R | 74.6 | Confident | 85 | Confident | 92 Ų | 92 | 30.4 Ų | 30.4 | 35% | 0.347 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -77.5 | -41.9 | 175.1 | -71.8 | -175.5 | -59.7 | 163.8 | 4.1 | 112.1 | D852 A907 M908 F909 | D852-R911 WeakPolarHBondContact OD2-CD 3.49Å; D852-R911 IonicContact OD2-NE 4Å; A907-R911 VanDerWaalsContact O-CG 3.29Å; A907-R911 WeakPolarHBondContact O-CG 3.39Å; A907-R911 PolarHBondContact O-N 3.43Å; A907-R911 PolarHBondContact O-NE 3.24Å; M908-R911 PolarHBondContact O-N 2.65Å; F909-R911 PolarHBondContact O-N 3.02Å |
| 912 | T | 74.8 | Confident | 84.8 | Confident | 78 Ų | 78 | 32 Ų | 32 | 48% | 0.479 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -89.4 | -34.3 | -174.7 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | T545 M908 F909 | T545-T912 HydrophobicContact CG2-CG2 4.29Å; M908-T912 PolarHBondContact O-N 3.35Å; M908-T912 VanDerWaalsContact O-N 3.08Å; M908-T912 PolarHBondContact O-OG1 3.15Å; F909-T912 PolarHBondContact O-N 3.3Å |
| 913 | E | 80.9 | Confident | 84.6 | Confident | 55 Ų | 55 | 32 Ų | 32 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | trans | -139.3 | 63.4 | -173.9 | -68.8 | -167 | -130.9 | 0 | 0 | 111.5 | F909 Q915 L916 Y964 | F909-E913 CarbonylContact O-C 3.52Å; F909-E913 VanDerWaalsContact O-CA 3.3Å; F909-E913 WeakPolarHBondContact O-CA 3.49Å; F909-E913 PolarHBondContact O-N 3.23Å; E913-Q915 VanDerWaalsContact CB-NE2 3.28Å; E913-Q915 PolarHBondContact O-N 2.93Å; E913-Q915 PolarHBondContact OE2-NE2 2.59Å; E913-L916 HydrophobicContact CB-CD1 3.77Å; E913-L916 HydrophobicContact CB-CG 4.04Å; E913-L916 WeakPolarHBondContact O-CB 3.39Å; E913-L916 WeakPolarHBondContact O-CG 3.5Å; E913-L916 PolarHBondContact O-N 3.29Å; E913-Y964 WeakPolarHBondContact OE1-CE2 3.46Å; E913-Y964 PolarHBondContact OE2-OH 3.06Å | ||
| 914 | P | 79.5 | Confident | 84.4 | Confident | 63 Ų | 63 | 33 Ų | 33 | 41% | 0.409 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -57.6 | -21.1 | -178.4 | 23.5 | -34.1 | 0 | 0 | 0 | 113.8 | I910 L916 F917 H918 | I910-P914 WeakPolarHBondContact O-CB 3.44Å; P914-L916 PolarHBondContact O-N 2.91Å; P914-F917 PolarHBondContact O-N 3.24Å; P914-F917 VanDerWaalsContact O-N 3.14Å; P914-H918 PolarHBondContact O-ND1 3.06Å |
| 915 | Q | 81.4 | Confident | 84.5 | Confident | 105 Ų | 105 | 32.1 Ų | 32.1 | 49% | 0.491 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -53.5 | -30.6 | 172.2 | 63.6 | -84.2 | 11.6 | 0 | 0 | 114.2 | E913 F917 H918 | E913-Q915 VanDerWaalsContact CB-NE2 3.28Å; E913-Q915 PolarHBondContact O-N 2.93Å; E913-Q915 PolarHBondContact OE2-NE2 2.59Å; Q915-F917 PolarHBondContact O-N 3.01Å; Q915-H918 VanDerWaalsContact CA-ND1 3.27Å; Q915-H918 WeakPolarHBondContact CA-ND1 3.37Å; Q915-H918 PolarHBondContact O-N 3.5Å; Q915-H918 PolarHBondContact O-ND1 3.26Å |
| 916 | L | 85.1 | Confident | 84.3 | Confident | 14 Ų | 14 | 31.9 Ų | 31.9 | 7% | 0.073 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -66.9 | -21.5 | -178.7 | -63.5 | 174.3 | 0 | 0 | 0 | 113.1 | F909 E913 P914 Y964 R1032 | F909-L916 HydrophobicContact CB-CD1 4.27Å; E913-L916 HydrophobicContact CB-CD1 3.77Å; E913-L916 HydrophobicContact CB-CG 4.04Å; E913-L916 WeakPolarHBondContact O-CB 3.39Å; E913-L916 WeakPolarHBondContact O-CG 3.5Å; E913-L916 PolarHBondContact O-N 3.29Å; P914-L916 PolarHBondContact O-N 2.91Å; L916-Y964 HydrophobicContact CD1-CD2 3.98Å; L916-Y964 HydrophobicContact CD1-CE2 3.83Å; L916-R1032 PolarHBondContact O-NH2 3.37Å |
| 917 | F | 87.6 | Confident | 84 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -109.8 | 11.6 | -172.8 | -59.8 | -96.3 | 0 | 0 | 0 | 113.2 | K858 L906 F909 I910 P914 Q915 E919 M920 L923 L967 | K858-F917 PolarHBondContact NZ-O 2.9Å; L906-F917 HydrophobicContact CD2-CE1 3.79Å; L906-F917 HydrophobicContact CD2-CZ 4.03Å; L906-F917 WeakPolarHBondContact O-CZ 3.48Å; F909-F917 HydrophobicContact CB-CE2 3.65Å; F909-F917 HydrophobicContact CB-CZ 3.85Å; I910-F917 VanDerWaalsContact CA-CE2 3.5Å; I910-F917 HydrophobicContact CB-CD2 3.87Å; I910-F917 HydrophobicContact CB-CE1 4.5Å; I910-F917 HydrophobicContact CB-CE2 3.75Å; I910-F917 HydrophobicContact CB-CG 4.33Å; I910-F917 HydrophobicContact CB-CZ 4.07Å; I910-F917 HydrophobicContact CD1-CB 4.34Å; I910-F917 HydrophobicContact CD1-CD1 4.29Å; I910-F917 HydrophobicContact CD1-CD2 4.45Å; I910-F917 HydrophobicContact CD1-CG 4.11Å; I910-F917 HydrophobicContact CG1-CB 4.31Å; I910-F917 HydrophobicContact CG1-CD1 4.44Å; I910-F917 HydrophobicContact CG1-CD2 3.77Å; I910-F917 HydrophobicContact CG1-CE2 4.19Å; I910-F917 HydrophobicContact CG1-CG 3.92Å; I910-F917 VanDerWaalsContact N-CE2 3.3Å; P914-F917 PolarHBondContact O-N 3.24Å; P914-F917 VanDerWaalsContact O-N 3.14Å; Q915-F917 PolarHBondContact O-N 3.01Å; F917-E919 PolarHBondContact O-N 3.17Å; F917-M920 PolarHBondContact O-N 3.37Å; F917-L923 HydrophobicContact CD1-CD1 4.07Å; F917-L923 HydrophobicContact CD1-CD2 3.91Å; F917-L923 HydrophobicContact CE1-CD1 3.86Å; F917-L923 HydrophobicContact CE1-CD2 4.12Å; F917-L967 HydrophobicContact CE1-CD1 4.45Å; F917-L967 HydrophobicContact CZ-CD1 4Å |
| 918 | H | 79.5 | Confident | 84 | Confident | 100 Ų | 100 | 32.3 Ų | 32.3 | 46% | 0.463 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 138.4 | 176.3 | -80 | 47.4 | 0 | 0 | 0 | 110.5 | P914 Q915 M920 | P914-H918 PolarHBondContact O-ND1 3.06Å; Q915-H918 VanDerWaalsContact CA-ND1 3.27Å; Q915-H918 WeakPolarHBondContact CA-ND1 3.37Å; Q915-H918 PolarHBondContact O-N 3.5Å; Q915-H918 PolarHBondContact O-ND1 3.26Å; H918-M920 PolarHBondContact O-N 3.41Å |
| 919 | E | 78.4 | Confident | 84.2 | Confident | 54 Ų | 54 | 31.6 Ų | 31.6 | 25% | 0.252 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 27.9 | 179.2 | -51.5 | -57.2 | 154.8 | 0 | 0 | 115.1 | F917 V1033 R1035 | F917-E919 PolarHBondContact O-N 3.17Å; E919-V1033 HydrophobicContact CB-CG2 3.99Å; E919-V1033 WeakPolarHBondContact CB-O 3.49Å; E919-V1033 WeakPolarHBondContact CG-O 3.35Å; E919-V1033 PolarHBondContact O-N 2.92Å; E919-R1035 HydrophobicContact CG-CG 4.34Å |
| 920 | M | 85.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -118.1 | 118.9 | 169.9 | -62.6 | 168.9 | 56.6 | 0 | 0 | 107.8 | K858 F917 H918 L923 L967 L1030 R1032 | K858-M920 WeakPolarHBondContact CD-O 3.35Å; K858-M920 WeakPolarHBondContact CE-O 3.34Å; K858-M920 PolarHBondContact NZ-O 3.23Å; F917-M920 PolarHBondContact O-N 3.37Å; H918-M920 PolarHBondContact O-N 3.41Å; M920-L923 HydrophobicContact CE-CD2 3.43Å; M920-L923 VanDerWaalsContact CE-CD2 3.43Å; M920-L967 HydrophobicContact CE-CD2 4.42Å; M920-L1030 HydrophobicContact CE-CB 3.87Å; M920-L1030 HydrophobicContact CE-CD2 4.01Å; M920-L1030 HydrophobicContact CE-CG 4.37Å; M920-L1030 HydrophobicContact SD-CB 4.38Å; M920-R1032 HydrophobicContact CG-CB 4.28Å | ||
| 921 | L | 84.2 | Confident | 84.2 | Confident | 15 Ų | 15 | 32.8 Ų | 32.8 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | trans | -97.5 | -29.5 | 178.6 | -45.5 | 174.5 | 0 | 0 | 0 | 112.2 | K858 Q859 Y1038 L1071 A1074 L1075 E1078 | K858-L921 CarbonylContact C-O 3.55Å; K858-L921 VanDerWaalsContact CA-O 3.29Å; K858-L921 WeakPolarHBondContact CA-O 3.39Å; Q859-L921 PolarHBondContact N-O 2.99Å; L921-Y1038 HydrophobicContact CD1-CD2 4.33Å; L921-Y1038 HydrophobicContact CD1-CE1 4.2Å; L921-Y1038 HydrophobicContact CD1-CE2 3.65Å; L921-Y1038 HydrophobicContact CD2-CE2 4.33Å; L921-Y1038 HydrophobicContact CG-CE2 3.96Å; L921-L1071 HydrophobicContact CD1-CD1 4.32Å; L921-L1071 HydrophobicContact CD2-CD1 3.87Å; L921-A1074 HydrophobicContact CD1-CB 3.57Å; L921-L1075 HydrophobicContact CB-CD2 4.06Å; L921-L1075 HydrophobicContact CD1-CD2 4.24Å; L921-E1078 WeakPolarHBondContact CA-OE2 3.36Å; L921-E1078 WeakPolarHBondContact CB-OE2 3.29Å; L921-E1078 HydrophobicContact CD1-CB 4.44Å; L921-E1078 WeakPolarHBondContact CG-OE2 3.49Å; L921-E1078 PolarHBondContact N-OE2 3.25Å; L921-E1078 VanDerWaalsContact N-OE2 3.14Å | ||
| 922 | R | 86.9 | Confident | 84.8 | Confident | 33 Ų | 33 | 28.4 Ų | 28.4 | 13% | 0.125 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.1 | 177.5 | -171.5 | 178.6 | -70.6 | -171.9 | 3.5 | 112.6 | Q859 T861 R924 E1078 | Q859-R922 HydrophobicContact CB-CB 4.2Å; Q859-R922 HydrophobicContact CB-CG 3.99Å; Q859-R922 CarbonylContact O-C 3.52Å; Q859-R922 VanDerWaalsContact O-CA 3.31Å; Q859-R922 WeakPolarHBondContact O-CA 3.46Å; Q859-R922 VanDerWaalsContact OE1-NE 3.1Å; T861-R922 HydrophobicContact CG2-CG 3.92Å; R922-R924 HydrophobicContact CG-CG 4.12Å; R922-E1078 WeakPolarHBondContact CB-OE1 3.31Å; R922-E1078 PolarHBondContact N-OE1 2.83Å; R922-E1078 PolarHBondContact N-OE2 2.76Å |
| 923 | L | 89 | Confident | 85.5 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 102.3 | 175.4 | -56.9 | 177.6 | 0 | 0 | 0 | 109.2 | L853 K858 Q859 V860 T861 L906 F917 M920 V925 | L853-L923 HydrophobicContact CD1-CD1 4.38Å; L853-L923 HydrophobicContact CD2-CD1 3.66Å; L853-L923 HydrophobicContact CG-CD1 4.49Å; K858-L923 HydrophobicContact CB-CD1 3.92Å; K858-L923 HydrophobicContact CB-CG 4.13Å; K858-L923 HydrophobicContact CG-CD1 4.39Å; Q859-L923 PolarHBondContact O-N 3.1Å; V860-L923 WeakPolarHBondContact CA-O 3.42Å; T861-L923 PolarHBondContact N-O 3.32Å; L906-L923 HydrophobicContact CD1-CD1 4.35Å; F917-L923 HydrophobicContact CD1-CD1 4.07Å; F917-L923 HydrophobicContact CD1-CD2 3.91Å; F917-L923 HydrophobicContact CE1-CD1 3.86Å; F917-L923 HydrophobicContact CE1-CD2 4.12Å; M920-L923 HydrophobicContact CE-CD2 3.43Å; M920-L923 VanDerWaalsContact CE-CD2 3.43Å; L923-V925 PolarHBondContact O-N 3.44Å |
| 924 | R | 88.4 | Confident | 85.5 | Confident | 21 Ų | 21 | 25.7 Ų | 25.7 | 8% | 0.079 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 90.9 | 179.8 | -60.7 | 178.1 | 74.1 | -179 | -1.3 | 110.2 | T861 E869 R922 G926 L927 I928 N1082 | T861-R924 HydrophobicContact CG2-CG 4.22Å; T861-R924 WeakPolarHBondContact OG1-CA 3.33Å; E869-R924 IonicContact OE1-CZ 2.97Å; E869-R924 IonicContact OE1-NE 2.78Å; E869-R924 PolarHBondContact OE1-NE 3.04Å; E869-R924 IonicContact OE1-NH2 3.79Å; E869-R924 IonicContact OE2-CZ 2.87Å; E869-R924 IonicContact OE2-NE 3.92Å; E869-R924 PolarHBondContact OE2-NE 3.38Å; E869-R924 IonicContact OE2-NH2 3.82Å; E869-R924 PolarHBondContact OE2-NH2 3.33Å; R922-R924 HydrophobicContact CG-CG 4.12Å; R924-G926 VanDerWaalsContact C-N 3.28Å; R924-G926 PolarHBondContact O-N 3.14Å; R924-L927 HydrophobicContact CB-CB 4.12Å; R924-L927 HydrophobicContact CB-CD1 4.09Å; R924-L927 HydrophobicContact CB-CG 4.02Å; R924-L927 PolarHBondContact O-N 3.13Å; R924-L927 VanDerWaalsContact O-N 3.08Å; R924-I928 WeakPolarHBondContact O-CG1 3.38Å; R924-I928 PolarHBondContact O-N 3.1Å; R924-N1082 PolarHBondContact NH1-OD1 3.34Å |
| 925 | V | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.1 | -38 | -169.3 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | V860 T861 T899 L902 M903 L906 L923 L927 I928 I929 | V860-V925 HydrophobicContact CG1-CG2 3.72Å; T861-V925 WeakPolarHBondContact O-CB 3.13Å; T861-V925 WeakPolarHBondContact O-CG2 3.31Å; T861-V925 PolarHBondContact O-N 3.15Å; T899-V925 HydrophobicContact CG2-CB 4.38Å; T899-V925 HydrophobicContact CG2-CG1 3.96Å; L902-V925 HydrophobicContact CB-CG1 3.95Å; L902-V925 HydrophobicContact CD1-CG1 4.06Å; M903-V925 HydrophobicContact CG-CG2 4.06Å; L906-V925 HydrophobicContact CD1-CG2 4.07Å; L923-V925 PolarHBondContact O-N 3.44Å; V925-L927 PolarHBondContact O-N 2.89Å; V925-I928 WeakPolarHBondContact O-CB 3.41Å; V925-I928 PolarHBondContact O-N 3.4Å; V925-I929 HydrophobicContact CG1-CD1 4.24Å; V925-I929 WeakPolarHBondContact O-CG1 3.47Å; V925-I929 PolarHBondContact O-N 3.26Å |
| 926 | G | 87.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | G863 R924 I928 I929 Q930 | G863-G926 VanDerWaalsContact O-CA 3.29Å; G863-G926 WeakPolarHBondContact O-CA 3.18Å; R924-G926 VanDerWaalsContact C-N 3.28Å; R924-G926 PolarHBondContact O-N 3.14Å; G926-I928 VanDerWaalsContact C-N 3.34Å; G926-I929 PolarHBondContact O-N 3.24Å; G926-Q930 WeakPolarHBondContact O-CG 3.28Å; G926-Q930 PolarHBondContact O-N 3.27Å |
| 927 | L | 85 | Confident | 85.7 | Confident | 8 Ų | 8 | 18.9 Ų | 18.9 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.5 | -38.5 | 174.5 | -67.6 | -171.6 | 0 | 0 | 0 | 111.4 | P865 R924 V925 I929 Q930 V931 | P865-L927 HydrophobicContact CB-CD2 3.75Å; P865-L927 HydrophobicContact CB-CG 4.42Å; P865-L927 HydrophobicContact CG-CD2 3.66Å; P865-L927 HydrophobicContact CG-CG 3.86Å; R924-L927 HydrophobicContact CB-CB 4.12Å; R924-L927 HydrophobicContact CB-CD1 4.09Å; R924-L927 HydrophobicContact CB-CG 4.02Å; R924-L927 PolarHBondContact O-N 3.13Å; R924-L927 VanDerWaalsContact O-N 3.08Å; V925-L927 PolarHBondContact O-N 2.89Å; L927-I929 VanDerWaalsContact C-N 3.31Å; L927-I929 PolarHBondContact O-N 3.2Å; L927-Q930 PolarHBondContact O-N 3.13Å; L927-V931 WeakPolarHBondContact O-CB 3.44Å; L927-V931 VanDerWaalsContact O-CG2 3.3Å; L927-V931 WeakPolarHBondContact O-CG2 3.36Å; L927-V931 PolarHBondContact O-N 3.34Å |
| 928 | I | 88.6 | Confident | 85.3 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 176.5 | -66.1 | 169.4 | 0 | 0 | 0 | 109.9 | L906 R924 V925 G926 V931 M932 L963 L1030 | L906-I928 HydrophobicContact CD1-CD1 4.32Å; L906-I928 HydrophobicContact CD2-CD1 4.46Å; R924-I928 WeakPolarHBondContact O-CG1 3.38Å; R924-I928 PolarHBondContact O-N 3.1Å; V925-I928 WeakPolarHBondContact O-CB 3.41Å; V925-I928 PolarHBondContact O-N 3.4Å; G926-I928 VanDerWaalsContact C-N 3.34Å; I928-V931 PolarHBondContact O-N 2.94Å; I928-M932 HydrophobicContact CG2-CG 4.42Å; I928-M932 HydrophobicContact CG2-SD 3.83Å; I928-M932 WeakPolarHBondContact O-CB 3.43Å; I928-M932 WeakPolarHBondContact O-CG 3.47Å; I928-M932 PolarHBondContact O-N 3.36Å; I928-L963 HydrophobicContact CG2-CD1 3.55Å; I928-L1030 HydrophobicContact CD1-CD2 4.1Å; I928-L1030 HydrophobicContact CG1-CD2 3.77Å |
| 929 | I | 89.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 174.9 | -68.5 | 166.9 | 0 | 0 | 0 | 111.1 | I679 T895 L898 T899 L902 V925 G926 L927 V931 M932 A933 L951 | I679-I929 HydrophobicContact CD1-CG2 3.72Å; I679-I929 HydrophobicContact CG1-CG2 3.96Å; T895-I929 HydrophobicContact CG2-CD1 4.18Å; L898-I929 HydrophobicContact CD2-CD1 4.36Å; L898-I929 HydrophobicContact CD2-CG1 4.34Å; L898-I929 HydrophobicContact CD2-CG2 4.34Å; L898-I929 HydrophobicContact CG-CD1 4.43Å; T899-I929 WeakPolarHBondContact OG1-CD1 3.45Å; L902-I929 HydrophobicContact CD1-CD1 3.9Å; L902-I929 HydrophobicContact CD1-CG1 3.3Å; V925-I929 HydrophobicContact CG1-CD1 4.24Å; V925-I929 WeakPolarHBondContact O-CG1 3.47Å; V925-I929 PolarHBondContact O-N 3.26Å; G926-I929 PolarHBondContact O-N 3.24Å; L927-I929 VanDerWaalsContact C-N 3.31Å; L927-I929 PolarHBondContact O-N 3.2Å; I929-V931 VanDerWaalsContact C-N 3.33Å; I929-V931 PolarHBondContact O-N 3.47Å; I929-M932 PolarHBondContact O-N 3.15Å; I929-A933 PolarHBondContact O-N 2.72Å; I929-L951 HydrophobicContact CG2-CD2 4.05Å |
| 930 | Q | 85.5 | Confident | 85.3 | Confident | 23 Ų | 23 | 22.9 Ų | 22.9 | 11% | 0.107 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 178.2 | -73.3 | 174.5 | -15.6 | 0 | 0 | 111.9 | M864 P865 G926 L927 A933 K934 | M864-Q930 HydrophobicContact CE-CG 3.63Å; P865-Q930 PolarHBondContact O-NE2 2.82Å; G926-Q930 WeakPolarHBondContact O-CG 3.28Å; G926-Q930 PolarHBondContact O-N 3.27Å; L927-Q930 PolarHBondContact O-N 3.13Å; Q930-A933 PolarHBondContact O-N 3.35Å; Q930-K934 WeakPolarHBondContact O-CB 3.39Å; Q930-K934 PolarHBondContact O-N 3.1Å |
| 931 | V | 85.2 | Confident | 85 | Confident | 21 Ų | 21 | 30.2 Ų | 30.2 | 13% | 0.127 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.3 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | L927 I928 I929 A933 K934 E935 I966 L1026 A1029 | L927-V931 WeakPolarHBondContact O-CB 3.44Å; L927-V931 VanDerWaalsContact O-CG2 3.3Å; L927-V931 WeakPolarHBondContact O-CG2 3.36Å; L927-V931 PolarHBondContact O-N 3.34Å; I928-V931 PolarHBondContact O-N 2.94Å; I929-V931 VanDerWaalsContact C-N 3.33Å; I929-V931 PolarHBondContact O-N 3.47Å; V931-A933 VanDerWaalsContact C-N 3.34Å; V931-A933 PolarHBondContact O-N 3.48Å; V931-K934 PolarHBondContact O-N 3.15Å; V931-E935 HydrophobicContact CG1-CG 4.49Å; V931-E935 WeakPolarHBondContact O-CB 3.33Å; V931-E935 WeakPolarHBondContact O-CG 3.37Å; V931-E935 PolarHBondContact O-N 3.34Å; V931-I966 HydrophobicContact CG1-CD1 4.25Å; V931-I966 HydrophobicContact CG1-CG2 4.05Å; V931-L1026 HydrophobicContact CG1-CD2 3.34Å; V931-A1029 HydrophobicContact CG2-CB 3.43Å; V931-A1029 VanDerWaalsContact CG2-CB 3.43Å |
| 932 | M | 87.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 176.5 | -72.2 | 169.6 | 76.9 | 0 | 0 | 111.2 | L902 I928 I929 E935 L936 L951 M959 L962 L963 I966 | L902-M932 HydrophobicContact CD1-SD 4.29Å; L902-M932 HydrophobicContact CD2-CE 4.14Å; L902-M932 HydrophobicContact CD2-SD 4.21Å; I928-M932 HydrophobicContact CG2-CG 4.42Å; I928-M932 HydrophobicContact CG2-SD 3.83Å; I928-M932 WeakPolarHBondContact O-CB 3.43Å; I928-M932 WeakPolarHBondContact O-CG 3.47Å; I928-M932 PolarHBondContact O-N 3.36Å; I929-M932 PolarHBondContact O-N 3.15Å; M932-E935 PolarHBondContact O-N 2.7Å; M932-L936 WeakPolarHBondContact O-CG 3.25Å; M932-L936 PolarHBondContact O-N 3.48Å; M932-L951 HydrophobicContact CB-CD1 4.09Å; M932-L951 HydrophobicContact CB-CD2 4.4Å; M932-L951 HydrophobicContact CE-CD1 4.23Å; M932-M959 HydrophobicContact CE-SD 3.37Å; M932-M959 WeakPolarHBondContact CE-SD 3.18Å; M932-L962 HydrophobicContact CB-CD2 4.04Å; M932-L962 HydrophobicContact CB-CG 4.46Å; M932-L962 HydrophobicContact CE-CB 3.8Å; M932-L962 HydrophobicContact CE-CD2 3.68Å; M932-L962 HydrophobicContact CE-CG 3.66Å; M932-L962 HydrophobicContact CG-CD2 4.32Å; M932-L962 HydrophobicContact CG-CG 4.24Å; M932-L963 HydrophobicContact CE-CB 4.18Å; M932-L963 HydrophobicContact SD-CD1 4.15Å; M932-I966 HydrophobicContact CG-CG1 3.88Å |
| 933 | A | 88.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I679 V681 I929 Q930 V931 E935 L936 S937 L951 | I679-A933 HydrophobicContact CG2-CB 4.21Å; V681-A933 HydrophobicContact CG2-CB 3.63Å; I929-A933 PolarHBondContact O-N 2.72Å; Q930-A933 PolarHBondContact O-N 3.35Å; V931-A933 VanDerWaalsContact C-N 3.34Å; V931-A933 PolarHBondContact O-N 3.48Å; A933-E935 PolarHBondContact O-N 2.93Å; A933-L936 PolarHBondContact O-N 2.91Å; A933-S937 PolarHBondContact O-N 2.6Å; A933-L951 HydrophobicContact CB-CD2 3.99Å |
| 934 | K | 81.9 | Confident | 84.2 | Confident | 76 Ų | 76 | 33.9 Ų | 33.9 | 33% | 0.33 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 178.3 | -161.1 | 81.9 | 175.1 | -176.3 | 0 | 111.8 | V681 D684 Q930 V931 S937 R938 | V681-K934 HydrophobicContact CG1-CD 3.78Å; V681-K934 PolarHBondContact O-NZ 3.23Å; D684-K934 IonicContact OD1-NZ 3.23Å; Q930-K934 WeakPolarHBondContact O-CB 3.39Å; Q930-K934 PolarHBondContact O-N 3.1Å; V931-K934 PolarHBondContact O-N 3.15Å; K934-S937 PolarHBondContact O-N 2.74Å; K934-R938 PolarHBondContact O-N 3.14Å |
| 935 | E | 81.4 | Confident | 83.8 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -38.5 | 174.8 | -77.3 | -66.4 | 143.8 | 0 | 0 | 112 | V931 M932 A933 R938 T939 I966 F972 R1022 L1026 | V931-E935 HydrophobicContact CG1-CG 4.49Å; V931-E935 WeakPolarHBondContact O-CB 3.33Å; V931-E935 WeakPolarHBondContact O-CG 3.37Å; V931-E935 PolarHBondContact O-N 3.34Å; M932-E935 PolarHBondContact O-N 2.7Å; A933-E935 PolarHBondContact O-N 2.93Å; E935-R938 PolarHBondContact O-N 3.33Å; E935-R938 IonicContact OE1-NE 3.03Å; E935-R938 IonicContact OE2-CZ 3.68Å; E935-R938 IonicContact OE2-NE 3.48Å; E935-R938 PolarHBondContact OE2-NE 3.01Å; E935-R938 IonicContact OE2-NH2 3.84Å; E935-R938 PolarHBondContact OE2-NH2 3.09Å; E935-T939 PolarHBondContact O-N 3.08Å; E935-T939 PolarHBondContact O-OG1 2.83Å; E935-I966 HydrophobicContact CB-CD1 4.21Å; E935-I966 HydrophobicContact CG-CD1 3.81Å; E935-F972 HydrophobicContact CB-CZ 4.14Å; E935-R1022 VanDerWaalsContact CD-NE 3.28Å; E935-R1022 IonicContact OE1-CZ 3.87Å; E935-R1022 IonicContact OE1-NE 2.64Å; E935-R1022 PolarHBondContact OE1-NE 3.41Å; E935-R1022 IonicContact OE1-NH2 3.37Å; E935-R1022 IonicContact OE2-CZ 2.82Å; E935-R1022 VanDerWaalsContact OE2-CZ 3.28Å; E935-R1022 IonicContact OE2-NE 2.89Å; E935-R1022 PolarHBondContact OE2-NE 3.2Å; E935-R1022 IonicContact OE2-NH2 3.06Å; E935-R1022 PolarHBondContact OE2-NH2 3.44Å; E935-L1026 HydrophobicContact CG-CD2 4.48Å |
| 936 | L | 83.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 172.2 | -74.4 | 174.2 | 0 | 0 | 0 | 112.1 | M932 A933 R938 T939 L940 L951 L954 L962 V974 | M932-L936 WeakPolarHBondContact O-CG 3.25Å; M932-L936 PolarHBondContact O-N 3.48Å; A933-L936 PolarHBondContact O-N 2.91Å; L936-R938 VanDerWaalsContact C-N 3.29Å; L936-R938 PolarHBondContact O-N 2.89Å; L936-T939 PolarHBondContact O-N 2.86Å; L936-L940 VanDerWaalsContact O-CB 3.31Å; L936-L940 WeakPolarHBondContact O-CB 3.35Å; L936-L940 WeakPolarHBondContact O-CG 3.44Å; L936-L940 PolarHBondContact O-N 2.87Å; L936-L951 HydrophobicContact CD1-CB 3.86Å; L936-L951 HydrophobicContact CD1-CD1 3.79Å; L936-L951 HydrophobicContact CD1-CG 4.41Å; L936-L954 HydrophobicContact CD1-CD1 4.34Å; L936-L962 HydrophobicContact CD1-CD2 3.87Å; L936-L962 HydrophobicContact CD2-CD2 4.29Å; L936-L962 HydrophobicContact CG-CD2 4.02Å; L936-V974 HydrophobicContact CD2-CG2 4.08Å |
| 937 | S | 84.1 | Confident | 83.3 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.3 | -46.2 | 175 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | A933 K934 N941 C942 | A933-S937 PolarHBondContact O-N 2.6Å; K934-S937 PolarHBondContact O-N 2.74Å; S937-N941 VanDerWaalsContact O-CA 3.23Å; S937-N941 WeakPolarHBondContact O-CA 3.3Å; S937-N941 PolarHBondContact O-N 2.93Å; S937-C942 PolarHBondContact O-N 3.46Å; S937-C942 VanDerWaalsContact O-N 3.1Å; S937-C942 PolarHBondContact OG-O 3.15Å |
| 938 | R | 78.9 | Confident | 83.3 | Confident | 139 Ų | 139 | 39.4 Ų | 39.4 | 53% | 0.525 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.4 | -45.9 | 178 | -171.4 | -174 | 65.6 | 78 | 6.3 | 112.4 | K934 E935 L936 | K934-R938 PolarHBondContact O-N 3.14Å; E935-R938 PolarHBondContact O-N 3.33Å; E935-R938 IonicContact OE1-NE 3.03Å; E935-R938 IonicContact OE2-CZ 3.68Å; E935-R938 IonicContact OE2-NE 3.48Å; E935-R938 PolarHBondContact OE2-NE 3.01Å; E935-R938 IonicContact OE2-NH2 3.84Å; E935-R938 PolarHBondContact OE2-NH2 3.09Å; L936-R938 VanDerWaalsContact C-N 3.29Å; L936-R938 PolarHBondContact O-N 2.89Å |
| 939 | T | 78.8 | Confident | 83.1 | Confident | 46 Ų | 46 | 41.4 Ų | 41.4 | 28% | 0.282 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -73 | -32.7 | -176.4 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | E935 L936 V974 | E935-T939 PolarHBondContact O-N 3.08Å; E935-T939 PolarHBondContact O-OG1 2.83Å; L936-T939 PolarHBondContact O-N 2.86Å; T939-V974 HydrophobicContact CG2-CB 3.89Å; T939-V974 HydrophobicContact CG2-CG2 3.67Å |
| 940 | L | 79.6 | Confident | 83 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 29% | 0.293 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -91.9 | -6.5 | 177.7 | -64.5 | 175.7 | 0 | 0 | 0 | 113.4 | L936 C942 H950 V974 L982 | L936-L940 VanDerWaalsContact O-CB 3.31Å; L936-L940 WeakPolarHBondContact O-CB 3.35Å; L936-L940 WeakPolarHBondContact O-CG 3.44Å; L936-L940 PolarHBondContact O-N 2.87Å; L940-C942 VanDerWaalsContact C-N 3.3Å; L940-C942 PolarHBondContact O-N 3.49Å; L940-H950 HydrophobicContact CD1-CB 4.4Å; L940-V974 HydrophobicContact CD2-CB 4.22Å; L940-V974 HydrophobicContact CD2-CG1 3.82Å; L940-L982 HydrophobicContact CD1-CD1 4.09Å; L940-L982 HydrophobicContact CD1-CD2 4.12Å; L940-L982 HydrophobicContact CD2-CD2 4.01Å |
| 941 | N | 80.2 | Confident | 83.2 | Confident | 153 Ų | 153 | 43.4 Ų | 43.4 | 82% | 0.818 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 48.6 | -174.2 | -164.5 | 49.7 | 0 | 0 | 0 | 112.3 | S937 | S937-N941 VanDerWaalsContact O-CA 3.23Å; S937-N941 WeakPolarHBondContact O-CA 3.3Å; S937-N941 PolarHBondContact O-N 2.93Å |
| 942 | C | 82.2 | Confident | 83.4 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | trans | -120.4 | 164.5 | 180 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | S937 L940 A946 | S937-C942 PolarHBondContact O-N 3.46Å; S937-C942 VanDerWaalsContact O-N 3.1Å; S937-C942 PolarHBondContact OG-O 3.15Å; L940-C942 VanDerWaalsContact C-N 3.3Å; L940-C942 PolarHBondContact O-N 3.49Å; C942-A946 HydrophobicContact CB-CB 4.14Å | ||
| 943 | D | 83.6 | Confident | 83.5 | Confident | 94 Ų | 94 | 45 Ų | 45 | 50% | 0.503 | 23% | 0.228 | S | C | . | . | trans | -69.1 | 167.9 | 175.9 | 63.4 | 8 | 0 | 0 | 0 | 112.1 | E945 A946 A947 | D943-E945 VanDerWaalsContact C-N 3.34Å; D943-E945 PolarHBondContact O-N 2.99Å; D943-A946 PolarHBondContact O-N 3.26Å; D943-A946 WeakPolarHBondContact OD1-CB 3.39Å; D943-A946 PolarHBondContact OD1-N 3.24Å; D943-A947 WeakPolarHBondContact O-CB 3.45Å; D943-A947 PolarHBondContact O-N 3.08Å | ||
| 944 | G | 77 | Confident | 83.6 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V681 D682 A947 S948 | V681-G944 VanDerWaalsContact CB-CA 3.43Å; D682-G944 VanDerWaalsContact OD1-CA 3.27Å; D682-G944 WeakPolarHBondContact OD1-CA 3.24Å; D682-G944 PolarHBondContact OD1-N 3.27Å; G944-A947 PolarHBondContact O-N 3.36Å; G944-S948 PolarHBondContact O-N 3.06Å |
| 945 | E | 80.4 | Confident | 84 | Confident | 116 Ų | 116 | 42.7 Ų | 42.7 | 54% | 0.542 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.1 | -47 | 178.2 | -167.8 | 179.2 | 171.3 | 0 | 0 | 111.7 | D943 A947 S948 E949 | D943-E945 VanDerWaalsContact C-N 3.34Å; D943-E945 PolarHBondContact O-N 2.99Å; E945-A947 VanDerWaalsContact C-N 3.33Å; E945-A947 PolarHBondContact O-N 3.31Å; E945-S948 PolarHBondContact O-N 3.46Å; E945-E949 PolarHBondContact O-N 2.91Å; E945-E949 VanDerWaalsContact O-N 3.08Å |
| 946 | A | 81.6 | Confident | 84.4 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 21% | 0.207 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | C942 D943 S948 E949 H950 | C942-A946 HydrophobicContact CB-CB 4.14Å; D943-A946 PolarHBondContact O-N 3.26Å; D943-A946 WeakPolarHBondContact OD1-CB 3.39Å; D943-A946 PolarHBondContact OD1-N 3.24Å; A946-S948 VanDerWaalsContact C-N 3.35Å; A946-S948 PolarHBondContact O-N 3.04Å; A946-E949 PolarHBondContact O-N 3.19Å; A946-H950 PolarHBondContact O-CD2 3.38Å; A946-H950 PolarHBondContact O-N 3.01Å |
| 947 | A | 85.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | D943 G944 E945 H950 L951 | D943-A947 WeakPolarHBondContact O-CB 3.45Å; D943-A947 PolarHBondContact O-N 3.08Å; G944-A947 PolarHBondContact O-N 3.36Å; E945-A947 VanDerWaalsContact C-N 3.33Å; E945-A947 PolarHBondContact O-N 3.31Å; A947-H950 PolarHBondContact O-N 3.49Å; A947-L951 WeakPolarHBondContact O-CB 3.29Å; A947-L951 PolarHBondContact O-N 2.86Å |
| 948 | S | 85.8 | Confident | 85 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 174.2 | -177.4 | 0 | 0 | 0 | 0 | 112 | I679 G944 E945 A946 L951 L952 | I679-S948 WeakPolarHBondContact CB-OG 3.36Å; G944-S948 PolarHBondContact O-N 3.06Å; E945-S948 PolarHBondContact O-N 3.46Å; A946-S948 VanDerWaalsContact C-N 3.35Å; A946-S948 PolarHBondContact O-N 3.04Å; S948-L951 PolarHBondContact O-N 3.22Å; S948-L952 PolarHBondContact O-N 3.19Å |
| 949 | E | 84.5 | Confident | 85.6 | Confident | 44 Ų | 44 | 37.7 Ų | 37.7 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 175.3 | -175 | 160.9 | -146.5 | 0 | 0 | 112.6 | K674 E945 A946 N953 | K674-E949 VanDerWaalsContact CE-OE1 3.27Å; K674-E949 WeakPolarHBondContact CE-OE1 3.44Å; K674-E949 IonicContact NZ-OE1 3.94Å; K674-E949 PolarHBondContact NZ-OE1 3.1Å; K674-E949 IonicContact NZ-OE2 3.58Å; K674-E949 PolarHBondContact NZ-OE2 3.37Å; E945-E949 PolarHBondContact O-N 2.91Å; E945-E949 VanDerWaalsContact O-N 3.08Å; A946-E949 PolarHBondContact O-N 3.19Å; E949-N953 WeakPolarHBondContact O-CB 3.34Å; E949-N953 PolarHBondContact O-N 3.45Å; E949-N953 VanDerWaalsContact O-N 3.16Å; E949-N953 PolarHBondContact O-ND2 3.05Å; E949-N953 VanDerWaalsContact O-ND2 3.09Å |
| 950 | H | 87.6 | Confident | 86.2 | Confident | 66 Ų | 66 | 36.1 Ų | 36.1 | 31% | 0.306 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 173.8 | -74 | -46.9 | 0 | 0 | 0 | 112.1 | L940 A946 A947 N953 L954 L982 | L940-H950 HydrophobicContact CD1-CB 4.4Å; A946-H950 PolarHBondContact O-CD2 3.38Å; A946-H950 PolarHBondContact O-N 3.01Å; A947-H950 PolarHBondContact O-N 3.49Å; H950-N953 PolarHBondContact O-N 3.38Å; H950-L954 PolarHBondContact O-N 3.47Å; H950-L982 HydrophobicContact CB-CD1 3.65Å |
| 951 | L | 89.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -50.3 | 177.3 | -177.6 | 65.1 | 0 | 0 | 0 | 111.5 | I679 L898 I929 M932 A933 L936 A947 S948 N953 L954 M959 L962 | I679-L951 HydrophobicContact CD1-CD2 4.46Å; L898-L951 HydrophobicContact CD2-CD2 4.34Å; L898-L951 HydrophobicContact CD2-CG 4.45Å; I929-L951 HydrophobicContact CG2-CD2 4.05Å; M932-L951 HydrophobicContact CB-CD1 4.09Å; M932-L951 HydrophobicContact CB-CD2 4.4Å; M932-L951 HydrophobicContact CE-CD1 4.23Å; A933-L951 HydrophobicContact CB-CD2 3.99Å; L936-L951 HydrophobicContact CD1-CB 3.86Å; L936-L951 HydrophobicContact CD1-CD1 3.79Å; L936-L951 HydrophobicContact CD1-CG 4.41Å; A947-L951 WeakPolarHBondContact O-CB 3.29Å; A947-L951 PolarHBondContact O-N 2.86Å; S948-L951 PolarHBondContact O-N 3.22Å; L951-N953 PolarHBondContact O-N 3.42Å; L951-L954 HydrophobicContact CD1-CD1 4.1Å; L951-L954 WeakPolarHBondContact O-CB 3.37Å; L951-L954 PolarHBondContact O-N 3.47Å; L951-M959 HydrophobicContact CD1-CE 3.66Å; L951-M959 HydrophobicContact CD1-SD 3.84Å; L951-M959 HydrophobicContact CG-CE 4Å; L951-M959 WeakPolarHBondContact O-CE 3.32Å; L951-L962 HydrophobicContact CD1-CD2 3.83Å |
| 952 | L | 89.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66 | -19.7 | 179.5 | -74.1 | 172.6 | 0 | 0 | 0 | 113.4 | R677 W829 G830 R833 L898 S948 | R677-L952 HydrophobicContact CG-CD1 4.43Å; W829-L952 CarbonylContact C-O 3.5Å; G830-L952 WeakPolarHBondContact CA-O 3.3Å; G830-L952 PolarHBondContact N-O 3.01Å; G830-L952 VanDerWaalsContact N-O 3.1Å; R833-L952 PolarHBondContact NH1-O 3.42Å; L898-L952 HydrophobicContact CD2-CD2 4.09Å; S948-L952 PolarHBondContact O-N 3.19Å |
| 953 | N | 89.6 | Confident | 87.6 | Confident | 55 Ų | 55 | 26.6 Ų | 26.6 | 29% | 0.294 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -95.8 | -2.1 | 177.1 | -80.1 | -45.7 | 0 | 0 | 0 | 114.3 | G830 E949 H950 L951 | G830-N953 WeakPolarHBondContact CA-OD1 3.3Å; G830-N953 PolarHBondContact N-OD1 3.47Å; E949-N953 WeakPolarHBondContact O-CB 3.34Å; E949-N953 PolarHBondContact O-N 3.45Å; E949-N953 VanDerWaalsContact O-N 3.16Å; E949-N953 PolarHBondContact O-ND2 3.05Å; E949-N953 VanDerWaalsContact O-ND2 3.09Å; H950-N953 PolarHBondContact O-N 3.38Å; L951-N953 PolarHBondContact O-N 3.42Å |
| 954 | L | 90.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -62.6 | 142.1 | 171.3 | -65.1 | -178.4 | 0 | 0 | 0 | 110.6 | R833 L936 H950 L951 E958 M959 L962 L982 I984 | R833-L954 PolarHBondContact NH1-O 3.2Å; R833-L954 PolarHBondContact NH2-O 3.1Å; R833-L954 VanDerWaalsContact NH2-O 3.12Å; L936-L954 HydrophobicContact CD1-CD1 4.34Å; H950-L954 PolarHBondContact O-N 3.47Å; L951-L954 HydrophobicContact CD1-CD1 4.1Å; L951-L954 WeakPolarHBondContact O-CB 3.37Å; L951-L954 PolarHBondContact O-N 3.47Å; L954-E958 HydrophobicContact CB-CB 4.34Å; L954-E958 HydrophobicContact CD2-CB 4.41Å; L954-M959 HydrophobicContact CB-CB 4.49Å; L954-M959 HydrophobicContact CB-CE 4.14Å; L954-M959 HydrophobicContact CD1-CE 4.26Å; L954-L962 HydrophobicContact CD1-CD2 3.85Å; L954-L982 HydrophobicContact CD2-CB 3.77Å; L954-L982 HydrophobicContact CD2-CD1 4.05Å; L954-I984 HydrophobicContact CD1-CD1 4.13Å |
| 955 | S | 89.9 | Confident | 88.3 | Confident | 23 Ų | 23 | 24.8 Ų | 24.8 | 16% | 0.161 | 12% | 0.124 | C | C | . | . | trans | -63.8 | 155.1 | 170.6 | 91.5 | 0 | 0 | 0 | 0 | 110.7 | D535 W829 F957 E958 M959 | D535-S955 WeakPolarHBondContact OD2-CB 3.35Å; D535-S955 PolarHBondContact OD2-OG 3.02Å; W829-S955 VanDerWaalsContact CD1-CA 3.47Å; W829-S955 VanDerWaalsContact NE1-CB 3.28Å; S955-F957 PolarHBondContact O-N 3.46Å; S955-F957 PolarHBondContact OG-N 3.25Å; S955-E958 PolarHBondContact O-N 3.2Å; S955-E958 VanDerWaalsContact O-N 3.13Å; S955-E958 PolarHBondContact OG-N 2.98Å; S955-M959 WeakPolarHBondContact O-CB 3.5Å; S955-M959 PolarHBondContact O-N 3.44Å | ||
| 956 | P | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -47.6 | -41.2 | 172.8 | -31.8 | 37.1 | 0 | 0 | 0 | 114 | D535 L538 W829 Y905 K960 | D535-P956 HydrophobicContact CB-CB 4.11Å; D535-P956 HydrophobicContact CB-CG 4.02Å; D535-P956 WeakPolarHBondContact OD2-CD 3.46Å; L538-P956 HydrophobicContact CD2-CB 3.45Å; L538-P956 VanDerWaalsContact CD2-CB 3.45Å; W829-P956 HydrophobicContact CE3-CG 4.09Å; W829-P956 HydrophobicContact CH2-CG 4.22Å; W829-P956 HydrophobicContact CZ3-CG 3.89Å; Y905-P956 WeakPolarHBondContact OH-CB 3.2Å; Y905-P956 PolarHBondContact OH-O 2.99Å; P956-K960 WeakPolarHBondContact O-CB 3.37Å; P956-K960 PolarHBondContact O-N 3.31Å |
| 957 | F | 89.8 | Confident | 88.8 | Confident | 49 Ų | 49 | 18.2 Ų | 18.2 | 22% | 0.215 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.8 | -47.1 | 176.4 | -176 | -105.8 | 0 | 0 | 0 | 113.2 | D535 D537 L538 S955 M959 K960 N961 | D535-F957 VanDerWaalsContact OD2-CB 3.23Å; D535-F957 WeakPolarHBondContact OD2-CB 3.45Å; D535-F957 PolarHBondContact OD2-N 3.08Å; D537-F957 HydrophobicContact CB-CB 3.94Å; D537-F957 HydrophobicContact CB-CD1 3.81Å; D537-F957 HydrophobicContact CB-CD2 4.01Å; D537-F957 HydrophobicContact CB-CE1 4.3Å; D537-F957 HydrophobicContact CB-CE2 4.49Å; D537-F957 HydrophobicContact CB-CG 3.64Å; L538-F957 HydrophobicContact CB-CB 4.14Å; S955-F957 PolarHBondContact O-N 3.46Å; S955-F957 PolarHBondContact OG-N 3.25Å; F957-M959 VanDerWaalsContact C-N 3.35Å; F957-K960 WeakPolarHBondContact O-CB 3.42Å; F957-K960 PolarHBondContact O-N 2.78Å; F957-N961 WeakPolarHBondContact CD1-ND2 3.21Å; F957-N961 WeakPolarHBondContact CE1-ND2 3.43Å; F957-N961 PolarHBondContact O-N 3.47Å; F957-N961 PolarHBondContact O-ND2 2.9Å |
| 958 | E | 90 | Very high | 88.8 | Confident | 23 Ų | 23 | 19.6 Ų | 19.6 | 11% | 0.107 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.1 | -37.3 | 178.6 | -68.1 | -68.6 | 177.6 | 0 | 0 | 111.4 | L954 S955 K960 N961 L962 S983 I984 | L954-E958 HydrophobicContact CB-CB 4.34Å; L954-E958 HydrophobicContact CD2-CB 4.41Å; S955-E958 PolarHBondContact O-N 3.2Å; S955-E958 VanDerWaalsContact O-N 3.13Å; S955-E958 PolarHBondContact OG-N 2.98Å; E958-K960 VanDerWaalsContact C-N 3.35Å; E958-K960 PolarHBondContact O-N 3.25Å; E958-N961 PolarHBondContact O-N 3.2Å; E958-L962 PolarHBondContact O-N 3.1Å; E958-S983 WeakPolarHBondContact OE1-CA 3.34Å; E958-S983 WeakPolarHBondContact OE1-CB 3.14Å; E958-S983 PolarHBondContact OE1-OG 3.26Å; E958-I984 WeakPolarHBondContact O-CD1 3.5Å; E958-I984 WeakPolarHBondContact OE2-CB 3.06Å; E958-I984 PolarHBondContact OE2-N 2.99Å |
| 959 | M | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58 | -46.2 | 172.5 | -176.4 | 63.3 | 69.4 | 0 | 0 | 111.6 | L898 L902 Y905 M932 L951 L954 S955 F957 N961 L962 L963 | L898-M959 HydrophobicContact CD1-CE 3.37Å; L898-M959 HydrophobicContact CD1-CG 3.95Å; L898-M959 HydrophobicContact CD1-SD 3.7Å; L898-M959 HydrophobicContact CD2-CE 4.29Å; L898-M959 HydrophobicContact CG-CE 4.49Å; L902-M959 HydrophobicContact CD2-CG 3.98Å; L902-M959 HydrophobicContact CD2-SD 4.09Å; Y905-M959 HydrophobicContact CE2-CB 4.27Å; Y905-M959 HydrophobicContact CE2-CG 3.99Å; M932-M959 HydrophobicContact CE-SD 3.37Å; M932-M959 WeakPolarHBondContact CE-SD 3.18Å; L951-M959 HydrophobicContact CD1-CE 3.66Å; L951-M959 HydrophobicContact CD1-SD 3.84Å; L951-M959 HydrophobicContact CG-CE 4Å; L951-M959 WeakPolarHBondContact O-CE 3.32Å; L954-M959 HydrophobicContact CB-CB 4.49Å; L954-M959 HydrophobicContact CB-CE 4.14Å; L954-M959 HydrophobicContact CD1-CE 4.26Å; S955-M959 WeakPolarHBondContact O-CB 3.5Å; S955-M959 PolarHBondContact O-N 3.44Å; F957-M959 VanDerWaalsContact C-N 3.35Å; M959-N961 PolarHBondContact O-N 3.18Å; M959-L962 PolarHBondContact O-N 3.45Å; M959-L963 PolarHBondContact O-N 2.8Å |
| 960 | K | 90.9 | Very high | 87.7 | Confident | 14 Ų | 14 | 24 Ų | 24 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.1 | 178.1 | -176.6 | 174.5 | -172.7 | 0 | 111.8 | L538 S541 Y905 F909 P956 F957 E958 L963 Y964 | L538-K960 HydrophobicContact CD1-CD 3.77Å; S541-K960 PolarHBondContact OG-NZ 3.39Å; Y905-K960 HydrophobicContact CD1-CB 4.34Å; Y905-K960 HydrophobicContact CD1-CD 4.43Å; Y905-K960 HydrophobicContact CD1-CG 4.36Å; Y905-K960 HydrophobicContact CD2-CB 4.01Å; Y905-K960 HydrophobicContact CE1-CB 4.45Å; Y905-K960 HydrophobicContact CE2-CB 4.15Å; Y905-K960 HydrophobicContact CG-CB 4.14Å; Y905-K960 HydrophobicContact CG-CG 4.26Å; F909-K960 HydrophobicContact CE1-CG 4.37Å; F909-K960 HydrophobicContact CE2-CG 4.34Å; F909-K960 HydrophobicContact CZ-CG 3.63Å; F909-K960 WeakPolarHBondContact CZ-O 3.42Å; P956-K960 WeakPolarHBondContact O-CB 3.37Å; P956-K960 PolarHBondContact O-N 3.31Å; F957-K960 WeakPolarHBondContact O-CB 3.42Å; F957-K960 PolarHBondContact O-N 2.78Å; E958-K960 VanDerWaalsContact C-N 3.35Å; E958-K960 PolarHBondContact O-N 3.25Å; K960-L963 PolarHBondContact O-N 2.98Å; K960-Y964 PolarHBondContact O-N 2.63Å |
| 961 | N | 89.5 | Confident | 86.9 | Confident | 39 Ų | 39 | 26.2 Ų | 26.2 | 21% | 0.209 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.8 | -42.8 | 177.6 | -70.3 | -25.9 | 0 | 0 | 0 | 112.2 | F957 E958 M959 L963 Y964 H965 | F957-N961 WeakPolarHBondContact CD1-ND2 3.21Å; F957-N961 WeakPolarHBondContact CE1-ND2 3.43Å; F957-N961 PolarHBondContact O-N 3.47Å; F957-N961 PolarHBondContact O-ND2 2.9Å; E958-N961 PolarHBondContact O-N 3.2Å; M959-N961 PolarHBondContact O-N 3.18Å; N961-L963 VanDerWaalsContact C-N 3.31Å; N961-L963 PolarHBondContact O-N 3.31Å; N961-Y964 WeakPolarHBondContact O-CB 3.38Å; N961-Y964 PolarHBondContact O-N 2.97Å; N961-H965 PolarHBondContact O-CD2 3.19Å; N961-H965 PolarHBondContact O-N 3.02Å |
| 962 | L | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56 | -49.3 | 174.5 | -172.9 | 50.2 | 0 | 0 | 0 | 110.6 | M932 L936 L951 L954 E958 M959 Y964 H965 I966 F972 I984 | M932-L962 HydrophobicContact CB-CD2 4.04Å; M932-L962 HydrophobicContact CB-CG 4.46Å; M932-L962 HydrophobicContact CE-CB 3.8Å; M932-L962 HydrophobicContact CE-CD2 3.68Å; M932-L962 HydrophobicContact CE-CG 3.66Å; M932-L962 HydrophobicContact CG-CD2 4.32Å; M932-L962 HydrophobicContact CG-CG 4.24Å; L936-L962 HydrophobicContact CD1-CD2 3.87Å; L936-L962 HydrophobicContact CD2-CD2 4.29Å; L936-L962 HydrophobicContact CG-CD2 4.02Å; L951-L962 HydrophobicContact CD1-CD2 3.83Å; L954-L962 HydrophobicContact CD1-CD2 3.85Å; E958-L962 PolarHBondContact O-N 3.1Å; M959-L962 PolarHBondContact O-N 3.45Å; L962-Y964 VanDerWaalsContact C-N 3.32Å; L962-Y964 PolarHBondContact O-N 3.39Å; L962-H965 PolarHBondContact O-N 3.06Å; L962-H965 VanDerWaalsContact O-N 3.12Å; L962-I966 HydrophobicContact CD1-CG1 4.47Å; L962-I966 WeakPolarHBondContact O-CG1 3.46Å; L962-I966 PolarHBondContact O-N 2.76Å; L962-F972 HydrophobicContact CD1-CD2 4.46Å; L962-F972 HydrophobicContact CD1-CE1 3.99Å; L962-F972 HydrophobicContact CD1-CE2 3.73Å; L962-F972 HydrophobicContact CD1-CZ 3.45Å; L962-F972 VanDerWaalsContact CD1-CZ 3.45Å; L962-I984 HydrophobicContact CB-CD1 3.44Å; L962-I984 VanDerWaalsContact CB-CD1 3.44Å; L962-I984 HydrophobicContact CD1-CD1 4.01Å; L962-I984 HydrophobicContact CD2-CD1 4.21Å; L962-I984 HydrophobicContact CG-CD1 4.06Å |
| 963 | L | 91.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 178.7 | -178.8 | 64 | 0 | 0 | 0 | 111.7 | L902 Y905 L906 F909 I928 M932 M959 K960 N961 H965 I966 L967 | L902-L963 HydrophobicContact CD2-CB 4.45Å; L902-L963 HydrophobicContact CD2-CD1 4.5Å; L902-L963 HydrophobicContact CD2-CD2 3.98Å; Y905-L963 HydrophobicContact CD2-CD2 4.48Å; L906-L963 HydrophobicContact CD2-CD1 4.32Å; L906-L963 HydrophobicContact CD2-CD2 4.16Å; L906-L963 HydrophobicContact CG-CD2 4.11Å; F909-L963 HydrophobicContact CD2-CD2 4.2Å; F909-L963 HydrophobicContact CD2-CG 4.47Å; F909-L963 HydrophobicContact CE2-CB 4.29Å; F909-L963 HydrophobicContact CE2-CD2 3.91Å; F909-L963 HydrophobicContact CE2-CG 4.04Å; I928-L963 HydrophobicContact CG2-CD1 3.55Å; M932-L963 HydrophobicContact CE-CB 4.18Å; M932-L963 HydrophobicContact SD-CD1 4.15Å; M959-L963 PolarHBondContact O-N 2.8Å; K960-L963 PolarHBondContact O-N 2.98Å; N961-L963 VanDerWaalsContact C-N 3.31Å; N961-L963 PolarHBondContact O-N 3.31Å; L963-H965 VanDerWaalsContact C-N 3.32Å; L963-H965 PolarHBondContact O-N 3.12Å; L963-I966 PolarHBondContact O-N 3.21Å; L963-L967 HydrophobicContact CD1-CD1 4.17Å; L963-L967 HydrophobicContact CD1-CG 4.2Å; L963-L967 HydrophobicContact CG-CD1 3.97Å; L963-L967 HydrophobicContact CG-CG 4.4Å; L963-L967 WeakPolarHBondContact O-CG 3.33Å; L963-L967 PolarHBondContact O-N 3.19Å |
| 964 | Y | 89.8 | Confident | 84.7 | Confident | 45 Ų | 45 | 27.6 Ų | 27.6 | 18% | 0.176 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -42.8 | 175.4 | -179.7 | -96 | 0 | 0 | 0 | 112.3 | F909 E913 L916 K960 N961 L962 L967 S968 K970 | F909-Y964 HydrophobicContact CD1-CD2 4.19Å; F909-Y964 AromaticContact CE1-CD2 3.83Å; F909-Y964 HydrophobicContact CE1-CD2 3.83Å; F909-Y964 HydrophobicContact CE1-CG 4.45Å; F909-Y964 HydrophobicContact CZ-CD2 4.18Å; F909-Y964 HydrophobicContact CZ-CG 4.42Å; E913-Y964 WeakPolarHBondContact OE1-CE2 3.46Å; E913-Y964 PolarHBondContact OE2-OH 3.06Å; L916-Y964 HydrophobicContact CD1-CD2 3.98Å; L916-Y964 HydrophobicContact CD1-CE2 3.83Å; K960-Y964 PolarHBondContact O-N 2.63Å; N961-Y964 WeakPolarHBondContact O-CB 3.38Å; N961-Y964 PolarHBondContact O-N 2.97Å; L962-Y964 VanDerWaalsContact C-N 3.32Å; L962-Y964 PolarHBondContact O-N 3.39Å; Y964-L967 PolarHBondContact O-N 3.44Å; Y964-S968 VanDerWaalsContact O-CB 3.22Å; Y964-S968 WeakPolarHBondContact O-CB 3.39Å; Y964-S968 PolarHBondContact O-N 3.13Å; Y964-S968 PolarHBondContact O-OG 2.85Å; Y964-K970 PolarHBondContact OH-NZ 3.23Å |
| 965 | H | 86.4 | Confident | 83.8 | Confident | 14 Ų | 14 | 30 Ų | 30 | 7% | 0.065 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 177.9 | -74.5 | -60.1 | 0 | 0 | 0 | 112.6 | N961 L962 L963 S968 G969 K970 F972 | N961-H965 PolarHBondContact O-CD2 3.19Å; N961-H965 PolarHBondContact O-N 3.02Å; L962-H965 PolarHBondContact O-N 3.06Å; L962-H965 VanDerWaalsContact O-N 3.12Å; L963-H965 VanDerWaalsContact C-N 3.32Å; L963-H965 PolarHBondContact O-N 3.12Å; H965-S968 PolarHBondContact O-OG 3.25Å; H965-G969 PolarHBondContact O-N 3.16Å; H965-K970 PolarHBondContact O-N 2.67Å; H965-F972 HydrophobicContact CB-CB 4.24Å; H965-F972 HydrophobicContact CB-CD1 3.68Å; H965-F972 HydrophobicContact CB-CE1 4.36Å; H965-F972 HydrophobicContact CB-CG 4.18Å |
| 966 | I | 86.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -49.6 | 174.5 | -64.4 | -55.2 | 0 | 0 | 0 | 111 | V931 M932 E935 L962 L963 G969 F972 L1026 | V931-I966 HydrophobicContact CG1-CD1 4.25Å; V931-I966 HydrophobicContact CG1-CG2 4.05Å; M932-I966 HydrophobicContact CG-CG1 3.88Å; E935-I966 HydrophobicContact CB-CD1 4.21Å; E935-I966 HydrophobicContact CG-CD1 3.81Å; L962-I966 HydrophobicContact CD1-CG1 4.47Å; L962-I966 WeakPolarHBondContact O-CG1 3.46Å; L962-I966 PolarHBondContact O-N 2.76Å; L963-I966 PolarHBondContact O-N 3.21Å; I966-G969 PolarHBondContact O-N 3Å; I966-F972 HydrophobicContact CD1-CE1 4.25Å; I966-L1026 HydrophobicContact CD1-CD2 4.25Å; I966-L1026 HydrophobicContact CG2-CD2 4.37Å |
| 967 | L | 86.2 | Confident | 80.8 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | -179.6 | -66.8 | 173.6 | 0 | 0 | 0 | 112.2 | L906 F909 F917 M920 L963 Y964 G969 L1030 R1032 | L906-L967 HydrophobicContact CD2-CD1 3.77Å; L906-L967 HydrophobicContact CD2-CD2 4.3Å; F909-L967 HydrophobicContact CD2-CD1 3.94Å; F917-L967 HydrophobicContact CE1-CD1 4.45Å; F917-L967 HydrophobicContact CZ-CD1 4Å; M920-L967 HydrophobicContact CE-CD2 4.42Å; L963-L967 HydrophobicContact CD1-CD1 4.17Å; L963-L967 HydrophobicContact CD1-CG 4.2Å; L963-L967 HydrophobicContact CG-CD1 3.97Å; L963-L967 HydrophobicContact CG-CG 4.4Å; L963-L967 WeakPolarHBondContact O-CG 3.33Å; L963-L967 PolarHBondContact O-N 3.19Å; Y964-L967 PolarHBondContact O-N 3.44Å; L967-G969 VanDerWaalsContact C-N 3.28Å; L967-G969 PolarHBondContact O-N 3.03Å; L967-L1030 HydrophobicContact CD2-CD1 4.36Å; L967-L1030 HydrophobicContact CD2-CD2 4.01Å; L967-R1032 PolarHBondContact O-NH2 3.34Å |
| 968 | S | 83.8 | Confident | 78.4 | Confident | 30 Ų | 30 | 39 Ų | 39 | 21% | 0.21 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.4 | -13.7 | -179.9 | 64 | 0 | 0 | 0 | 0 | 113.9 | Y964 H965 K970 | Y964-S968 VanDerWaalsContact O-CB 3.22Å; Y964-S968 WeakPolarHBondContact O-CB 3.39Å; Y964-S968 PolarHBondContact O-N 3.13Å; Y964-S968 PolarHBondContact O-OG 2.85Å; H965-S968 PolarHBondContact O-OG 3.25Å; S968-K970 PolarHBondContact O-N 3.45Å |
| 969 | G | 74.6 | Confident | 76.3 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 11.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H965 I966 L967 | H965-G969 PolarHBondContact O-N 3.16Å; I966-G969 PolarHBondContact O-N 3Å; L967-G969 VanDerWaalsContact C-N 3.28Å; L967-G969 PolarHBondContact O-N 3.03Å |
| 970 | K | 73.8 | Confident | 74.4 | Confident | 102 Ų | 102 | 50.6 Ų | 50.6 | 44% | 0.443 | 30% | 0.298 | S | S | . | . | trans | -77.1 | 140.4 | 178.3 | -69.6 | 175.7 | -177.7 | 167.1 | 0 | 110.2 | Y964 H965 S968 | Y964-K970 PolarHBondContact OH-NZ 3.23Å; H965-K970 PolarHBondContact O-N 2.67Å; S968-K970 PolarHBondContact O-N 3.45Å | ||
| 971 | E | 71.2 | Confident | 73 | Confident | 111 Ų | 111 | 53.4 Ų | 53.4 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | trans | -68.1 | 144 | 172.2 | -70.5 | 172.1 | -174.2 | 0 | 0 | 111.1 | C987 | E971-C987 HydrophobicContact CB-CB 4.43Å; E971-C987 PolarHBondContact O-N 3.29Å | ||
| 972 | F | 75.7 | Confident | 72.3 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.9 | 179.7 | 65.5 | -88.3 | 0 | 0 | 0 | 109.6 | E935 L962 H965 I966 V974 I984 V985 | E935-F972 HydrophobicContact CB-CZ 4.14Å; L962-F972 HydrophobicContact CD1-CD2 4.46Å; L962-F972 HydrophobicContact CD1-CE1 3.99Å; L962-F972 HydrophobicContact CD1-CE2 3.73Å; L962-F972 HydrophobicContact CD1-CZ 3.45Å; L962-F972 VanDerWaalsContact CD1-CZ 3.45Å; H965-F972 HydrophobicContact CB-CB 4.24Å; H965-F972 HydrophobicContact CB-CD1 3.68Å; H965-F972 HydrophobicContact CB-CE1 4.36Å; H965-F972 HydrophobicContact CB-CG 4.18Å; I966-F972 HydrophobicContact CD1-CE1 4.25Å; F972-V974 HydrophobicContact CD2-CG2 4.03Å; F972-V974 HydrophobicContact CE2-CG2 3.8Å; F972-I984 HydrophobicContact CB-CG2 4.12Å; F972-I984 HydrophobicContact CD2-CG2 3.86Å; F972-I984 HydrophobicContact CG-CG2 4.19Å; F972-V985 WeakPolarHBondContact CA-O 3.07Å |
| 973 | A | 71.6 | Confident | 71.7 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 146.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V985 | A973-V985 PolarHBondContact N-O 3.31Å; A973-V985 PolarHBondContact O-N 3.08Å |
| 974 | V | 74.7 | Confident | 71.1 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.3 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | L936 T939 L940 F972 L982 | L936-V974 HydrophobicContact CD2-CG2 4.08Å; T939-V974 HydrophobicContact CG2-CB 3.89Å; T939-V974 HydrophobicContact CG2-CG2 3.67Å; L940-V974 HydrophobicContact CD2-CB 4.22Å; L940-V974 HydrophobicContact CD2-CG1 3.82Å; F972-V974 HydrophobicContact CD2-CG2 4.03Å; F972-V974 HydrophobicContact CE2-CG2 3.8Å; V974-L982 HydrophobicContact CG1-CB 4.11Å; V974-L982 HydrophobicContact CG1-CD2 3.58Å; V974-L982 HydrophobicContact CG1-CG 4.35Å |
| 975 | S | 70.9 | Confident | 70.2 | Confident | 52 Ų | 52 | 56 Ų | 56 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.6 | 175.9 | 60.5 | 0 | 0 | 0 | 0 | 109.9 | S983 | S975-S983 PolarHBondContact N-O 3.03Å; S975-S983 PolarHBondContact O-N 3.36Å; S975-S983 PolarHBondContact OG-O 3Å |
| 976 | S | 62.4 | Low | 69.3 | Low | 99 Ų | 99 | 58.3 Ų | 58.3 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 123.1 | 173.1 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 977 | V | 55.4 | Low | 68.1 | Low | 76 Ų | 76 | 60.9 Ų | 60.9 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 155.5 | 174.3 | -166 | 0 | 0 | 0 | 0 | 108.5 | R979 G980 N981 | V977-R979 PolarHBondContact O-N 3.39Å; V977-G980 PolarHBondContact O-N 3.49Å; V977-N981 PolarHBondContact N-O 3.05Å |
| 978 | A | 39.4 | Very low | 66.1 | Low | 87 Ų | 87 | 70.6 Ų | 70.6 | 72% | 0.719 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | 137.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 979 | R | 45.8 | Very low | 64.1 | Low | 216 Ų | 216 | 73.6 Ų | 73.6 | 82% | 0.815 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 15.7 | -172.8 | -51.1 | -174.5 | -172.9 | -175.9 | 3.9 | 116.9 | V977 | V977-R979 PolarHBondContact O-N 3.39Š|
| 980 | G | 52.1 | Low | 62.2 | Low | 51 Ų | 51 | 77.5 Ų | 77.5 | 53% | 0.526 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 7.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V977 | V977-G980 PolarHBondContact O-N 3.49Š|
| 981 | N | 61.8 | Low | 60.4 | Low | 73 Ų | 73 | 83.2 Ų | 83.2 | 39% | 0.39 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 135.5 | 172.7 | -70.5 | -5.1 | 0 | 0 | 0 | 109.8 | V977 | V977-N981 PolarHBondContact N-O 3.05Å |
| 982 | L | 74.8 | Confident | 58.5 | Low | 23 Ų | 23 | 84 Ų | 84 | 12% | 0.12 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 137.2 | 178.9 | -62.8 | 160 | 0 | 0 | 0 | 109.2 | L940 H950 L954 V974 | L940-L982 HydrophobicContact CD1-CD1 4.09Å; L940-L982 HydrophobicContact CD1-CD2 4.12Å; L940-L982 HydrophobicContact CD2-CD2 4.01Å; H950-L982 HydrophobicContact CB-CD1 3.65Å; L954-L982 HydrophobicContact CD2-CB 3.77Å; L954-L982 HydrophobicContact CD2-CD1 4.05Å; V974-L982 HydrophobicContact CG1-CB 4.11Å; V974-L982 HydrophobicContact CG1-CD2 3.58Å; V974-L982 HydrophobicContact CG1-CG 4.35Å |
| 983 | S | 77.8 | Confident | 56.3 | Low | 30 Ų | 30 | 88 Ų | 88 | 21% | 0.21 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.2 | 170.2 | -173 | 0 | 0 | 0 | 0 | 111.4 | E958 S975 | E958-S983 WeakPolarHBondContact OE1-CA 3.34Å; E958-S983 WeakPolarHBondContact OE1-CB 3.14Å; E958-S983 PolarHBondContact OE1-OG 3.26Å; S975-S983 PolarHBondContact N-O 3.03Å; S975-S983 PolarHBondContact O-N 3.36Å; S975-S983 PolarHBondContact OG-O 3Å |
| 984 | I | 77.4 | Confident | 54.5 | Low | 10 Ų | 10 | 95.7 Ų | 95.7 | 5% | 0.051 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 115.8 | -172.9 | -59.5 | 176.9 | 0 | 0 | 0 | 108.6 | L954 E958 L962 F972 | L954-I984 HydrophobicContact CD1-CD1 4.13Å; E958-I984 WeakPolarHBondContact O-CD1 3.5Å; E958-I984 WeakPolarHBondContact OE2-CB 3.06Å; E958-I984 PolarHBondContact OE2-N 2.99Å; L962-I984 HydrophobicContact CB-CD1 3.44Å; L962-I984 VanDerWaalsContact CB-CD1 3.44Å; L962-I984 HydrophobicContact CD1-CD1 4.01Å; L962-I984 HydrophobicContact CD2-CD1 4.21Å; L962-I984 HydrophobicContact CG-CD1 4.06Å; F972-I984 HydrophobicContact CB-CG2 4.12Å; F972-I984 HydrophobicContact CD2-CG2 3.86Å; F972-I984 HydrophobicContact CG-CG2 4.19Å |
| 985 | V | 72.5 | Confident | 52.6 | Low | 75 Ų | 75 | 103.4 Ų | 103.4 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.7 | -174.6 | -173 | 0 | 0 | 0 | 0 | 109.8 | F972 A973 C987 | F972-V985 WeakPolarHBondContact CA-O 3.07Å; A973-V985 PolarHBondContact N-O 3.31Å; A973-V985 PolarHBondContact O-N 3.08Å; V985-C987 PolarHBondContact O-N 2.93Å |
| 986 | S | 67.3 | Low | 50.9 | Low | 62 Ų | 62 | 105.8 Ų | 105.8 | 43% | 0.434 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.5 | 128.8 | 174.4 | -167.9 | 0 | 0 | 0 | 0 | 111 | K988 | S986-K988 PolarHBondContact O-N 3.48Å |
| 987 | C | 60.8 | Low | 49.2 | Very low | 56 Ų | 56 | 110.3 Ų | 110.3 | 38% | 0.378 | 60% | 0.599 | S | S | . | * | trans | -73.3 | 124.4 | 167.3 | -63.6 | 0 | 0 | 0 | 0 | 108.7 | E971 V985 S989 | E971-C987 HydrophobicContact CB-CB 4.43Å; E971-C987 PolarHBondContact O-N 3.29Å; V985-C987 PolarHBondContact O-N 2.93Å; C987-S989 PolarHBondContact O-N 3.41Å; C987-S989 VanDerWaalsContact O-N 3.14Å | ||
| 988 | K | 44.9 | Very low | 48.3 | Very low | 205 Ų | 205 | 115.2 Ų | 115.2 | 89% | 0.891 | 62% | 0.621 | S | S | * | * | trans | -71.5 | 107.7 | 168.8 | -74.3 | -175.8 | -180 | 176.9 | 0 | 107.6 | S986 S990 | S986-K988 PolarHBondContact O-N 3.48Å; K988-S990 PolarHBondContact O-N 3.37Å; K988-S990 VanDerWaalsContact O-N 3.13Å | ||
| 989 | S | 42 | Very low | 47.8 | Very low | 93 Ų | 93 | 114.4 Ų | 114.4 | 65% | 0.65 | 62% | 0.621 | S | S | * | * | trans | -59.2 | 117 | 172.4 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | C987 R991 | C987-S989 PolarHBondContact O-N 3.41Å; C987-S989 VanDerWaalsContact O-N 3.14Å; S989-R991 PolarHBondContact O-N 3.24Å | ||
| 990 | S | 33 | Very low | 47.4 | Very low | 121 Ų | 121 | 113.1 Ų | 113.1 | 85% | 0.846 | 63% | 0.629 | S | S | * | * | trans | -73 | 44.6 | 172.4 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | K988 V992 | K988-S990 PolarHBondContact O-N 3.37Å; K988-S990 VanDerWaalsContact O-N 3.13Å; S990-V992 PolarHBondContact O-N 3.38Å | ||
| 991 | R | 38 | Very low | 46.3 | Very low | 221 Ų | 221 | 114.2 Ų | 114.2 | 83% | 0.834 | 64% | 0.641 | S | S | * | * | trans | -88 | 83.6 | 173.4 | -84.5 | -176.4 | 151.1 | -174.2 | -4.8 | 110.3 | S989 S993 | S989-R991 PolarHBondContact O-N 3.24Å; R991-S993 PolarHBondContact O-N 3.46Å | ||
| 992 | V | 30.9 | Very low | 44.7 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 78% | 0.776 | 66% | 0.663 | S | S | * | * | trans | -64.8 | 109.7 | 154.5 | 176.9 | 0 | 0 | 0 | 0 | 107.2 | S990 K994 | S990-V992 PolarHBondContact O-N 3.38Å; V992-K994 PolarHBondContact O-N 3.47Å; V992-K994 VanDerWaalsContact O-N 3.12Å | ||
| 993 | S | 28.8 | Very low | 42.9 | Very low | 97 Ų | 97 | 123 Ų | 123 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | trans | -55.3 | 112.7 | 163.7 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | R991 K995 | R991-S993 PolarHBondContact O-N 3.46Å; S993-K995 PolarHBondContact O-N 2.94Å | ||
| 994 | K | 33.4 | Very low | 40.7 | Very low | 207 Ų | 207 | 130.4 Ų | 130.4 | 90% | 0.9 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -69.3 | 74.5 | 172 | -80.4 | -174.1 | 176.9 | 178.7 | 0 | 109.6 | V992 | V992-K994 PolarHBondContact O-N 3.47Å; V992-K994 VanDerWaalsContact O-N 3.12Å |
| 995 | K | 34.3 | Very low | 38.6 | Very low | 190 Ų | 190 | 132.3 Ų | 132.3 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -155.7 | 46.6 | 160.4 | -133.1 | -177.9 | -172.1 | -178.3 | 0 | 113.3 | S993 | S993-K995 PolarHBondContact O-N 2.94Š|
| 996 | S | 36.5 | Very low | 36.8 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 174.9 | 105.5 | 153.7 | 50.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 997 | Q | 26.6 | Very low | 35.1 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | trans | 165.5 | 122.4 | 130.1 | -97.2 | 174.7 | -23.5 | 0 | 0 | 110.3 | ||||
| 998 | I | 36.6 | Very low | 33.8 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 92% | 0.918 | 78% | 0.784 | S | S | * | * | trans | -73.1 | 121.9 | 159.2 | -65.2 | 162.4 | 0 | 0 | 0 | 105.7 | ||||
| 999 | G | 29.3 | Very low | 33.2 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -172.2 | 112.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1000 | L | 37 | Very low | 32.8 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 99% | 0.99 | 77% | 0.768 | S | S | * | * | trans | -64 | 129.3 | 177 | -77.3 | 126.7 | 0 | 0 | 0 | 111.2 | ||||
| 1001 | G | 28.2 | Very low | 32.8 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -167 | 133.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1002 | D | 29.7 | Very low | 32.7 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | trans | -56.6 | 159.2 | -165.3 | -93.8 | -36.5 | 0 | 0 | 0 | 116.9 | E1004 | D1002-E1004 PolarHBondContact O-N 3.25Š| ||
| 1003 | P | 36.8 | Very low | 33 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -78.8 | 113.6 | -178.5 | 31.3 | -30 | 0 | 0 | 0 | 111.4 | ||||
| 1004 | E | 31.7 | Very low | 33.5 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | -76.6 | 125.1 | 166 | -74.1 | -174.6 | 162.2 | 0 | 0 | 110.9 | D1002 | D1002-E1004 PolarHBondContact O-N 3.25Š| ||
| 1005 | G | 31.6 | Very low | 34.2 | Very low | 51 Ų | 51 | 126.2 Ų | 126.2 | 53% | 0.526 | 72% | 0.724 | S | S | . | * | trans | 7.6 | 134.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 122 | D1007 A1008 | G1005-D1007 PolarHBondContact O-N 2.89Å; G1005-A1008 PolarHBondContact O-N 3.43Å | ||
| 1006 | E | 34.8 | Very low | 35.2 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -16.8 | 169 | -72.7 | 179.6 | 146.2 | 0 | 0 | 114.6 | A1008 L1009 | E1006-A1008 PolarHBondContact O-N 3.32Å; E1006-L1009 PolarHBondContact O-N 2.89Å |
| 1007 | D | 32.3 | Very low | 36.5 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -72.1 | -22.9 | 176.9 | -76.5 | -29 | 0 | 0 | 0 | 114.2 | G1005 L1009 | G1005-D1007 PolarHBondContact O-N 2.89Å; D1007-L1009 VanDerWaalsContact C-N 3.33Å |
| 1008 | A | 34.3 | Very low | 38.7 | Very low | 60 Ų | 60 | 119.2 Ų | 119.2 | 50% | 0.496 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -77.7 | -19.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | G1005 E1006 T1012 | G1005-A1008 PolarHBondContact O-N 3.43Å; E1006-A1008 PolarHBondContact O-N 3.32Å; A1008-T1012 WeakPolarHBondContact O-CG2 3.37Å; A1008-T1012 PolarHBondContact O-OG1 3.42Å |
| 1009 | L | 31.7 | Very low | 40.9 | Very low | 113 Ų | 113 | 115 Ų | 115 | 59% | 0.592 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78.5 | -28 | 177.4 | -86.2 | 153.2 | 0 | 0 | 0 | 112.4 | E1006 D1007 T1012 I1013 | E1006-L1009 PolarHBondContact O-N 2.89Å; D1007-L1009 VanDerWaalsContact C-N 3.33Å; L1009-T1012 WeakPolarHBondContact CA-OG1 3.45Å; L1009-T1012 PolarHBondContact O-OG1 3Å; L1009-T1012 VanDerWaalsContact O-OG1 3.13Å; L1009-I1013 VanDerWaalsContact O-CD1 3.26Å; L1009-I1013 WeakPolarHBondContact O-CD1 3.48Å; L1009-I1013 VanDerWaalsContact O-CG1 3.27Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.48Å |
| 1010 | I | 34.1 | Very low | 43.6 | Very low | 119 Ų | 119 | 115.3 Ų | 115.3 | 61% | 0.61 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -80.4 | -38.4 | 180 | -58.6 | 176.9 | 0 | 0 | 0 | 110.7 | T1012 I1013 | I1010-T1012 VanDerWaalsContact C-N 3.26Å; I1010-T1012 PolarHBondContact O-N 2.97Å; I1010-I1013 PolarHBondContact O-N 2.74Å |
| 1011 | A | 33.2 | Very low | 45.8 | Very low | 70 Ų | 70 | 106.8 Ų | 106.8 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.8 | -20.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1012 | T | 35.7 | Very low | 48.5 | Very low | 72 Ų | 72 | 105.1 Ų | 105.1 | 44% | 0.442 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -91 | -8.3 | 179.2 | 47.4 | 0 | 0 | 0 | 0 | 114.3 | A1008 L1009 I1010 | A1008-T1012 WeakPolarHBondContact O-CG2 3.37Å; A1008-T1012 PolarHBondContact O-OG1 3.42Å; L1009-T1012 WeakPolarHBondContact CA-OG1 3.45Å; L1009-T1012 PolarHBondContact O-OG1 3Å; L1009-T1012 VanDerWaalsContact O-OG1 3.13Å; I1010-T1012 VanDerWaalsContact C-N 3.26Å; I1010-T1012 PolarHBondContact O-N 2.97Å |
| 1013 | I | 35.8 | Very low | 51.1 | Low | 123 Ų | 123 | 104.1 Ų | 104.1 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -91.9 | -36.3 | 177.6 | -66.4 | 166.9 | 0 | 0 | 0 | 110.9 | L1009 I1010 D1015 | L1009-I1013 VanDerWaalsContact O-CD1 3.26Å; L1009-I1013 WeakPolarHBondContact O-CD1 3.48Å; L1009-I1013 VanDerWaalsContact O-CG1 3.27Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.48Å; I1010-I1013 PolarHBondContact O-N 2.74Å; I1013-D1015 VanDerWaalsContact C-N 3.27Å; I1013-D1015 PolarHBondContact O-N 3.27Å |
| 1014 | D | 39 | Very low | 53.6 | Low | 129 Ų | 129 | 98.8 Ų | 98.8 | 69% | 0.69 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.7 | -24.4 | 178 | -130.4 | 6.7 | 0 | 0 | 0 | 112.6 | R1016 | D1014-R1016 PolarHBondContact O-N 2.94Å |
| 1015 | D | 49.5 | Very low | 56.1 | Low | 144 Ų | 144 | 94.5 Ų | 94.5 | 77% | 0.77 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 2.2 | -177 | -134.7 | 11.5 | 0 | 0 | 0 | 114 | I1013 | I1013-D1015 VanDerWaalsContact C-N 3.27Å; I1013-D1015 PolarHBondContact O-N 3.27Å |
| 1016 | R | 54.8 | Low | 58.6 | Low | 174 Ų | 174 | 92.5 Ų | 92.5 | 66% | 0.657 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -14.7 | -178.2 | -64.8 | -174.1 | -174.5 | -174.1 | 3 | 114.4 | D1014 Q1019 | D1014-R1016 PolarHBondContact O-N 2.94Å; R1016-Q1019 WeakPolarHBondContact O-CB 3.27Å; R1016-Q1019 PolarHBondContact O-N 2.8Å |
| 1017 | Q | 63.3 | Low | 61.1 | Low | 136 Ų | 136 | 85.5 Ų | 85.5 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 130 | -178.7 | -164.6 | 171.5 | 9.9 | 0 | 0 | 110.2 | ||
| 1018 | G | 74.3 | Confident | 63.7 | Low | 28 Ų | 28 | 79 Ų | 79 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -2.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1022 D1175 | G1018-R1022 WeakPolarHBondContact O-CB 3.44Å; G1018-R1022 PolarHBondContact O-N 3.19Å; G1018-D1175 VanDerWaalsContact CA-CG 3.48Å; G1018-D1175 WeakPolarHBondContact CA-OD1 3.31Å; G1018-D1175 WeakPolarHBondContact CA-OD2 3.24Å; G1018-D1175 VanDerWaalsContact N-CG 3.26Å; G1018-D1175 PolarHBondContact N-OD1 3.36Å; G1018-D1175 PolarHBondContact N-OD2 3.36Å |
| 1019 | Q | 81 | Confident | 66 | Low | 90 Ų | 90 | 76.2 Ų | 76.2 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | -175.9 | -174 | 176.5 | 51.4 | 0 | 0 | 112.3 | R1016 R1023 D1175 | R1016-Q1019 WeakPolarHBondContact O-CB 3.27Å; R1016-Q1019 PolarHBondContact O-N 2.8Å; Q1019-R1023 WeakPolarHBondContact O-CB 3.22Å; Q1019-R1023 PolarHBondContact O-N 3.33Å; Q1019-D1175 PolarHBondContact N-OD1 3.12Å |
| 1020 | W | 86.1 | Confident | 68.5 | Low | 78 Ų | 78 | 71.2 Ų | 71.2 | 30% | 0.295 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -77.2 | -37.9 | -179.3 | -71.8 | 109.8 | 0 | 0 | 0 | 111.5 | R1022 R1023 R1024 Y1174 D1175 A1177 P1178 | W1020-R1022 VanDerWaalsContact C-N 3.32Å; W1020-R1022 PolarHBondContact O-N 2.88Å; W1020-R1023 PolarHBondContact O-N 3.4Å; W1020-R1024 WeakPolarHBondContact O-CG 3.33Å; W1020-R1024 PolarHBondContact O-N 3.35Å; W1020-Y1174 CarbonylContact C-O 3.59Å; W1020-D1175 PolarHBondContact N-OD1 3.24Å; W1020-D1175 VanDerWaalsContact N-OD1 3.15Å; W1020-A1177 HydrophobicContact CD2-CB 4.4Å; W1020-A1177 HydrophobicContact CZ2-CB 3.86Å; W1020-P1178 HydrophobicContact CE3-CG 4.23Å; W1020-P1178 HydrophobicContact CH2-CG 4.34Å; W1020-P1178 HydrophobicContact CZ3-CG 3.87Å |
| 1021 | L | 85 | Confident | 71 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 172.4 | 172 | 61.7 | 0 | 0 | 0 | 110.6 | R1023 R1024 R1025 E1088 Q1171 Y1174 D1175 | L1021-R1023 PolarHBondContact O-N 2.79Å; L1021-R1024 PolarHBondContact O-N 2.85Å; L1021-R1025 HydrophobicContact CD1-CG 4.39Å; L1021-R1025 WeakPolarHBondContact O-CG 3.3Å; L1021-R1025 PolarHBondContact O-N 2.87Å; L1021-E1088 HydrophobicContact CD1-CB 4.08Å; L1021-E1088 HydrophobicContact CD1-CG 4.28Å; L1021-Q1171 HydrophobicContact CD2-CG 3.88Å; L1021-Y1174 VanDerWaalsContact CA-O 3.3Å; L1021-Y1174 WeakPolarHBondContact CA-O 3.42Å; L1021-Y1174 HydrophobicContact CD1-CG 4.25Å; L1021-Y1174 PolarHBondContact N-O 3.07Å; L1021-D1175 HydrophobicContact CB-CB 4.14Å; L1021-D1175 PolarHBondContact N-OD1 2.66Å; L1021-D1175 VanDerWaalsContact N-OD1 3.1Å |
| 1022 | R | 83.3 | Confident | 73.6 | Confident | 40 Ų | 40 | 65.1 Ų | 65.1 | 15% | 0.151 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.6 | -48.7 | 174.6 | -179.1 | 179 | -178.3 | -91.2 | -1.4 | 111.3 | E935 G1018 W1020 R1024 R1025 L1026 | E935-R1022 VanDerWaalsContact CD-NE 3.28Å; E935-R1022 IonicContact OE1-CZ 3.87Å; E935-R1022 IonicContact OE1-NE 2.64Å; E935-R1022 PolarHBondContact OE1-NE 3.41Å; E935-R1022 IonicContact OE1-NH2 3.37Å; E935-R1022 IonicContact OE2-CZ 2.82Å; E935-R1022 VanDerWaalsContact OE2-CZ 3.28Å; E935-R1022 IonicContact OE2-NE 2.89Å; E935-R1022 PolarHBondContact OE2-NE 3.2Å; E935-R1022 IonicContact OE2-NH2 3.06Å; E935-R1022 PolarHBondContact OE2-NH2 3.44Å; G1018-R1022 WeakPolarHBondContact O-CB 3.44Å; G1018-R1022 PolarHBondContact O-N 3.19Å; W1020-R1022 VanDerWaalsContact C-N 3.32Å; W1020-R1022 PolarHBondContact O-N 2.88Å; R1022-R1024 PolarHBondContact O-N 3.36Å; R1022-R1025 WeakPolarHBondContact O-CB 3.48Å; R1022-R1025 PolarHBondContact O-N 3.21Å; R1022-L1026 HydrophobicContact CG-CD1 4.37Å; R1022-L1026 WeakPolarHBondContact O-CG 3.37Å; R1022-L1026 PolarHBondContact O-N 3.47Å |
| 1023 | R | 84.9 | Confident | 76.2 | Confident | 139 Ų | 139 | 62.2 Ų | 62.2 | 53% | 0.525 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 179 | -175.3 | 170.7 | -173.6 | 163.4 | 3.4 | 112.2 | Q1019 W1020 L1021 R1025 L1026 D1027 | Q1019-R1023 WeakPolarHBondContact O-CB 3.22Å; Q1019-R1023 PolarHBondContact O-N 3.33Å; W1020-R1023 PolarHBondContact O-N 3.4Å; L1021-R1023 PolarHBondContact O-N 2.79Å; R1023-R1025 VanDerWaalsContact C-N 3.33Å; R1023-R1025 PolarHBondContact O-N 3.04Å; R1023-L1026 PolarHBondContact O-N 3.31Å; R1023-D1027 WeakPolarHBondContact CG-OD2 3.39Å; R1023-D1027 IonicContact NE-OD2 3.28Å; R1023-D1027 PolarHBondContact NE-OD2 3.46Å; R1023-D1027 WeakPolarHBondContact O-CB 3.23Å; R1023-D1027 PolarHBondContact O-N 3.26Å |
| 1024 | R | 88.8 | Confident | 78.7 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 176.6 | -72.8 | -173.7 | 179.3 | 100.8 | 1.8 | 112.5 | W1020 L1021 R1022 G1028 E1088 Q1091 E1095 Y1174 S1176 T1184 | W1020-R1024 WeakPolarHBondContact O-CG 3.33Å; W1020-R1024 PolarHBondContact O-N 3.35Å; L1021-R1024 PolarHBondContact O-N 2.85Å; R1022-R1024 PolarHBondContact O-N 3.36Å; R1024-G1028 VanDerWaalsContact O-CA 3.3Å; R1024-G1028 WeakPolarHBondContact O-CA 3.45Å; R1024-G1028 PolarHBondContact O-N 3.14Å; R1024-E1088 HydrophobicContact CB-CB 4.31Å; R1024-Q1091 HydrophobicContact CB-CB 4.05Å; R1024-Q1091 HydrophobicContact CB-CG 4.35Å; R1024-Q1091 HydrophobicContact CG-CB 4.04Å; R1024-Q1091 WeakPolarHBondContact O-CG 3.41Å; R1024-E1095 IonicContact CZ-OE1 2.8Å; R1024-E1095 IonicContact NE-OE1 2.97Å; R1024-E1095 PolarHBondContact NE-OE1 2.96Å; R1024-E1095 IonicContact NH2-OE1 3.72Å; R1024-E1095 PolarHBondContact NH2-OE1 3.18Å; R1024-E1095 IonicContact NH2-OE2 3.7Å; R1024-Y1174 VanDerWaalsContact NH1-C 3.33Å; R1024-Y1174 PolarHBondContact NH1-O 3.25Å; R1024-S1176 PolarHBondContact NH1-O 3.48Å; R1024-S1176 PolarHBondContact NH2-O 3.04Å; R1024-T1184 VanDerWaalsContact NH2-CG2 3.31Å; R1024-T1184 PolarHBondContact NH2-OG1 3.46Å |
| 1025 | R | 84.8 | Confident | 80.9 | Confident | 95 Ų | 95 | 61.4 Ų | 61.4 | 36% | 0.358 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 173.3 | -76.4 | 178.5 | 170.8 | 172.2 | -0.9 | 112.2 | L1021 R1022 R1023 A1029 P1087 E1088 | L1021-R1025 HydrophobicContact CD1-CG 4.39Å; L1021-R1025 WeakPolarHBondContact O-CG 3.3Å; L1021-R1025 PolarHBondContact O-N 2.87Å; R1022-R1025 WeakPolarHBondContact O-CB 3.48Å; R1022-R1025 PolarHBondContact O-N 3.21Å; R1023-R1025 VanDerWaalsContact C-N 3.33Å; R1023-R1025 PolarHBondContact O-N 3.04Å; R1025-A1029 VanDerWaalsContact O-CB 3.23Å; R1025-A1029 WeakPolarHBondContact O-CB 3.42Å; R1025-A1029 PolarHBondContact O-N 2.92Å; R1025-P1087 WeakPolarHBondContact O-CB 3.4Å; R1025-E1088 HydrophobicContact CG-CB 4.1Å; R1025-E1088 WeakPolarHBondContact CG-OE2 3.46Å; R1025-E1088 IonicContact CZ-OE1 2.71Å; R1025-E1088 IonicContact NE-OE1 2.81Å; R1025-E1088 PolarHBondContact NE-OE1 3.41Å; R1025-E1088 IonicContact NE-OE2 3.36Å; R1025-E1088 IonicContact NH2-OE1 3.73Å; R1025-E1088 PolarHBondContact NH2-OE1 3.43Å |
| 1026 | L | 84.3 | Confident | 82.8 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -56.2 | 177.6 | -67.2 | 178.6 | 0 | 0 | 0 | 111.6 | V931 E935 I966 R1022 R1023 G1028 A1029 L1030 | V931-L1026 HydrophobicContact CG1-CD2 3.34Å; E935-L1026 HydrophobicContact CG-CD2 4.48Å; I966-L1026 HydrophobicContact CD1-CD2 4.25Å; I966-L1026 HydrophobicContact CG2-CD2 4.37Å; R1022-L1026 HydrophobicContact CG-CD1 4.37Å; R1022-L1026 WeakPolarHBondContact O-CG 3.37Å; R1022-L1026 PolarHBondContact O-N 3.47Å; R1023-L1026 PolarHBondContact O-N 3.31Å; L1026-G1028 VanDerWaalsContact C-N 3.27Å; L1026-G1028 PolarHBondContact O-N 2.86Å; L1026-A1029 PolarHBondContact O-N 3.05Å; L1026-L1030 WeakPolarHBondContact O-CB 3.49Å; L1026-L1030 VanDerWaalsContact O-CG 3.3Å; L1026-L1030 WeakPolarHBondContact O-CG 3.33Å; L1026-L1030 PolarHBondContact O-N 3.13Å |
| 1027 | D | 87.3 | Confident | 84.5 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -35.1 | -178.2 | -71.6 | -27.9 | 0 | 0 | 0 | 110.5 | R1023 N1031 R1032 Q1091 | R1023-D1027 WeakPolarHBondContact CG-OD2 3.39Å; R1023-D1027 IonicContact NE-OD2 3.28Å; R1023-D1027 PolarHBondContact NE-OD2 3.46Å; R1023-D1027 WeakPolarHBondContact O-CB 3.23Å; R1023-D1027 PolarHBondContact O-N 3.26Å; D1027-N1031 CarbonylContact O-C 3.53Å; D1027-N1031 WeakPolarHBondContact O-CA 3.41Å; D1027-N1031 PolarHBondContact O-N 3.21Å; D1027-R1032 HydrophobicContact CB-CB 4.18Å; D1027-R1032 PolarHBondContact O-N 3.48Å; D1027-R1032 WeakPolarHBondContact OD1-CD 3.46Å; D1027-R1032 IonicContact OD1-CZ 2.66Å; D1027-R1032 IonicContact OD1-NE 3.7Å; D1027-R1032 IonicContact OD1-NH1 3.77Å; D1027-R1032 PolarHBondContact OD1-NH1 2.91Å; D1027-Q1091 HydrophobicContact CB-CG 4.34Å; D1027-Q1091 PolarHBondContact O-NE2 3.16Å |
| 1028 | G | 87.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -50.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1024 L1026 L1030 N1031 P1087 R1090 | R1024-G1028 VanDerWaalsContact O-CA 3.3Å; R1024-G1028 WeakPolarHBondContact O-CA 3.45Å; R1024-G1028 PolarHBondContact O-N 3.14Å; L1026-G1028 VanDerWaalsContact C-N 3.27Å; L1026-G1028 PolarHBondContact O-N 2.86Å; G1028-L1030 VanDerWaalsContact C-N 3.27Å; G1028-L1030 PolarHBondContact O-N 2.91Å; G1028-N1031 PolarHBondContact O-N 3.38Å; G1028-N1031 PolarHBondContact O-OD1 3.03Å; G1028-N1031 VanDerWaalsContact O-OD1 3.08Å; G1028-P1087 WeakPolarHBondContact CA-O 3.41Å; G1028-R1090 PolarHBondContact O-NH1 3.15Å |
| 1029 | A | 82.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.9 | -32.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | V931 R1025 L1026 N1031 P1087 | V931-A1029 HydrophobicContact CG2-CB 3.43Å; V931-A1029 VanDerWaalsContact CG2-CB 3.43Å; R1025-A1029 VanDerWaalsContact O-CB 3.23Å; R1025-A1029 WeakPolarHBondContact O-CB 3.42Å; R1025-A1029 PolarHBondContact O-N 2.92Å; L1026-A1029 PolarHBondContact O-N 3.05Å; A1029-N1031 VanDerWaalsContact C-N 3.3Å; A1029-P1087 HydrophobicContact CB-CB 4.24Å; A1029-P1087 HydrophobicContact CB-CG 4.14Å |
| 1030 | L | 84.1 | Confident | 87.3 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.7 | 174.3 | -64.8 | 178.1 | 0 | 0 | 0 | 113.5 | M920 I928 L967 L1026 G1028 R1032 | M920-L1030 HydrophobicContact CE-CB 3.87Å; M920-L1030 HydrophobicContact CE-CD2 4.01Å; M920-L1030 HydrophobicContact CE-CG 4.37Å; M920-L1030 HydrophobicContact SD-CB 4.38Å; I928-L1030 HydrophobicContact CD1-CD2 4.1Å; I928-L1030 HydrophobicContact CG1-CD2 3.77Å; L967-L1030 HydrophobicContact CD2-CD1 4.36Å; L967-L1030 HydrophobicContact CD2-CD2 4.01Å; L1026-L1030 WeakPolarHBondContact O-CB 3.49Å; L1026-L1030 VanDerWaalsContact O-CG 3.3Å; L1026-L1030 WeakPolarHBondContact O-CG 3.33Å; L1026-L1030 PolarHBondContact O-N 3.13Å; G1028-L1030 VanDerWaalsContact C-N 3.27Å; G1028-L1030 PolarHBondContact O-N 2.91Å; L1030-R1032 PolarHBondContact O-N 3.03Å |
| 1031 | N | 85.9 | Confident | 87.7 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.032 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 37.3 | -171.8 | -70.9 | -23.5 | 0 | 0 | 0 | 113.7 | D1027 G1028 A1029 V1033 N1082 R1090 | D1027-N1031 CarbonylContact O-C 3.53Å; D1027-N1031 WeakPolarHBondContact O-CA 3.41Å; D1027-N1031 PolarHBondContact O-N 3.21Å; G1028-N1031 PolarHBondContact O-N 3.38Å; G1028-N1031 PolarHBondContact O-OD1 3.03Å; G1028-N1031 VanDerWaalsContact O-OD1 3.08Å; A1029-N1031 VanDerWaalsContact C-N 3.3Å; N1031-V1033 PolarHBondContact O-N 2.97Å; N1031-N1082 PolarHBondContact ND2-OD1 3.28Å; N1031-R1090 WeakPolarHBondContact OD1-CD 3.3Å; N1031-R1090 PolarHBondContact OD1-NH1 3.3Å |
| 1032 | R | 88.1 | Confident | 88.1 | Confident | 56 Ų | 56 | 41.2 Ų | 41.2 | 21% | 0.211 | 18% | 0.181 | C | C | . | . | trans | -75.7 | 123.9 | 177.8 | -172.5 | 177.7 | -69.6 | 155.3 | -10.2 | 109.5 | L916 M920 L967 D1027 L1030 Q1091 | L916-R1032 PolarHBondContact O-NH2 3.37Å; M920-R1032 HydrophobicContact CG-CB 4.28Å; L967-R1032 PolarHBondContact O-NH2 3.34Å; D1027-R1032 HydrophobicContact CB-CB 4.18Å; D1027-R1032 PolarHBondContact O-N 3.48Å; D1027-R1032 WeakPolarHBondContact OD1-CD 3.46Å; D1027-R1032 IonicContact OD1-CZ 2.66Å; D1027-R1032 IonicContact OD1-NE 3.7Å; D1027-R1032 IonicContact OD1-NH1 3.77Å; D1027-R1032 PolarHBondContact OD1-NH1 2.91Å; L1030-R1032 PolarHBondContact O-N 3.03Å; R1032-Q1091 PolarHBondContact O-NE2 3.31Å | ||
| 1033 | V | 90.2 | Very high | 88.5 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | trans | -115.1 | 163.8 | 177.5 | -62 | 0 | 0 | 0 | 0 | 111.6 | E919 N1031 F1037 Y1038 V1094 | E919-V1033 HydrophobicContact CB-CG2 3.99Å; E919-V1033 WeakPolarHBondContact CB-O 3.49Å; E919-V1033 WeakPolarHBondContact CG-O 3.35Å; E919-V1033 PolarHBondContact O-N 2.92Å; N1031-V1033 PolarHBondContact O-N 2.97Å; V1033-F1037 HydrophobicContact CB-CB 3.9Å; V1033-F1037 HydrophobicContact CB-CD1 3.78Å; V1033-F1037 HydrophobicContact CB-CD2 4.45Å; V1033-F1037 HydrophobicContact CB-CE1 4.41Å; V1033-F1037 HydrophobicContact CB-CG 3.79Å; V1033-F1037 HydrophobicContact CG1-CD1 3.88Å; V1033-F1037 HydrophobicContact CG1-CE1 4.04Å; V1033-F1037 HydrophobicContact CG1-CG 4.29Å; V1033-F1037 HydrophobicContact CG2-CB 3.75Å; V1033-F1037 HydrophobicContact CG2-CD1 3.76Å; V1033-F1037 HydrophobicContact CG2-CG 3.97Å; V1033-Y1038 HydrophobicContact CG2-CD2 4.38Å; V1033-Y1038 HydrophobicContact CG2-CE2 3.65Å; V1033-V1094 HydrophobicContact CB-CG1 4.45Å; V1033-V1094 HydrophobicContact CG1-CG1 4.19Å; V1033-V1094 HydrophobicContact CG1-CG2 4.05Å | ||
| 1034 | P | 89.1 | Confident | 88.9 | Confident | 53 Ų | 53 | 35 Ų | 35 | 34% | 0.344 | 16% | 0.162 | S | C | . | . | trans | -61.5 | 159.6 | 172.5 | -25 | 36.6 | 0 | 0 | 0 | 113 | F1037 V1094 M1098 | P1034-F1037 WeakPolarHBondContact O-CB 3.43Å; P1034-F1037 PolarHBondContact O-N 3.33Å; P1034-V1094 HydrophobicContact CG-CG1 4.46Å; P1034-M1098 HydrophobicContact CB-CE 4.3Å; P1034-M1098 HydrophobicContact CB-SD 4.12Å; P1034-M1098 HydrophobicContact CG-CG 3.99Å; P1034-M1098 HydrophobicContact CG-SD 4.02Å | ||
| 1035 | R | 86.3 | Confident | 89.1 | Confident | 182 Ų | 182 | 34.6 Ų | 34.6 | 69% | 0.687 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 140.8 | 175.8 | -69.3 | -176.3 | -179.2 | -177.4 | -1.8 | 111.5 | E919 F1037 | E919-R1035 HydrophobicContact CG-CG 4.34Å; R1035-F1037 PolarHBondContact O-N 2.87Å; R1035-F1037 VanDerWaalsContact O-N 3.15Å |
| 1036 | D | 87.6 | Confident | 89.4 | Confident | 95 Ų | 95 | 33.1 Ų | 33.1 | 51% | 0.508 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 16.7 | -178.3 | -49.8 | -52.7 | 0 | 0 | 0 | 113.4 | Y1038 S1039 R1040 | D1036-Y1038 VanDerWaalsContact C-N 3.33Å; D1036-Y1038 PolarHBondContact O-N 2.84Å; D1036-S1039 PolarHBondContact O-N 3.2Å; D1036-S1039 PolarHBondContact O-OG 3.29Å; D1036-R1040 HydrophobicContact CB-CG 4.49Å; D1036-R1040 WeakPolarHBondContact O-CB 3.42Å; D1036-R1040 WeakPolarHBondContact O-CG 3.35Å; D1036-R1040 PolarHBondContact O-N 3.42Å |
| 1037 | F | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54 | -49.8 | -177.6 | 168.7 | -101.4 | 0 | 0 | 0 | 111.8 | V1033 P1034 R1035 R1040 V1041 V1077 L1081 V1094 L1097 M1098 | V1033-F1037 HydrophobicContact CB-CB 3.9Å; V1033-F1037 HydrophobicContact CB-CD1 3.78Å; V1033-F1037 HydrophobicContact CB-CD2 4.45Å; V1033-F1037 HydrophobicContact CB-CE1 4.41Å; V1033-F1037 HydrophobicContact CB-CG 3.79Å; V1033-F1037 HydrophobicContact CG1-CD1 3.88Å; V1033-F1037 HydrophobicContact CG1-CE1 4.04Å; V1033-F1037 HydrophobicContact CG1-CG 4.29Å; V1033-F1037 HydrophobicContact CG2-CB 3.75Å; V1033-F1037 HydrophobicContact CG2-CD1 3.76Å; V1033-F1037 HydrophobicContact CG2-CG 3.97Å; P1034-F1037 WeakPolarHBondContact O-CB 3.43Å; P1034-F1037 PolarHBondContact O-N 3.33Å; R1035-F1037 PolarHBondContact O-N 2.87Å; R1035-F1037 VanDerWaalsContact O-N 3.15Å; F1037-R1040 PolarHBondContact O-N 2.85Å; F1037-V1041 HydrophobicContact CD1-CG2 4.38Å; F1037-V1041 HydrophobicContact CD2-CG2 4.13Å; F1037-V1041 HydrophobicContact CE1-CG2 4.03Å; F1037-V1041 HydrophobicContact CE2-CG2 3.75Å; F1037-V1041 HydrophobicContact CG-CG2 4.43Å; F1037-V1041 HydrophobicContact CZ-CG2 3.71Å; F1037-V1041 VanDerWaalsContact O-CG2 3.3Å; F1037-V1041 WeakPolarHBondContact O-CG2 3.43Å; F1037-V1041 PolarHBondContact O-N 3.4Å; F1037-V1077 HydrophobicContact CE1-CG1 3.91Å; F1037-V1077 HydrophobicContact CZ-CG1 4.5Å; F1037-L1081 HydrophobicContact CE1-CD1 3.93Å; F1037-L1081 HydrophobicContact CZ-CD1 4.12Å; F1037-V1094 HydrophobicContact CD2-CG1 4.18Å; F1037-V1094 HydrophobicContact CE2-CB 4.46Å; F1037-V1094 HydrophobicContact CE2-CG1 3.83Å; F1037-V1094 HydrophobicContact CZ-CG1 4.31Å; F1037-V1094 HydrophobicContact CZ-CG2 4.32Å; F1037-L1097 HydrophobicContact CE2-CB 3.92Å; F1037-L1097 HydrophobicContact CE2-CD1 4.26Å; F1037-L1097 HydrophobicContact CZ-CB 4.26Å; F1037-L1097 HydrophobicContact CZ-CD1 3.74Å; F1037-M1098 HydrophobicContact CD2-CG 4.18Å; F1037-M1098 HydrophobicContact CD2-SD 3.64Å; F1037-M1098 HydrophobicContact CE2-CG 4.46Å; F1037-M1098 HydrophobicContact CE2-SD 4.38Å |
| 1038 | Y | 92.4 | Very high | 89.9 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -45.7 | -177.1 | -60 | -69.8 | 0 | 0 | 0 | 112.5 | L921 V1033 D1036 R1040 V1041 W1042 F1073 A1074 V1077 E1078 | L921-Y1038 HydrophobicContact CD1-CD2 4.33Å; L921-Y1038 HydrophobicContact CD1-CE1 4.2Å; L921-Y1038 HydrophobicContact CD1-CE2 3.65Å; L921-Y1038 HydrophobicContact CD2-CE2 4.33Å; L921-Y1038 HydrophobicContact CG-CE2 3.96Å; V1033-Y1038 HydrophobicContact CG2-CD2 4.38Å; V1033-Y1038 HydrophobicContact CG2-CE2 3.65Å; D1036-Y1038 VanDerWaalsContact C-N 3.33Å; D1036-Y1038 PolarHBondContact O-N 2.84Å; Y1038-R1040 VanDerWaalsContact C-N 3.28Å; Y1038-R1040 PolarHBondContact O-N 3.33Å; Y1038-V1041 PolarHBondContact O-N 3.48Å; Y1038-W1042 PolarHBondContact O-N 3.01Å; Y1038-F1073 VanDerWaalsContact O-CE1 3.29Å; Y1038-F1073 WeakPolarHBondContact O-CE1 2.93Å; Y1038-A1074 HydrophobicContact CD1-CB 3.79Å; Y1038-A1074 HydrophobicContact CD2-CB 3.81Å; Y1038-A1074 HydrophobicContact CE1-CB 4.31Å; Y1038-A1074 WeakPolarHBondContact CE1-O 3.34Å; Y1038-A1074 HydrophobicContact CE2-CB 4.33Å; Y1038-A1074 HydrophobicContact CG-CB 3.5Å; Y1038-A1074 VanDerWaalsContact CG-CB 3.5Å; Y1038-V1077 HydrophobicContact CD1-CB 3.87Å; Y1038-V1077 HydrophobicContact CD1-CG1 3.98Å; Y1038-V1077 HydrophobicContact CD1-CG2 4.45Å; Y1038-V1077 HydrophobicContact CE1-CB 4.06Å; Y1038-V1077 HydrophobicContact CE1-CG1 4.06Å; Y1038-E1078 HydrophobicContact CE1-CB 4.34Å; Y1038-E1078 PolarHBondContact OH-OE2 2.99Å |
| 1039 | S | 90.7 | Very high | 90 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.1 | -32.7 | 178.4 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | D1036 W1042 T1043 P1068 | D1036-S1039 PolarHBondContact O-N 3.2Å; D1036-S1039 PolarHBondContact O-OG 3.29Å; S1039-W1042 WeakPolarHBondContact O-CB 3.35Å; S1039-T1043 PolarHBondContact O-N 3.5Å; S1039-T1043 PolarHBondContact O-OG1 3.5Å; S1039-P1068 WeakPolarHBondContact CB-O 3.46Å |
| 1040 | R | 93.3 | Very high | 90.5 | Very high | 66 Ų | 66 | 39.3 Ų | 39.3 | 25% | 0.249 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.1 | -41.5 | 172.7 | -65.3 | 172.9 | -166.4 | -130.8 | 9.4 | 112.3 | D1036 F1037 Y1038 W1042 T1043 V1044 T1101 E1105 | D1036-R1040 HydrophobicContact CB-CG 4.49Å; D1036-R1040 WeakPolarHBondContact O-CB 3.42Å; D1036-R1040 WeakPolarHBondContact O-CG 3.35Å; D1036-R1040 PolarHBondContact O-N 3.42Å; F1037-R1040 PolarHBondContact O-N 2.85Å; Y1038-R1040 VanDerWaalsContact C-N 3.28Å; Y1038-R1040 PolarHBondContact O-N 3.33Å; R1040-W1042 PolarHBondContact O-N 3.41Å; R1040-T1043 WeakPolarHBondContact O-CB 3.46Å; R1040-T1043 PolarHBondContact O-N 3.16Å; R1040-T1043 VanDerWaalsContact O-N 3.07Å; R1040-V1044 PolarHBondContact O-N 3.16Å; R1040-T1101 HydrophobicContact CB-CG2 3.47Å; R1040-T1101 VanDerWaalsContact CB-CG2 3.47Å; R1040-E1105 WeakPolarHBondContact CD-OE1 3.46Å; R1040-E1105 WeakPolarHBondContact CG-OE1 3.3Å; R1040-E1105 IonicContact CZ-OE1 3.28Å; R1040-E1105 IonicContact NE-OE1 2.81Å; R1040-E1105 PolarHBondContact NE-OE1 3.4Å; R1040-E1105 IonicContact NH1-OE1 2.79Å; R1040-E1105 PolarHBondContact NH1-OE1 3.29Å; R1040-E1105 IonicContact NH1-OE2 2.94Å; R1040-E1105 PolarHBondContact NH1-OE2 3.38Å |
| 1041 | V | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -36.1 | 174.2 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | F1037 Y1038 T1043 V1044 L1045 L1051 F1073 V1077 L1097 | F1037-V1041 HydrophobicContact CD1-CG2 4.38Å; F1037-V1041 HydrophobicContact CD2-CG2 4.13Å; F1037-V1041 HydrophobicContact CE1-CG2 4.03Å; F1037-V1041 HydrophobicContact CE2-CG2 3.75Å; F1037-V1041 HydrophobicContact CG-CG2 4.43Å; F1037-V1041 HydrophobicContact CZ-CG2 3.71Å; F1037-V1041 VanDerWaalsContact O-CG2 3.3Å; F1037-V1041 WeakPolarHBondContact O-CG2 3.43Å; F1037-V1041 PolarHBondContact O-N 3.4Å; Y1038-V1041 PolarHBondContact O-N 3.48Å; V1041-T1043 VanDerWaalsContact C-N 3.32Å; V1041-T1043 PolarHBondContact O-N 3.33Å; V1041-V1044 WeakPolarHBondContact O-CB 3.49Å; V1041-V1044 PolarHBondContact O-N 2.92Å; V1041-L1045 WeakPolarHBondContact O-CB 3.45Å; V1041-L1045 PolarHBondContact O-N 2.98Å; V1041-L1051 HydrophobicContact CG1-CD1 3.93Å; V1041-F1073 HydrophobicContact CG1-CZ 4.41Å; V1041-V1077 HydrophobicContact CG1-CG1 4.2Å; V1041-V1077 HydrophobicContact CG1-CG2 3.98Å; V1041-L1097 HydrophobicContact CG2-CB 4.43Å |
| 1042 | W | 94.1 | Very high | 91.4 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | 171.9 | -172.3 | 100.2 | 0 | 0 | 0 | 111.6 | Y1038 S1039 R1040 V1044 L1045 E1046 T1063 M1066 P1068 F1073 | Y1038-W1042 PolarHBondContact O-N 3.01Å; S1039-W1042 WeakPolarHBondContact O-CB 3.35Å; R1040-W1042 PolarHBondContact O-N 3.41Å; W1042-V1044 VanDerWaalsContact C-N 3.3Å; W1042-V1044 PolarHBondContact O-N 2.94Å; W1042-L1045 PolarHBondContact O-N 3.42Å; W1042-E1046 HydrophobicContact CZ3-CB 4.34Å; W1042-E1046 PolarHBondContact O-N 3.42Å; W1042-T1063 HydrophobicContact CD2-CG2 4.33Å; W1042-T1063 HydrophobicContact CG-CG2 4.45Å; W1042-T1063 HydrophobicContact CZ2-CG2 4.37Å; W1042-M1066 PolarHBondContact NE1-O 3.09Å; W1042-P1068 HydrophobicContact CB-CB 3.97Å; W1042-P1068 HydrophobicContact CD2-CB 3.8Å; W1042-P1068 HydrophobicContact CD2-CG 4.2Å; W1042-P1068 HydrophobicContact CE3-CB 4.01Å; W1042-P1068 HydrophobicContact CE3-CG 4.18Å; W1042-P1068 HydrophobicContact CG-CB 3.78Å; W1042-F1073 HydrophobicContact CB-CD1 4.09Å; W1042-F1073 HydrophobicContact CB-CE1 3.52Å; W1042-F1073 HydrophobicContact CB-CE2 4.45Å; W1042-F1073 HydrophobicContact CB-CZ 3.71Å; W1042-F1073 AromaticContact CD1-CD2 3.78Å; W1042-F1073 AromaticContact CD1-CE2 3.78Å; W1042-F1073 AromaticContact CD1-CG 3.9Å; W1042-F1073 AromaticContact CD1-CZ 3.91Å; W1042-F1073 HydrophobicContact CG-CD1 4.48Å; W1042-F1073 HydrophobicContact CG-CE1 4.21Å; W1042-F1073 HydrophobicContact CG-CE2 4.45Å; W1042-F1073 HydrophobicContact CG-CZ 4.17Å |
| 1043 | T | 91.6 | Very high | 91.6 | Very high | 47 Ų | 47 | 36.3 Ų | 36.3 | 29% | 0.288 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.1 | -36.2 | 177.3 | -51.6 | 0 | 0 | 0 | 0 | 112.2 | S1039 R1040 V1041 | S1039-T1043 PolarHBondContact O-N 3.5Å; S1039-T1043 PolarHBondContact O-OG1 3.5Å; R1040-T1043 WeakPolarHBondContact O-CB 3.46Å; R1040-T1043 PolarHBondContact O-N 3.16Å; R1040-T1043 VanDerWaalsContact O-N 3.07Å; V1041-T1043 VanDerWaalsContact C-N 3.32Å; V1041-T1043 PolarHBondContact O-N 3.33Å |
| 1044 | V | 92.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -48.9 | 173.4 | 176 | 0 | 0 | 0 | 0 | 110.8 | R1040 V1041 W1042 E1046 K1047 C1048 L1051 L1100 T1101 T1104 L1112 | R1040-V1044 PolarHBondContact O-N 3.16Å; V1041-V1044 WeakPolarHBondContact O-CB 3.49Å; V1041-V1044 PolarHBondContact O-N 2.92Å; W1042-V1044 VanDerWaalsContact C-N 3.3Å; W1042-V1044 PolarHBondContact O-N 2.94Å; V1044-E1046 PolarHBondContact O-N 3.33Å; V1044-K1047 PolarHBondContact O-N 2.94Å; V1044-C1048 PolarHBondContact O-N 3.4Å; V1044-L1051 HydrophobicContact CG1-CD1 4.3Å; V1044-L1051 HydrophobicContact CG1-CD2 4.1Å; V1044-L1100 HydrophobicContact CG1-CB 4.03Å; V1044-L1100 HydrophobicContact CG1-CD1 4.47Å; V1044-L1100 HydrophobicContact CG2-CB 4.22Å; V1044-T1101 HydrophobicContact CG2-CG2 3.69Å; V1044-T1104 HydrophobicContact CB-CG2 4.47Å; V1044-T1104 HydrophobicContact CG2-CG2 4.04Å; V1044-L1112 HydrophobicContact CG1-CD1 3.82Å |
| 1045 | L | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -31.2 | -178.6 | -173 | 62.2 | 0 | 0 | 0 | 112 | V1041 W1042 K1047 C1048 L1051 L1058 Q1060 L1062 T1063 F1073 | V1041-L1045 WeakPolarHBondContact O-CB 3.45Å; V1041-L1045 PolarHBondContact O-N 2.98Å; W1042-L1045 PolarHBondContact O-N 3.42Å; L1045-K1047 PolarHBondContact O-N 2.75Å; L1045-C1048 PolarHBondContact O-N 2.92Å; L1045-C1048 VanDerWaalsContact O-O 3.05Å; L1045-L1051 HydrophobicContact CB-CD1 4.38Å; L1045-L1051 HydrophobicContact CD1-CD1 4.33Å; L1045-L1051 HydrophobicContact CD1-CG 4.16Å; L1045-L1058 HydrophobicContact CD1-CB 4.38Å; L1045-L1058 VanDerWaalsContact CD1-O 3.3Å; L1045-L1058 WeakPolarHBondContact CD1-O 3.44Å; L1045-L1058 HydrophobicContact CD2-CB 4.45Å; L1045-Q1060 WeakPolarHBondContact O-CG 3.34Å; L1045-L1062 HydrophobicContact CD2-CB 4.22Å; L1045-L1062 HydrophobicContact CD2-CD1 4.47Å; L1045-T1063 HydrophobicContact CB-CG2 4.08Å; L1045-T1063 HydrophobicContact CD2-CG2 3.97Å; L1045-T1063 HydrophobicContact CG-CG2 3.93Å; L1045-F1073 HydrophobicContact CD2-CE2 3.8Å; L1045-F1073 HydrophobicContact CD2-CZ 4.18Å |
| 1046 | E | 91.1 | Very high | 91.1 | Very high | 64 Ų | 64 | 35.4 Ų | 35.4 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.9 | -27.9 | 174 | -172.4 | 173.5 | -135.4 | 0 | 0 | 112.7 | R319 W1042 V1044 Q1060 T1063 | R319-E1046 IonicContact CZ-OE1 2.74Å; R319-E1046 IonicContact NH2-OE1 3.7Å; R319-E1046 PolarHBondContact NH2-OE1 3.43Å; W1042-E1046 HydrophobicContact CZ3-CB 4.34Å; W1042-E1046 PolarHBondContact O-N 3.42Å; V1044-E1046 PolarHBondContact O-N 3.33Å; E1046-Q1060 PolarHBondContact O-NE2 3.08Å; E1046-T1063 HydrophobicContact CB-CG2 4.43Å |
| 1047 | K | 90.1 | Very high | 91.4 | Very high | 34 Ų | 34 | 34 Ų | 34 | 15% | 0.148 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.3 | -175.9 | -67.3 | -172.1 | 177.9 | -178.3 | 0 | 114.5 | V1044 L1045 T1104 N1107 S1111 L1112 | V1044-K1047 PolarHBondContact O-N 2.94Å; L1045-K1047 PolarHBondContact O-N 2.75Å; K1047-T1104 HydrophobicContact CB-CG2 4.49Å; K1047-T1104 HydrophobicContact CD-CG2 3.84Å; K1047-T1104 PolarHBondContact NZ-O 3.44Å; K1047-N1107 PolarHBondContact NZ-OD1 3.17Å; K1047-S1111 PolarHBondContact O-OG 3.26Å; K1047-L1112 HydrophobicContact CB-CD1 4.28Å; K1047-L1112 HydrophobicContact CB-CG 4.22Å; K1047-L1112 PolarHBondContact O-N 2.61Å |
| 1048 | C | 91.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 166.3 | 177 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | V1044 L1045 G1050 Q1060 L1112 G1113 I1116 | V1044-C1048 PolarHBondContact O-N 3.4Å; L1045-C1048 PolarHBondContact O-N 2.92Å; L1045-C1048 VanDerWaalsContact O-O 3.05Å; C1048-G1050 VanDerWaalsContact C-N 3.29Å; C1048-Q1060 WeakPolarHBondContact O-CB 3.21Å; C1048-Q1060 VanDerWaalsContact O-CD 3.31Å; C1048-Q1060 WeakPolarHBondContact O-CG 3.46Å; C1048-L1112 HydrophobicContact CB-CB 4.06Å; C1048-G1113 WeakPolarHBondContact CA-O 3.5Å; C1048-I1116 HydrophobicContact CB-CD1 3.97Å; C1048-I1116 HydrophobicContact CB-CG1 4.3Å |
| 1049 | Q | 90.1 | Very high | 91.4 | Very high | 125 Ų | 125 | 39 Ų | 39 | 58% | 0.584 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70 | -28.4 | 174.2 | -69.5 | 178.7 | -13.5 | 0 | 0 | 112.6 | Q1060 G1113 G1114 V1115 | Q1049-Q1060 PolarHBondContact O-N 3.01Å; Q1049-Q1060 VanDerWaalsContact O-N 3.16Å; Q1049-G1113 PolarHBondContact N-O 3.34Å; Q1049-G1113 VanDerWaalsContact N-O 3.12Å; Q1049-G1114 PolarHBondContact N-O 3.01Å; Q1049-V1115 HydrophobicContact CB-CG2 4.24Å |
| 1050 | G | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | 166.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C1048 L1058 V1115 I1116 | C1048-G1050 VanDerWaalsContact C-N 3.29Å; G1050-L1058 CarbonylContact C-O 3.52Å; G1050-L1058 WeakPolarHBondContact CA-O 3.39Å; G1050-V1115 WeakPolarHBondContact O-CA 3.27Å; G1050-I1116 PolarHBondContact O-N 3.11Å |
| 1051 | L | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 118.1 | 173.7 | -64.6 | 168.9 | 0 | 0 | 0 | 108.8 | V1041 V1044 L1045 V1057 L1058 L1097 L1100 I1116 V1118 | V1041-L1051 HydrophobicContact CG1-CD1 3.93Å; V1044-L1051 HydrophobicContact CG1-CD1 4.3Å; V1044-L1051 HydrophobicContact CG1-CD2 4.1Å; L1045-L1051 HydrophobicContact CB-CD1 4.38Å; L1045-L1051 HydrophobicContact CD1-CD1 4.33Å; L1045-L1051 HydrophobicContact CD1-CG 4.16Å; L1051-V1057 WeakPolarHBondContact O-CA 3.36Å; L1051-L1058 HydrophobicContact CB-CB 4.3Å; L1051-L1058 PolarHBondContact N-O 3.08Å; L1051-L1058 PolarHBondContact O-N 3.44Å; L1051-L1097 HydrophobicContact CD1-CD2 4.07Å; L1051-L1097 HydrophobicContact CD2-CD2 4.31Å; L1051-L1100 HydrophobicContact CD2-CD1 4.28Å; L1051-I1116 HydrophobicContact CD2-CB 4.14Å; L1051-I1116 HydrophobicContact CD2-CD1 4.29Å; L1051-V1118 HydrophobicContact CD2-CG2 4.45Å |
| 1052 | A | 93.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.033 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1056 V1057 V1115 I1116 Y1117 V1118 | A1052-R1056 WeakPolarHBondContact CA-O 3.42Å; A1052-V1057 HydrophobicContact CB-CG2 4.1Å; A1052-V1115 HydrophobicContact CB-CG1 3.87Å; A1052-I1116 PolarHBondContact N-O 2.81Å; A1052-Y1117 HydrophobicContact CB-CD1 3.75Å; A1052-Y1117 HydrophobicContact CB-CE1 4.05Å; A1052-Y1117 HydrophobicContact CB-CG 4.31Å; A1052-V1118 PolarHBondContact O-N 3.38Å; A1052-V1118 VanDerWaalsContact O-N 3.09Å |
| 1053 | I | 93.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 114.5 | -179.9 | -54.5 | 173 | 0 | 0 | 0 | 108.3 | G1055 R1056 L1058 A1080 L1081 I1084 V1093 L1097 V1118 | I1053-G1055 PolarHBondContact O-N 3Å; I1053-R1056 PolarHBondContact N-O 3.44Å; I1053-R1056 WeakPolarHBondContact O-CB 3.49Å; I1053-R1056 PolarHBondContact O-N 2.92Å; I1053-L1058 HydrophobicContact CD1-CD1 4.22Å; I1053-A1080 HydrophobicContact CB-CB 4.33Å; I1053-A1080 HydrophobicContact CD1-CB 4.14Å; I1053-L1081 HydrophobicContact CD1-CD2 4.3Å; I1053-L1081 HydrophobicContact CG2-CD2 4.5Å; I1053-I1084 HydrophobicContact CG2-CD1 3.87Å; I1053-I1084 HydrophobicContact CG2-CG1 4.35Å; I1053-V1093 HydrophobicContact CG2-CG1 4.24Å; I1053-L1097 HydrophobicContact CD1-CD1 4.1Å; I1053-V1118 HydrophobicContact CG1-CB 4.49Å; I1053-V1118 HydrophobicContact CG1-CG2 4.11Å |
| 1054 | E | 84.5 | Confident | 90.1 | Very high | 77 Ų | 77 | 40 Ų | 40 | 36% | 0.36 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 40.8 | 57.7 | -176.7 | -73.7 | -64.9 | 160.4 | 0 | 0 | 113 | R1056 Q1083 I1084 Y1089 E1119 | E1054-R1056 PolarHBondContact O-N 2.84Å; E1054-Q1083 HydrophobicContact CB-CB 3.98Å; E1054-I1084 HydrophobicContact CB-CG1 4.25Å; E1054-I1084 HydrophobicContact CG-CB 4.32Å; E1054-I1084 HydrophobicContact CG-CD1 4.45Å; E1054-I1084 HydrophobicContact CG-CG1 3.37Å; E1054-Y1089 WeakPolarHBondContact OE1-CE1 3.06Å; E1054-E1119 WeakPolarHBondContact CA-OE1 3.47Å; E1054-E1119 PolarHBondContact N-OE1 3.19Å |
| 1055 | G | 80.4 | Confident | 89.7 | Confident | 77 Ų | 77 | 41.3 Ų | 41.3 | 79% | 0.794 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -10.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1053 | I1053-G1055 PolarHBondContact O-N 3Š|
| 1056 | R | 89.9 | Confident | 89.4 | Confident | 72 Ų | 72 | 41.8 Ų | 41.8 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 130.5 | 171 | -173.5 | 173.3 | -179.9 | 158.6 | -3 | 110.3 | A1052 I1053 E1054 E1076 A1080 | A1052-R1056 WeakPolarHBondContact CA-O 3.42Å; I1053-R1056 PolarHBondContact N-O 3.44Å; I1053-R1056 WeakPolarHBondContact O-CB 3.49Å; I1053-R1056 PolarHBondContact O-N 2.92Å; E1054-R1056 PolarHBondContact O-N 2.84Å; R1056-E1076 IonicContact CZ-OE2 2.93Å; R1056-E1076 IonicContact NH2-OE1 2.7Å; R1056-E1076 IonicContact NH2-OE2 2.72Å; R1056-E1076 PolarHBondContact NH2-OE2 3.32Å; R1056-A1080 HydrophobicContact CG-CB 4.48Å |
| 1057 | V | 92.3 | Very high | 89.2 | Confident | 67 Ų | 67 | 39.1 Ų | 39.1 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 114.3 | 177 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | L1051 A1052 Q1059 V1115 | L1051-V1057 WeakPolarHBondContact O-CA 3.36Å; A1052-V1057 HydrophobicContact CB-CG2 4.1Å; V1057-Q1059 HydrophobicContact CG1-CG 4.41Å; V1057-Q1059 PolarHBondContact O-N 2.66Å; V1057-V1115 HydrophobicContact CG1-CG1 4.16Å |
| 1058 | L | 92.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 110.3 | 164.5 | -61.7 | 173.4 | 0 | 0 | 0 | 107.4 | L1045 G1050 L1051 I1053 L1062 V1077 A1080 | L1045-L1058 HydrophobicContact CD1-CB 4.38Å; L1045-L1058 VanDerWaalsContact CD1-O 3.3Å; L1045-L1058 WeakPolarHBondContact CD1-O 3.44Å; L1045-L1058 HydrophobicContact CD2-CB 4.45Å; G1050-L1058 CarbonylContact C-O 3.52Å; G1050-L1058 WeakPolarHBondContact CA-O 3.39Å; L1051-L1058 HydrophobicContact CB-CB 4.3Å; L1051-L1058 PolarHBondContact N-O 3.08Å; L1051-L1058 PolarHBondContact O-N 3.44Å; I1053-L1058 HydrophobicContact CD1-CD1 4.22Å; L1058-L1062 HydrophobicContact CB-CD1 4.32Å; L1058-L1062 HydrophobicContact CD2-CD1 4.01Å; L1058-V1077 HydrophobicContact CD1-CB 4.48Å; L1058-V1077 HydrophobicContact CD1-CG2 4.09Å; L1058-A1080 HydrophobicContact CD1-CB 4.24Å; L1058-A1080 HydrophobicContact CD2-CB 4.11Å; L1058-A1080 HydrophobicContact CG-CB 4.19Å |
| 1059 | Q | 91.6 | Very high | 88.8 | Confident | 117 Ų | 117 | 41.5 Ų | 41.5 | 55% | 0.547 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 149.4 | -178 | -66.9 | -174.2 | -7.9 | 0 | 0 | 111.6 | V1057 S1061 L1062 | V1057-Q1059 HydrophobicContact CG1-CG 4.41Å; V1057-Q1059 PolarHBondContact O-N 2.66Å; Q1059-S1061 VanDerWaalsContact CB-OG 3.29Å; Q1059-S1061 WeakPolarHBondContact CB-OG 3.5Å; Q1059-S1061 PolarHBondContact O-N 2.75Å; Q1059-S1061 VanDerWaalsContact O-N 3.11Å; Q1059-S1061 PolarHBondContact OE1-OG 2.81Å; Q1059-L1062 WeakPolarHBondContact O-CB 3.24Å; Q1059-L1062 PolarHBondContact O-N 3.45Å; Q1059-L1062 VanDerWaalsContact O-N 3.11Å |
| 1060 | Q | 89.8 | Confident | 88.6 | Confident | 69 Ų | 69 | 35.9 Ų | 35.9 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.5 | 174.3 | -168.7 | -178.8 | 25.1 | 0 | 0 | 113.2 | L1045 E1046 C1048 Q1049 L1062 T1063 | L1045-Q1060 WeakPolarHBondContact O-CG 3.34Å; E1046-Q1060 PolarHBondContact O-NE2 3.08Å; C1048-Q1060 WeakPolarHBondContact O-CB 3.21Å; C1048-Q1060 VanDerWaalsContact O-CD 3.31Å; C1048-Q1060 WeakPolarHBondContact O-CG 3.46Å; Q1049-Q1060 PolarHBondContact O-N 3.01Å; Q1049-Q1060 VanDerWaalsContact O-N 3.16Å; Q1060-L1062 PolarHBondContact O-N 3.13Å; Q1060-L1062 VanDerWaalsContact O-N 3.16Å; Q1060-T1063 WeakPolarHBondContact O-CB 3.49Å; Q1060-T1063 PolarHBondContact O-N 3.28Å; Q1060-T1063 PolarHBondContact O-OG1 2.87Å |
| 1061 | S | 87.4 | Confident | 88.1 | Confident | 36 Ų | 36 | 36.8 Ų | 36.8 | 25% | 0.252 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -33 | 175.5 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | Q1059 T1063 Q1064 E1065 | Q1059-S1061 VanDerWaalsContact CB-OG 3.29Å; Q1059-S1061 WeakPolarHBondContact CB-OG 3.5Å; Q1059-S1061 PolarHBondContact O-N 2.75Å; Q1059-S1061 VanDerWaalsContact O-N 3.11Å; Q1059-S1061 PolarHBondContact OE1-OG 2.81Å; S1061-T1063 PolarHBondContact O-N 3.22Å; S1061-T1063 VanDerWaalsContact O-N 3.15Å; S1061-Q1064 WeakPolarHBondContact O-CA 3.5Å; S1061-Q1064 WeakPolarHBondContact O-CB 3.4Å; S1061-Q1064 PolarHBondContact O-N 2.88Å; S1061-E1065 PolarHBondContact O-N 3.3Å |
| 1062 | L | 87.1 | Confident | 87.7 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.7 | -32.5 | 176.6 | -69.2 | 171.7 | 0 | 0 | 0 | 113 | L1045 L1058 Q1059 Q1060 Q1064 E1065 M1066 F1073 | L1045-L1062 HydrophobicContact CD2-CB 4.22Å; L1045-L1062 HydrophobicContact CD2-CD1 4.47Å; L1058-L1062 HydrophobicContact CB-CD1 4.32Å; L1058-L1062 HydrophobicContact CD2-CD1 4.01Å; Q1059-L1062 WeakPolarHBondContact O-CB 3.24Å; Q1059-L1062 PolarHBondContact O-N 3.45Å; Q1059-L1062 VanDerWaalsContact O-N 3.11Å; Q1060-L1062 PolarHBondContact O-N 3.13Å; Q1060-L1062 VanDerWaalsContact O-N 3.16Å; L1062-Q1064 PolarHBondContact O-N 3.44Å; L1062-E1065 PolarHBondContact O-N 3.46Å; L1062-M1066 HydrophobicContact CD2-CE 4.27Å; L1062-M1066 PolarHBondContact O-N 3.01Å; L1062-F1073 HydrophobicContact CB-CE2 4.45Å |
| 1063 | T | 88.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.2 | -19.5 | 176.3 | 68.4 | 0 | 0 | 0 | 0 | 113 | R298 R319 W1042 L1045 E1046 Q1060 S1061 | R298-T1063 PolarHBondContact NH1-O 3.48Å; R298-T1063 PolarHBondContact NH2-O 3.34Å; R319-T1063 PolarHBondContact NH1-OG1 2.71Å; W1042-T1063 HydrophobicContact CD2-CG2 4.33Å; W1042-T1063 HydrophobicContact CG-CG2 4.45Å; W1042-T1063 HydrophobicContact CZ2-CG2 4.37Å; L1045-T1063 HydrophobicContact CB-CG2 4.08Å; L1045-T1063 HydrophobicContact CD2-CG2 3.97Å; L1045-T1063 HydrophobicContact CG-CG2 3.93Å; E1046-T1063 HydrophobicContact CB-CG2 4.43Å; Q1060-T1063 WeakPolarHBondContact O-CB 3.49Å; Q1060-T1063 PolarHBondContact O-N 3.28Å; Q1060-T1063 PolarHBondContact O-OG1 2.87Å; S1061-T1063 PolarHBondContact O-N 3.22Å; S1061-T1063 VanDerWaalsContact O-N 3.15Å |
| 1064 | Q | 84.9 | Confident | 87.3 | Confident | 69 Ų | 69 | 40.2 Ų | 40.2 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -78.8 | -36.8 | 173.3 | -49.2 | -179.5 | -11.1 | 0 | 0 | 111.1 | R298 R319 S1061 L1062 | R298-Q1064 PolarHBondContact NH1-O 3.48Å; R298-Q1064 VanDerWaalsContact NH1-O 3.16Å; R319-Q1064 HydrophobicContact CB-CB 4.05Å; R319-Q1064 WeakPolarHBondContact CB-O 3.47Å; R319-Q1064 PolarHBondContact N-O 3.03Å; S1061-Q1064 WeakPolarHBondContact O-CA 3.5Å; S1061-Q1064 WeakPolarHBondContact O-CB 3.4Å; S1061-Q1064 PolarHBondContact O-N 2.88Å; L1062-Q1064 PolarHBondContact O-N 3.44Å |
| 1065 | E | 82.9 | Confident | 87.5 | Confident | 29 Ų | 29 | 37.7 Ų | 37.7 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.8 | -42.5 | -179.4 | -49.6 | -173.6 | -178.7 | 0 | 0 | 111.4 | R315 L318 S1061 L1062 | R315-E1065 HydrophobicContact CB-CG 3.79Å; R315-E1065 WeakPolarHBondContact CB-OE1 3.4Å; R315-E1065 WeakPolarHBondContact CD-OE1 3.35Å; R315-E1065 IonicContact NH1-OE1 2.95Å; R315-E1065 IonicContact NH1-OE2 3.61Å; L318-E1065 VanDerWaalsContact CD1-O 3.27Å; L318-E1065 WeakPolarHBondContact CD1-O 3.47Å; S1061-E1065 PolarHBondContact O-N 3.3Å; L1062-E1065 PolarHBondContact O-N 3.46Å |
| 1066 | M | 88.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 37 Ų | 37 | 5% | 0.054 | 20% | 0.195 | C | C | . | . | trans | -123.4 | 150.2 | -166.3 | -57.2 | 174.9 | -161.6 | 0 | 0 | 112.9 | R298 W1042 L1062 E1070 K1072 F1073 | R298-M1066 VanDerWaalsContact NH1-C 3.31Å; R298-M1066 PolarHBondContact NH1-O 3.29Å; W1042-M1066 PolarHBondContact NE1-O 3.09Å; L1062-M1066 HydrophobicContact CD2-CE 4.27Å; L1062-M1066 PolarHBondContact O-N 3.01Å; M1066-E1070 WeakPolarHBondContact CA-OE2 3.34Å; M1066-E1070 WeakPolarHBondContact CB-OE2 3.35Å; M1066-K1072 HydrophobicContact CE-CB 4.4Å; M1066-K1072 HydrophobicContact CE-CD 3.76Å; M1066-K1072 HydrophobicContact CE-CG 3.69Å; M1066-K1072 HydrophobicContact SD-CB 3.94Å; M1066-K1072 HydrophobicContact SD-CD 4.28Å; M1066-K1072 HydrophobicContact SD-CG 3.89Å; M1066-F1073 HydrophobicContact CB-CB 4.06Å; M1066-F1073 VanDerWaalsContact SD-CA 3.56Å; M1066-F1073 HydrophobicContact SD-CB 3.89Å; M1066-F1073 PolarHBondContact SD-N 3.4Å; M1066-F1073 VanDerWaalsContact SD-N 3.4Å | ||
| 1067 | T | 87.6 | Confident | 88 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | trans | -91.1 | 160.7 | 173.7 | 72.1 | 0 | 0 | 0 | 0 | 111.1 | E254 R298 G1069 E1070 | E254-T1067 VanDerWaalsContact CD-OG1 3.22Å; E254-T1067 WeakPolarHBondContact OE1-CB 3.33Å; E254-T1067 PolarHBondContact OE1-OG1 3.2Å; R298-T1067 HydrophobicContact CG-CG2 4.46Å; T1067-G1069 PolarHBondContact O-N 2.87Å; T1067-E1070 PolarHBondContact N-OE1 3.02Å; T1067-E1070 PolarHBondContact N-OE2 3.19Å; T1067-E1070 PolarHBondContact O-N 3.42Å; T1067-E1070 WeakPolarHBondContact OG1-CG 3.41Å; T1067-E1070 PolarHBondContact OG1-OE1 3.22Å | ||
| 1068 | P | 87.3 | Confident | 87.9 | Confident | 47 Ų | 47 | 30.4 Ų | 30.4 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.1 | -177.5 | 22.9 | -34.7 | 0 | 0 | 0 | 114.9 | S1039 W1042 | S1039-P1068 WeakPolarHBondContact CB-O 3.46Å; W1042-P1068 HydrophobicContact CB-CB 3.97Å; W1042-P1068 HydrophobicContact CD2-CB 3.8Å; W1042-P1068 HydrophobicContact CD2-CG 4.2Å; W1042-P1068 HydrophobicContact CE3-CB 4.01Å; W1042-P1068 HydrophobicContact CE3-CG 4.18Å; W1042-P1068 HydrophobicContact CG-CB 3.78Å |
| 1069 | G | 84.1 | Confident | 87.6 | Confident | 40 Ų | 40 | 31.7 Ų | 31.7 | 41% | 0.412 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 0 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E254 T1067 | E254-G1069 WeakPolarHBondContact OE2-CA 3.23Å; T1067-G1069 PolarHBondContact O-N 2.87Å |
| 1070 | E | 86.6 | Confident | 87.6 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | trans | -77.7 | 133.9 | 178.1 | -80 | 168.7 | -158 | 0 | 0 | 111.9 | K189 S252 E254 M1066 T1067 K1072 F1073 | K189-E1070 IonicContact NZ-OE1 3.77Å; K189-E1070 PolarHBondContact NZ-OE1 3.19Å; S252-E1070 WeakPolarHBondContact O-CG 3.44Å; E254-E1070 HydrophobicContact CB-CG 4.37Å; M1066-E1070 WeakPolarHBondContact CA-OE2 3.34Å; M1066-E1070 WeakPolarHBondContact CB-OE2 3.35Å; T1067-E1070 PolarHBondContact N-OE1 3.02Å; T1067-E1070 PolarHBondContact N-OE2 3.19Å; T1067-E1070 PolarHBondContact O-N 3.42Å; T1067-E1070 WeakPolarHBondContact OG1-CG 3.41Å; T1067-E1070 PolarHBondContact OG1-OE1 3.22Å; E1070-K1072 PolarHBondContact O-N 2.83Å; E1070-F1073 PolarHBondContact O-N 3.08Å | ||
| 1071 | L | 83.5 | Confident | 87.6 | Confident | 19 Ų | 19 | 23 Ų | 23 | 10% | 0.099 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.8 | -32.2 | 178.2 | -177.2 | 63.6 | 0 | 0 | 0 | 111.5 | N251 Q857 L921 F1073 A1074 L1075 | N251-L1071 PolarHBondContact O-N 2.89Å; N251-L1071 WeakPolarHBondContact OD1-CD2 3.24Å; Q857-L1071 HydrophobicContact CB-CD2 3.87Å; Q857-L1071 HydrophobicContact CG-CD2 4.08Å; L921-L1071 HydrophobicContact CD1-CD1 4.32Å; L921-L1071 HydrophobicContact CD2-CD1 3.87Å; L1071-F1073 VanDerWaalsContact C-N 3.3Å; L1071-F1073 PolarHBondContact O-N 3.39Å; L1071-A1074 WeakPolarHBondContact O-CB 3.09Å; L1071-A1074 PolarHBondContact O-N 3.45Å; L1071-A1074 VanDerWaalsContact O-N 3.12Å; L1071-L1075 HydrophobicContact CG-CD1 4.18Å; L1071-L1075 HydrophobicContact CG-CG 4.28Å; L1071-L1075 WeakPolarHBondContact O-CG 3.37Å; L1071-L1075 PolarHBondContact O-N 3.46Å |
| 1072 | K | 85.4 | Confident | 87.5 | Confident | 70 Ų | 70 | 22.1 Ų | 22.1 | 30% | 0.304 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -57.2 | -41.6 | 178.1 | -162.4 | 174.7 | -174.5 | 170.7 | 0 | 112.3 | D188 N251 M1066 E1070 L1075 E1076 | D188-K1072 IonicContact OD1-NZ 3.47Å; D188-K1072 IonicContact OD2-NZ 3.34Å; D188-K1072 PolarHBondContact OD2-NZ 2.9Å; N251-K1072 PolarHBondContact O-N 3.28Å; M1066-K1072 HydrophobicContact CE-CB 4.4Å; M1066-K1072 HydrophobicContact CE-CD 3.76Å; M1066-K1072 HydrophobicContact CE-CG 3.69Å; M1066-K1072 HydrophobicContact SD-CB 3.94Å; M1066-K1072 HydrophobicContact SD-CD 4.28Å; M1066-K1072 HydrophobicContact SD-CG 3.89Å; E1070-K1072 PolarHBondContact O-N 2.83Å; K1072-L1075 PolarHBondContact O-N 2.93Å; K1072-E1076 PolarHBondContact O-N 2.81Å |
| 1073 | F | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.3 | 177.5 | -97.4 | 0 | 0 | 0 | 111.5 | Y1038 V1041 W1042 L1045 L1062 M1066 E1070 L1071 L1075 E1076 V1077 | Y1038-F1073 VanDerWaalsContact O-CE1 3.29Å; Y1038-F1073 WeakPolarHBondContact O-CE1 2.93Å; V1041-F1073 HydrophobicContact CG1-CZ 4.41Å; W1042-F1073 HydrophobicContact CB-CD1 4.09Å; W1042-F1073 HydrophobicContact CB-CE1 3.52Å; W1042-F1073 HydrophobicContact CB-CE2 4.45Å; W1042-F1073 HydrophobicContact CB-CZ 3.71Å; W1042-F1073 AromaticContact CD1-CD2 3.78Å; W1042-F1073 AromaticContact CD1-CE2 3.78Å; W1042-F1073 AromaticContact CD1-CG 3.9Å; W1042-F1073 AromaticContact CD1-CZ 3.91Å; W1042-F1073 HydrophobicContact CG-CD1 4.48Å; W1042-F1073 HydrophobicContact CG-CE1 4.21Å; W1042-F1073 HydrophobicContact CG-CE2 4.45Å; W1042-F1073 HydrophobicContact CG-CZ 4.17Å; L1045-F1073 HydrophobicContact CD2-CE2 3.8Å; L1045-F1073 HydrophobicContact CD2-CZ 4.18Å; L1062-F1073 HydrophobicContact CB-CE2 4.45Å; M1066-F1073 HydrophobicContact CB-CB 4.06Å; M1066-F1073 VanDerWaalsContact SD-CA 3.56Å; M1066-F1073 HydrophobicContact SD-CB 3.89Å; M1066-F1073 PolarHBondContact SD-N 3.4Å; M1066-F1073 VanDerWaalsContact SD-N 3.4Å; E1070-F1073 PolarHBondContact O-N 3.08Å; L1071-F1073 VanDerWaalsContact C-N 3.3Å; L1071-F1073 PolarHBondContact O-N 3.39Å; F1073-L1075 VanDerWaalsContact C-N 3.3Å; F1073-L1075 PolarHBondContact O-N 2.99Å; F1073-E1076 WeakPolarHBondContact O-CB 3.44Å; F1073-E1076 PolarHBondContact O-N 3.36Å; F1073-E1076 VanDerWaalsContact O-N 3.16Å; F1073-V1077 HydrophobicContact CD1-CG2 4.28Å; F1073-V1077 HydrophobicContact CE1-CG2 3.65Å; F1073-V1077 HydrophobicContact CE2-CG2 4.33Å; F1073-V1077 HydrophobicContact CZ-CG2 3.69Å; F1073-V1077 PolarHBondContact O-N 2.75Å |
| 1074 | A | 89.3 | Confident | 87.4 | Confident | 8 Ų | 8 | 26.2 Ų | 26.2 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L921 Y1038 L1071 E1076 V1077 E1078 | L921-A1074 HydrophobicContact CD1-CB 3.57Å; Y1038-A1074 HydrophobicContact CD1-CB 3.79Å; Y1038-A1074 HydrophobicContact CD2-CB 3.81Å; Y1038-A1074 HydrophobicContact CE1-CB 4.31Å; Y1038-A1074 WeakPolarHBondContact CE1-O 3.34Å; Y1038-A1074 HydrophobicContact CE2-CB 4.33Å; Y1038-A1074 HydrophobicContact CG-CB 3.5Å; Y1038-A1074 VanDerWaalsContact CG-CB 3.5Å; L1071-A1074 WeakPolarHBondContact O-CB 3.09Å; L1071-A1074 PolarHBondContact O-N 3.45Å; L1071-A1074 VanDerWaalsContact O-N 3.12Å; A1074-E1076 PolarHBondContact O-N 3.02Å; A1074-V1077 PolarHBondContact O-N 2.86Å; A1074-E1078 WeakPolarHBondContact O-CB 3.38Å; A1074-E1078 PolarHBondContact O-N 3.04Å |
| 1075 | L | 87.8 | Confident | 87.2 | Confident | 25 Ų | 25 | 25.3 Ų | 25.3 | 13% | 0.131 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65 | -35.4 | 175.4 | -69 | 171.6 | 0 | 0 | 0 | 113 | L921 L1071 K1072 F1073 E1078 T1079 | L921-L1075 HydrophobicContact CB-CD2 4.06Å; L921-L1075 HydrophobicContact CD1-CD2 4.24Å; L1071-L1075 HydrophobicContact CG-CD1 4.18Å; L1071-L1075 HydrophobicContact CG-CG 4.28Å; L1071-L1075 WeakPolarHBondContact O-CG 3.37Å; L1071-L1075 PolarHBondContact O-N 3.46Å; K1072-L1075 PolarHBondContact O-N 2.93Å; F1073-L1075 VanDerWaalsContact C-N 3.3Å; F1073-L1075 PolarHBondContact O-N 2.99Å; L1075-E1078 PolarHBondContact O-N 3.12Å; L1075-T1079 WeakPolarHBondContact O-CB 3.41Å; L1075-T1079 PolarHBondContact O-N 2.92Å; L1075-T1079 PolarHBondContact O-OG1 3.45Å |
| 1076 | E | 89.4 | Confident | 87.3 | Confident | 61 Ų | 61 | 25 Ų | 25 | 29% | 0.285 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -65 | -45 | 174.9 | -78.1 | -61.8 | 127.7 | 0 | 0 | 111.9 | R1056 K1072 F1073 A1074 T1079 A1080 | R1056-E1076 IonicContact CZ-OE2 2.93Å; R1056-E1076 IonicContact NH2-OE1 2.7Å; R1056-E1076 IonicContact NH2-OE2 2.72Å; R1056-E1076 PolarHBondContact NH2-OE2 3.32Å; K1072-E1076 PolarHBondContact O-N 2.81Å; F1073-E1076 WeakPolarHBondContact O-CB 3.44Å; F1073-E1076 PolarHBondContact O-N 3.36Å; F1073-E1076 VanDerWaalsContact O-N 3.16Å; A1074-E1076 PolarHBondContact O-N 3.02Å; E1076-T1079 PolarHBondContact O-N 3.46Å; E1076-A1080 PolarHBondContact O-N 3Å; E1076-A1080 VanDerWaalsContact O-N 3.09Å |
| 1077 | V | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | F1037 Y1038 V1041 L1058 F1073 A1074 T1079 A1080 L1081 | F1037-V1077 HydrophobicContact CE1-CG1 3.91Å; F1037-V1077 HydrophobicContact CZ-CG1 4.5Å; Y1038-V1077 HydrophobicContact CD1-CB 3.87Å; Y1038-V1077 HydrophobicContact CD1-CG1 3.98Å; Y1038-V1077 HydrophobicContact CD1-CG2 4.45Å; Y1038-V1077 HydrophobicContact CE1-CB 4.06Å; Y1038-V1077 HydrophobicContact CE1-CG1 4.06Å; V1041-V1077 HydrophobicContact CG1-CG1 4.2Å; V1041-V1077 HydrophobicContact CG1-CG2 3.98Å; L1058-V1077 HydrophobicContact CD1-CB 4.48Å; L1058-V1077 HydrophobicContact CD1-CG2 4.09Å; F1073-V1077 HydrophobicContact CD1-CG2 4.28Å; F1073-V1077 HydrophobicContact CE1-CG2 3.65Å; F1073-V1077 HydrophobicContact CE2-CG2 4.33Å; F1073-V1077 HydrophobicContact CZ-CG2 3.69Å; F1073-V1077 PolarHBondContact O-N 2.75Å; A1074-V1077 PolarHBondContact O-N 2.86Å; V1077-T1079 VanDerWaalsContact C-N 3.32Å; V1077-T1079 PolarHBondContact O-N 3.34Å; V1077-A1080 WeakPolarHBondContact O-CB 3.38Å; V1077-A1080 PolarHBondContact O-N 2.89Å; V1077-L1081 HydrophobicContact CG1-CD1 4.35Å; V1077-L1081 PolarHBondContact O-N 3.47Å |
| 1078 | E | 89.6 | Confident | 87.3 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 178.6 | -160.9 | -174 | 88.5 | 0 | 0 | 111.8 | L921 R922 Y1038 A1074 L1075 A1080 L1081 N1082 | L921-E1078 WeakPolarHBondContact CA-OE2 3.36Å; L921-E1078 WeakPolarHBondContact CB-OE2 3.29Å; L921-E1078 HydrophobicContact CD1-CB 4.44Å; L921-E1078 WeakPolarHBondContact CG-OE2 3.49Å; L921-E1078 PolarHBondContact N-OE2 3.25Å; L921-E1078 VanDerWaalsContact N-OE2 3.14Å; R922-E1078 WeakPolarHBondContact CB-OE1 3.31Å; R922-E1078 PolarHBondContact N-OE1 2.83Å; R922-E1078 PolarHBondContact N-OE2 2.76Å; Y1038-E1078 HydrophobicContact CE1-CB 4.34Å; Y1038-E1078 PolarHBondContact OH-OE2 2.99Å; A1074-E1078 WeakPolarHBondContact O-CB 3.38Å; A1074-E1078 PolarHBondContact O-N 3.04Å; L1075-E1078 PolarHBondContact O-N 3.12Å; E1078-A1080 VanDerWaalsContact C-N 3.28Å; E1078-A1080 PolarHBondContact O-N 3.26Å; E1078-L1081 PolarHBondContact O-N 3.41Å; E1078-N1082 WeakPolarHBondContact O-CB 3.44Å; E1078-N1082 PolarHBondContact O-N 3.47Å; E1078-N1082 PolarHBondContact O-ND2 3.34Å |
| 1079 | T | 88.1 | Confident | 87.5 | Confident | 30 Ų | 30 | 22.8 Ų | 22.8 | 18% | 0.184 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.4 | -32 | 176.8 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | L1075 E1076 V1077 | L1075-T1079 WeakPolarHBondContact O-CB 3.41Å; L1075-T1079 PolarHBondContact O-N 2.92Å; L1075-T1079 PolarHBondContact O-OG1 3.45Å; E1076-T1079 PolarHBondContact O-N 3.46Å; V1077-T1079 VanDerWaalsContact C-N 3.32Å; V1077-T1079 PolarHBondContact O-N 3.34Å |
| 1080 | A | 90.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.9 | -46 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | I1053 R1056 L1058 E1076 V1077 E1078 N1082 Q1083 | I1053-A1080 HydrophobicContact CB-CB 4.33Å; I1053-A1080 HydrophobicContact CD1-CB 4.14Å; R1056-A1080 HydrophobicContact CG-CB 4.48Å; L1058-A1080 HydrophobicContact CD1-CB 4.24Å; L1058-A1080 HydrophobicContact CD2-CB 4.11Å; L1058-A1080 HydrophobicContact CG-CB 4.19Å; E1076-A1080 PolarHBondContact O-N 3Å; E1076-A1080 VanDerWaalsContact O-N 3.09Å; V1077-A1080 WeakPolarHBondContact O-CB 3.38Å; V1077-A1080 PolarHBondContact O-N 2.89Å; E1078-A1080 VanDerWaalsContact C-N 3.28Å; E1078-A1080 PolarHBondContact O-N 3.26Å; A1080-N1082 VanDerWaalsContact C-N 3.26Å; A1080-N1082 PolarHBondContact O-N 2.89Å; A1080-Q1083 WeakPolarHBondContact O-CB 3.23Å; A1080-Q1083 PolarHBondContact O-N 3.23Å |
| 1081 | L | 90.4 | Very high | 88.2 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.3 | -32.4 | 175.7 | -68.6 | 172.6 | 0 | 0 | 0 | 112.9 | F1037 I1053 V1077 E1078 Q1083 I1084 R1090 V1093 V1094 L1097 | F1037-L1081 HydrophobicContact CE1-CD1 3.93Å; F1037-L1081 HydrophobicContact CZ-CD1 4.12Å; I1053-L1081 HydrophobicContact CD1-CD2 4.3Å; I1053-L1081 HydrophobicContact CG2-CD2 4.5Å; V1077-L1081 HydrophobicContact CG1-CD1 4.35Å; V1077-L1081 PolarHBondContact O-N 3.47Å; E1078-L1081 PolarHBondContact O-N 3.41Å; L1081-Q1083 PolarHBondContact O-N 2.91Å; L1081-I1084 HydrophobicContact CD2-CD1 4.5Å; L1081-I1084 WeakPolarHBondContact O-CB 3.19Å; L1081-I1084 PolarHBondContact O-N 3.47Å; L1081-R1090 HydrophobicContact CB-CG 4.23Å; L1081-R1090 WeakPolarHBondContact O-CD 3.17Å; L1081-R1090 PolarHBondContact O-NE 3.03Å; L1081-R1090 VanDerWaalsContact O-NE 3.09Å; L1081-V1093 HydrophobicContact CD2-CG1 3.82Å; L1081-V1094 HydrophobicContact CD1-CG2 3.99Å; L1081-V1094 HydrophobicContact CD2-CG2 4.17Å; L1081-L1097 HydrophobicContact CD2-CD1 4.25Å |
| 1082 | N | 85.7 | Confident | 88.7 | Confident | 17 Ų | 17 | 20.7 Ų | 20.7 | 9% | 0.091 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -16.2 | 178.7 | -85.6 | -46.8 | 0 | 0 | 0 | 114.3 | R924 N1031 E1078 A1080 I1084 | R924-N1082 PolarHBondContact NH1-OD1 3.34Å; N1031-N1082 PolarHBondContact ND2-OD1 3.28Å; E1078-N1082 WeakPolarHBondContact O-CB 3.44Å; E1078-N1082 PolarHBondContact O-N 3.47Å; E1078-N1082 PolarHBondContact O-ND2 3.34Å; A1080-N1082 VanDerWaalsContact C-N 3.26Å; A1080-N1082 PolarHBondContact O-N 2.89Å; N1082-I1084 PolarHBondContact O-N 3.34Å |
| 1083 | Q | 84.8 | Confident | 89.1 | Confident | 106 Ų | 106 | 17.4 Ų | 17.4 | 50% | 0.495 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27.6 | 172.3 | -64.7 | -56.9 | -46.5 | 0 | 0 | 111.9 | E1054 A1080 L1081 P1085 | E1054-Q1083 HydrophobicContact CB-CB 3.98Å; A1080-Q1083 WeakPolarHBondContact O-CB 3.23Å; A1080-Q1083 PolarHBondContact O-N 3.23Å; L1081-Q1083 PolarHBondContact O-N 2.91Å; Q1083-P1085 WeakPolarHBondContact O-CD 3.37Å |
| 1084 | I | 86.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -70 | 115.2 | 174.7 | -63.5 | 161.1 | 0 | 0 | 0 | 108.1 | I1053 E1054 L1081 N1082 Q1086 Y1089 R1090 V1093 | I1053-I1084 HydrophobicContact CG2-CD1 3.87Å; I1053-I1084 HydrophobicContact CG2-CG1 4.35Å; E1054-I1084 HydrophobicContact CB-CG1 4.25Å; E1054-I1084 HydrophobicContact CG-CB 4.32Å; E1054-I1084 HydrophobicContact CG-CD1 4.45Å; E1054-I1084 HydrophobicContact CG-CG1 3.37Å; L1081-I1084 HydrophobicContact CD2-CD1 4.5Å; L1081-I1084 WeakPolarHBondContact O-CB 3.19Å; L1081-I1084 PolarHBondContact O-N 3.47Å; N1082-I1084 PolarHBondContact O-N 3.34Å; I1084-Q1086 WeakPolarHBondContact CG2-O 3.46Å; I1084-Y1089 HydrophobicContact CG1-CD1 4.46Å; I1084-Y1089 HydrophobicContact CG2-CD1 3.6Å; I1084-Y1089 HydrophobicContact CG2-CG 4.35Å; I1084-R1090 HydrophobicContact CB-CB 4.21Å; I1084-R1090 HydrophobicContact CB-CG 4.38Å; I1084-R1090 HydrophobicContact CD1-CB 4.36Å; I1084-R1090 HydrophobicContact CD1-CG 4.22Å; I1084-R1090 HydrophobicContact CG2-CB 3.88Å; I1084-R1090 PolarHBondContact O-NE 2.97Å; I1084-R1090 PolarHBondContact O-NH2 3.45Å; I1084-V1093 HydrophobicContact CD1-CB 3.91Å; I1084-V1093 HydrophobicContact CD1-CG1 4Å; I1084-V1093 HydrophobicContact CD1-CG2 3.72Å | ||
| 1085 | P | 80.9 | Confident | 89.6 | Confident | 50 Ų | 50 | 18.1 Ų | 18.1 | 33% | 0.325 | 9% | 0.093 | S | C | . | . | trans | -76.8 | -31.4 | -177.1 | 24.9 | -25.3 | 0 | 0 | 0 | 112.5 | Q1083 P1087 | Q1083-P1085 WeakPolarHBondContact O-CD 3.37Å; P1085-P1087 WeakPolarHBondContact O-CD 3.09Å | ||
| 1086 | Q | 85.9 | Confident | 89.9 | Confident | 23 Ų | 23 | 16.9 Ų | 16.9 | 11% | 0.107 | 9% | 0.086 | C | C | . | . | trans | -85.7 | 117.5 | -176.7 | -54.3 | 88.9 | -1.2 | 0 | 0 | 112.2 | I1084 E1088 Y1089 R1090 A1166 | I1084-Q1086 WeakPolarHBondContact CG2-O 3.46Å; Q1086-E1088 PolarHBondContact O-N 3.48Å; Q1086-Y1089 PolarHBondContact O-N 3.28Å; Q1086-R1090 PolarHBondContact O-N 2.99Å; Q1086-A1166 HydrophobicContact CB-CB 4.08Å; Q1086-A1166 HydrophobicContact CG-CB 3.95Å | ||
| 1087 | P | 86.6 | Confident | 90.2 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -54.2 | -46.3 | -178.7 | -31.7 | 39.7 | 0 | 0 | 0 | 114.9 | L686 R1025 G1028 A1029 P1085 Y1089 R1090 Q1091 | L686-P1087 HydrophobicContact CD1-CG 3.7Å; R1025-P1087 WeakPolarHBondContact O-CB 3.4Å; G1028-P1087 WeakPolarHBondContact CA-O 3.41Å; A1029-P1087 HydrophobicContact CB-CB 4.24Å; A1029-P1087 HydrophobicContact CB-CG 4.14Å; P1085-P1087 WeakPolarHBondContact O-CD 3.09Å; P1087-Y1089 VanDerWaalsContact C-N 3.33Å; P1087-Y1089 PolarHBondContact O-N 3.46Å; P1087-R1090 WeakPolarHBondContact O-CB 3.43Å; P1087-R1090 PolarHBondContact O-N 3.24Å; P1087-Q1091 PolarHBondContact O-N 3.01Å |
| 1088 | E | 88.4 | Confident | 90.2 | Very high | 13 Ų | 13 | 15.3 Ų | 15.3 | 6% | 0.061 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.2 | -35.8 | -178.9 | 55.3 | -95.2 | -120.4 | 0 | 0 | 112.8 | L1021 R1024 R1025 Q1086 Q1091 L1092 A1166 Y1174 | L1021-E1088 HydrophobicContact CD1-CB 4.08Å; L1021-E1088 HydrophobicContact CD1-CG 4.28Å; R1024-E1088 HydrophobicContact CB-CB 4.31Å; R1025-E1088 HydrophobicContact CG-CB 4.1Å; R1025-E1088 WeakPolarHBondContact CG-OE2 3.46Å; R1025-E1088 IonicContact CZ-OE1 2.71Å; R1025-E1088 IonicContact NE-OE1 2.81Å; R1025-E1088 PolarHBondContact NE-OE1 3.41Å; R1025-E1088 IonicContact NE-OE2 3.36Å; R1025-E1088 IonicContact NH2-OE1 3.73Å; R1025-E1088 PolarHBondContact NH2-OE1 3.43Å; Q1086-E1088 PolarHBondContact O-N 3.48Å; E1088-Q1091 PolarHBondContact O-N 2.88Å; E1088-L1092 PolarHBondContact O-N 2.95Å; E1088-A1166 HydrophobicContact CG-CB 4.3Å; E1088-Y1174 HydrophobicContact CB-CD1 3.83Å; E1088-Y1174 HydrophobicContact CB-CE1 3.92Å; E1088-Y1174 HydrophobicContact CB-CG 4.4Å; E1088-Y1174 HydrophobicContact CG-CD1 4.07Å; E1088-Y1174 HydrophobicContact CG-CE1 3.87Å; E1088-Y1174 HydrophobicContact CG-CE2 4.32Å; E1088-Y1174 HydrophobicContact CG-CG 4.39Å; E1088-Y1174 WeakPolarHBondContact O-CE1 3.49Å |
| 1089 | Y | 92.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -70.4 | -41.4 | 176.3 | -173 | -119.9 | 0 | 0 | 0 | 111.2 | E1054 I1084 Q1086 P1087 Q1091 L1092 V1093 V1122 A1167 I1169 Y1174 | E1054-Y1089 WeakPolarHBondContact OE1-CE1 3.06Å; I1084-Y1089 HydrophobicContact CG1-CD1 4.46Å; I1084-Y1089 HydrophobicContact CG2-CD1 3.6Å; I1084-Y1089 HydrophobicContact CG2-CG 4.35Å; Q1086-Y1089 PolarHBondContact O-N 3.28Å; P1087-Y1089 VanDerWaalsContact C-N 3.33Å; P1087-Y1089 PolarHBondContact O-N 3.46Å; Y1089-Q1091 PolarHBondContact O-N 2.87Å; Y1089-L1092 PolarHBondContact O-N 3.34Å; Y1089-V1093 HydrophobicContact CD1-CG2 4.49Å; Y1089-V1093 HydrophobicContact CE1-CG2 4.16Å; Y1089-V1093 PolarHBondContact O-N 3.21Å; Y1089-V1122 HydrophobicContact CD2-CG1 4.26Å; Y1089-V1122 HydrophobicContact CE2-CB 4.32Å; Y1089-V1122 HydrophobicContact CE2-CG1 3.61Å; Y1089-A1167 HydrophobicContact CD1-CB 3.83Å; Y1089-A1167 HydrophobicContact CD2-CB 3.64Å; Y1089-A1167 HydrophobicContact CE1-CB 4.09Å; Y1089-A1167 HydrophobicContact CE2-CB 3.86Å; Y1089-A1167 HydrophobicContact CG-CB 3.62Å; Y1089-I1169 HydrophobicContact CD2-CG1 4.04Å; Y1089-I1169 HydrophobicContact CE2-CD1 4.46Å; Y1089-I1169 HydrophobicContact CE2-CG1 3.91Å; Y1089-Y1174 WeakPolarHBondContact CB-OH 3.45Å; Y1089-Y1174 WeakPolarHBondContact CD2-OH 3.25Å |
| 1090 | R | 92.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.015 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -53.9 | -41.5 | 174.5 | -166.5 | -176 | -61 | 138.1 | 2.8 | 111.7 | G1028 N1031 L1081 I1084 Q1086 P1087 V1093 V1094 | G1028-R1090 PolarHBondContact O-NH1 3.15Å; N1031-R1090 WeakPolarHBondContact OD1-CD 3.3Å; N1031-R1090 PolarHBondContact OD1-NH1 3.3Å; L1081-R1090 HydrophobicContact CB-CG 4.23Å; L1081-R1090 WeakPolarHBondContact O-CD 3.17Å; L1081-R1090 PolarHBondContact O-NE 3.03Å; L1081-R1090 VanDerWaalsContact O-NE 3.09Å; I1084-R1090 HydrophobicContact CB-CB 4.21Å; I1084-R1090 HydrophobicContact CB-CG 4.38Å; I1084-R1090 HydrophobicContact CD1-CB 4.36Å; I1084-R1090 HydrophobicContact CD1-CG 4.22Å; I1084-R1090 HydrophobicContact CG2-CB 3.88Å; I1084-R1090 PolarHBondContact O-NE 2.97Å; I1084-R1090 PolarHBondContact O-NH2 3.45Å; Q1086-R1090 PolarHBondContact O-N 2.99Å; P1087-R1090 WeakPolarHBondContact O-CB 3.43Å; P1087-R1090 PolarHBondContact O-N 3.24Å; R1090-V1093 WeakPolarHBondContact O-CB 3.22Å; R1090-V1093 PolarHBondContact O-N 3.45Å; R1090-V1094 WeakPolarHBondContact O-CG2 3.43Å; R1090-V1094 PolarHBondContact O-N 2.51Å |
| 1091 | Q | 92.6 | Very high | 90.5 | Very high | 18 Ų | 18 | 14 Ų | 14 | 8% | 0.084 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.9 | -36.8 | 176.7 | -75.1 | -63.1 | -32 | 0 | 0 | 113.5 | R1024 D1027 R1032 P1087 E1088 Y1089 V1093 V1094 E1095 | R1024-Q1091 HydrophobicContact CB-CB 4.05Å; R1024-Q1091 HydrophobicContact CB-CG 4.35Å; R1024-Q1091 HydrophobicContact CG-CB 4.04Å; R1024-Q1091 WeakPolarHBondContact O-CG 3.41Å; D1027-Q1091 HydrophobicContact CB-CG 4.34Å; D1027-Q1091 PolarHBondContact O-NE2 3.16Å; R1032-Q1091 PolarHBondContact O-NE2 3.31Å; P1087-Q1091 PolarHBondContact O-N 3.01Å; E1088-Q1091 PolarHBondContact O-N 2.88Å; Y1089-Q1091 PolarHBondContact O-N 2.87Å; Q1091-V1093 VanDerWaalsContact C-N 3.29Å; Q1091-V1093 PolarHBondContact O-N 3.48Å; Q1091-V1094 WeakPolarHBondContact O-CB 3.37Å; Q1091-V1094 PolarHBondContact O-N 2.98Å; Q1091-E1095 WeakPolarHBondContact O-CG 3.44Å; Q1091-E1095 PolarHBondContact O-N 2.99Å |
| 1092 | L | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.1 | -33.8 | 172.8 | -68.2 | -171 | 0 | 0 | 0 | 112.4 | E1088 Y1089 E1095 A1096 V1122 I1169 Y1174 T1184 M1188 | E1088-L1092 PolarHBondContact O-N 2.95Å; Y1089-L1092 PolarHBondContact O-N 3.34Å; L1092-E1095 PolarHBondContact O-N 3.18Å; L1092-A1096 WeakPolarHBondContact O-CB 3.43Å; L1092-A1096 PolarHBondContact O-N 2.89Å; L1092-V1122 HydrophobicContact CB-CG1 4.03Å; L1092-V1122 HydrophobicContact CB-CG2 4.47Å; L1092-V1122 HydrophobicContact CD1-CG1 4.12Å; L1092-I1169 HydrophobicContact CD1-CG2 3.95Å; L1092-Y1174 HydrophobicContact CD1-CD1 3.54Å; L1092-Y1174 HydrophobicContact CD1-CE1 3.28Å; L1092-Y1174 HydrophobicContact CG-CD1 3.89Å; L1092-Y1174 HydrophobicContact CG-CE1 3.75Å; L1092-T1184 HydrophobicContact CD2-CG2 4.07Å; L1092-M1188 HydrophobicContact CB-CE 4.11Å; L1092-M1188 HydrophobicContact CD2-CE 4.4Å |
| 1093 | V | 94.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 173.2 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | I1053 L1081 I1084 Y1089 R1090 Q1091 A1096 L1097 V1118 V1122 | I1053-V1093 HydrophobicContact CG2-CG1 4.24Å; L1081-V1093 HydrophobicContact CD2-CG1 3.82Å; I1084-V1093 HydrophobicContact CD1-CB 3.91Å; I1084-V1093 HydrophobicContact CD1-CG1 4Å; I1084-V1093 HydrophobicContact CD1-CG2 3.72Å; Y1089-V1093 HydrophobicContact CD1-CG2 4.49Å; Y1089-V1093 HydrophobicContact CE1-CG2 4.16Å; Y1089-V1093 PolarHBondContact O-N 3.21Å; R1090-V1093 WeakPolarHBondContact O-CB 3.22Å; R1090-V1093 PolarHBondContact O-N 3.45Å; Q1091-V1093 VanDerWaalsContact C-N 3.29Å; Q1091-V1093 PolarHBondContact O-N 3.48Å; V1093-A1096 PolarHBondContact O-N 2.66Å; V1093-L1097 HydrophobicContact CG1-CD1 4.37Å; V1093-L1097 WeakPolarHBondContact O-CG 2.96Å; V1093-L1097 PolarHBondContact O-N 2.74Å; V1093-V1118 HydrophobicContact CG1-CB 4.42Å; V1093-V1118 HydrophobicContact CG1-CG1 3.78Å; V1093-V1122 HydrophobicContact CG2-CG2 4.17Å |
| 1094 | V | 94.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 2% | 0.018 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 172.6 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | V1033 P1034 F1037 L1081 R1090 Q1091 A1096 L1097 M1098 | V1033-V1094 HydrophobicContact CB-CG1 4.45Å; V1033-V1094 HydrophobicContact CG1-CG1 4.19Å; V1033-V1094 HydrophobicContact CG1-CG2 4.05Å; P1034-V1094 HydrophobicContact CG-CG1 4.46Å; F1037-V1094 HydrophobicContact CD2-CG1 4.18Å; F1037-V1094 HydrophobicContact CE2-CB 4.46Å; F1037-V1094 HydrophobicContact CE2-CG1 3.83Å; F1037-V1094 HydrophobicContact CZ-CG1 4.31Å; F1037-V1094 HydrophobicContact CZ-CG2 4.32Å; L1081-V1094 HydrophobicContact CD1-CG2 3.99Å; L1081-V1094 HydrophobicContact CD2-CG2 4.17Å; R1090-V1094 WeakPolarHBondContact O-CG2 3.43Å; R1090-V1094 PolarHBondContact O-N 2.51Å; Q1091-V1094 WeakPolarHBondContact O-CB 3.37Å; Q1091-V1094 PolarHBondContact O-N 2.98Å; V1094-A1096 PolarHBondContact O-N 2.93Å; V1094-L1097 PolarHBondContact O-N 2.9Å; V1094-M1098 WeakPolarHBondContact O-CG 3.35Å; V1094-M1098 PolarHBondContact O-N 3.17Å |
| 1095 | E | 94.4 | Very high | 90.1 | Very high | 19 Ų | 19 | 15.1 Ų | 15.1 | 9% | 0.089 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 175.1 | -73.8 | 178.4 | -160.4 | 0 | 0 | 112 | R1024 Q1091 L1092 M1098 V1099 T1184 M1185 | R1024-E1095 IonicContact CZ-OE1 2.8Å; R1024-E1095 IonicContact NE-OE1 2.97Å; R1024-E1095 PolarHBondContact NE-OE1 2.96Å; R1024-E1095 IonicContact NH2-OE1 3.72Å; R1024-E1095 PolarHBondContact NH2-OE1 3.18Å; R1024-E1095 IonicContact NH2-OE2 3.7Å; Q1091-E1095 WeakPolarHBondContact O-CG 3.44Å; Q1091-E1095 PolarHBondContact O-N 2.99Å; L1092-E1095 PolarHBondContact O-N 3.18Å; E1095-M1098 WeakPolarHBondContact O-CB 3.5Å; E1095-M1098 PolarHBondContact O-N 3.33Å; E1095-V1099 PolarHBondContact O-N 3.4Å; E1095-T1184 WeakPolarHBondContact OE2-CB 3.27Å; E1095-T1184 PolarHBondContact OE2-OG1 3.32Å; E1095-M1185 HydrophobicContact CB-SD 3.61Å; E1095-M1185 HydrophobicContact CG-SD 3.96Å |
| 1096 | A | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1092 V1093 V1094 M1098 V1099 L1100 V1118 V1122 M1188 | L1092-A1096 WeakPolarHBondContact O-CB 3.43Å; L1092-A1096 PolarHBondContact O-N 2.89Å; V1093-A1096 PolarHBondContact O-N 2.66Å; V1094-A1096 PolarHBondContact O-N 2.93Å; A1096-M1098 VanDerWaalsContact C-N 3.34Å; A1096-M1098 PolarHBondContact O-N 3.21Å; A1096-V1099 PolarHBondContact O-N 3.23Å; A1096-L1100 PolarHBondContact O-N 2.99Å; A1096-L1100 VanDerWaalsContact O-N 3.17Å; A1096-V1118 HydrophobicContact CB-CG1 3.88Å; A1096-V1122 HydrophobicContact CB-CG2 3.9Å; A1096-M1188 HydrophobicContact CB-CG 4.5Å; A1096-M1188 HydrophobicContact CB-SD 3.94Å |
| 1097 | L | 94.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 173.2 | -74.4 | 170.2 | 0 | 0 | 0 | 111.2 | F1037 V1041 L1051 I1053 L1081 V1093 V1094 V1099 L1100 T1101 V1118 | F1037-L1097 HydrophobicContact CE2-CB 3.92Å; F1037-L1097 HydrophobicContact CE2-CD1 4.26Å; F1037-L1097 HydrophobicContact CZ-CB 4.26Å; F1037-L1097 HydrophobicContact CZ-CD1 3.74Å; V1041-L1097 HydrophobicContact CG2-CB 4.43Å; L1051-L1097 HydrophobicContact CD1-CD2 4.07Å; L1051-L1097 HydrophobicContact CD2-CD2 4.31Å; I1053-L1097 HydrophobicContact CD1-CD1 4.1Å; L1081-L1097 HydrophobicContact CD2-CD1 4.25Å; V1093-L1097 HydrophobicContact CG1-CD1 4.37Å; V1093-L1097 WeakPolarHBondContact O-CG 2.96Å; V1093-L1097 PolarHBondContact O-N 2.74Å; V1094-L1097 PolarHBondContact O-N 2.9Å; L1097-V1099 VanDerWaalsContact C-N 3.31Å; L1097-V1099 PolarHBondContact O-N 3.3Å; L1097-L1100 HydrophobicContact CD2-CD1 4.35Å; L1097-L1100 WeakPolarHBondContact O-CB 3.45Å; L1097-L1100 PolarHBondContact O-N 3.12Å; L1097-T1101 WeakPolarHBondContact O-CG2 3.16Å; L1097-T1101 PolarHBondContact O-N 2.9Å; L1097-V1118 HydrophobicContact CD2-CG1 4.37Å; L1097-V1118 HydrophobicContact CD2-CG2 3.87Å; L1097-V1118 HydrophobicContact CG-CG1 4.18Å; L1097-V1118 HydrophobicContact CG-CG2 4.49Å |
| 1098 | M | 93.3 | Very high | 89 | Confident | 25 Ų | 25 | 29.4 Ų | 29.4 | 12% | 0.123 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.4 | -39.6 | 175.8 | -74.9 | -59.5 | -56.9 | 0 | 0 | 112.4 | P1034 F1037 V1094 E1095 A1096 L1100 T1101 L1102 M1185 | P1034-M1098 HydrophobicContact CB-CE 4.3Å; P1034-M1098 HydrophobicContact CB-SD 4.12Å; P1034-M1098 HydrophobicContact CG-CG 3.99Å; P1034-M1098 HydrophobicContact CG-SD 4.02Å; F1037-M1098 HydrophobicContact CD2-CG 4.18Å; F1037-M1098 HydrophobicContact CD2-SD 3.64Å; F1037-M1098 HydrophobicContact CE2-CG 4.46Å; F1037-M1098 HydrophobicContact CE2-SD 4.38Å; V1094-M1098 WeakPolarHBondContact O-CG 3.35Å; V1094-M1098 PolarHBondContact O-N 3.17Å; E1095-M1098 WeakPolarHBondContact O-CB 3.5Å; E1095-M1098 PolarHBondContact O-N 3.33Å; A1096-M1098 VanDerWaalsContact C-N 3.34Å; A1096-M1098 PolarHBondContact O-N 3.21Å; M1098-L1100 VanDerWaalsContact C-N 3.33Å; M1098-L1100 PolarHBondContact O-N 2.88Å; M1098-T1101 WeakPolarHBondContact O-CB 3.4Å; M1098-T1101 PolarHBondContact O-N 3.35Å; M1098-T1101 VanDerWaalsContact O-N 3.16Å; M1098-T1101 PolarHBondContact O-OG1 3.42Å; M1098-L1102 PolarHBondContact O-N 3.02Å; M1098-M1185 HydrophobicContact CB-CE 3.99Å |
| 1099 | V | 91.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 173.8 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | E1095 A1096 L1097 T1101 L1102 V1103 M1185 M1188 S1189 V1192 | E1095-V1099 PolarHBondContact O-N 3.4Å; A1096-V1099 PolarHBondContact O-N 3.23Å; L1097-V1099 VanDerWaalsContact C-N 3.31Å; L1097-V1099 PolarHBondContact O-N 3.3Å; V1099-T1101 VanDerWaalsContact C-N 3.26Å; V1099-T1101 PolarHBondContact O-N 3.44Å; V1099-L1102 WeakPolarHBondContact O-CB 3.43Å; V1099-L1102 PolarHBondContact O-N 3.11Å; V1099-V1103 PolarHBondContact O-N 2.98Å; V1099-M1185 HydrophobicContact CG2-CE 3.47Å; V1099-M1185 VanDerWaalsContact CG2-CE 3.47Å; V1099-M1185 HydrophobicContact CG2-SD 3.89Å; V1099-M1188 HydrophobicContact CB-CB 4.38Å; V1099-M1188 HydrophobicContact CG2-CB 3.72Å; V1099-S1189 WeakPolarHBondContact CG1-OG 3.44Å; V1099-V1192 HydrophobicContact CG1-CB 4.24Å; V1099-V1192 HydrophobicContact CG1-CG2 3.85Å |
| 1100 | L | 91.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -36.2 | 174.4 | -66.8 | 172.5 | 0 | 0 | 0 | 111.9 | V1044 L1051 A1096 L1097 M1098 L1102 V1103 T1104 I1116 L1121 V1192 L1196 | V1044-L1100 HydrophobicContact CG1-CB 4.03Å; V1044-L1100 HydrophobicContact CG1-CD1 4.47Å; V1044-L1100 HydrophobicContact CG2-CB 4.22Å; L1051-L1100 HydrophobicContact CD2-CD1 4.28Å; A1096-L1100 PolarHBondContact O-N 2.99Å; A1096-L1100 VanDerWaalsContact O-N 3.17Å; L1097-L1100 HydrophobicContact CD2-CD1 4.35Å; L1097-L1100 WeakPolarHBondContact O-CB 3.45Å; L1097-L1100 PolarHBondContact O-N 3.12Å; M1098-L1100 VanDerWaalsContact C-N 3.33Å; M1098-L1100 PolarHBondContact O-N 2.88Å; L1100-L1102 VanDerWaalsContact C-N 3.31Å; L1100-L1102 PolarHBondContact O-N 3.41Å; L1100-V1103 WeakPolarHBondContact O-CB 3.41Å; L1100-V1103 PolarHBondContact O-N 2.9Å; L1100-T1104 PolarHBondContact O-N 3.26Å; L1100-I1116 HydrophobicContact CD1-CD1 4.47Å; L1100-I1116 HydrophobicContact CD1-CG2 4.19Å; L1100-L1121 HydrophobicContact CD1-CD1 3.95Å; L1100-L1121 HydrophobicContact CD2-CD1 4.15Å; L1100-L1121 HydrophobicContact CG-CD1 4.19Å; L1100-V1192 HydrophobicContact CD2-CG1 3.98Å; L1100-V1192 HydrophobicContact CD2-CG2 3.99Å; L1100-V1192 HydrophobicContact CG-CG2 4.5Å; L1100-L1196 HydrophobicContact CD2-CD1 3.89Å |
| 1101 | T | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 176.6 | 70.7 | 0 | 0 | 0 | 0 | 111.7 | R1040 V1044 L1097 M1098 V1099 V1103 T1104 E1105 | R1040-T1101 HydrophobicContact CB-CG2 3.47Å; R1040-T1101 VanDerWaalsContact CB-CG2 3.47Å; V1044-T1101 HydrophobicContact CG2-CG2 3.69Å; L1097-T1101 WeakPolarHBondContact O-CG2 3.16Å; L1097-T1101 PolarHBondContact O-N 2.9Å; M1098-T1101 WeakPolarHBondContact O-CB 3.4Å; M1098-T1101 PolarHBondContact O-N 3.35Å; M1098-T1101 VanDerWaalsContact O-N 3.16Å; M1098-T1101 PolarHBondContact O-OG1 3.42Å; V1099-T1101 VanDerWaalsContact C-N 3.26Å; V1099-T1101 PolarHBondContact O-N 3.44Å; T1101-V1103 VanDerWaalsContact C-N 3.31Å; T1101-V1103 PolarHBondContact O-N 2.89Å; T1101-T1104 PolarHBondContact O-N 3.5Å; T1101-T1104 PolarHBondContact O-OG1 3.23Å; T1101-E1105 WeakPolarHBondContact O-CB 3.24Å; T1101-E1105 WeakPolarHBondContact O-CG 3.4Å; T1101-E1105 PolarHBondContact O-N 2.87Å |
| 1102 | L | 86.9 | Confident | 86.7 | Confident | 56 Ų | 56 | 37.7 Ų | 37.7 | 29% | 0.293 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 177.5 | -63.8 | 173.7 | 0 | 0 | 0 | 112.2 | M1098 V1099 L1100 T1104 H1106 | M1098-L1102 PolarHBondContact O-N 3.02Å; V1099-L1102 WeakPolarHBondContact O-CB 3.43Å; V1099-L1102 PolarHBondContact O-N 3.11Å; L1100-L1102 VanDerWaalsContact C-N 3.31Å; L1100-L1102 PolarHBondContact O-N 3.41Å; L1102-T1104 VanDerWaalsContact C-N 3.27Å; L1102-T1104 PolarHBondContact O-N 3.02Å; L1102-H1106 WeakPolarHBondContact O-CB 3.33Å; L1102-H1106 PolarHBondContact O-CD2 3.42Å; L1102-H1106 VanDerWaalsContact O-CD2 3.28Å; L1102-H1106 PolarHBondContact O-N 3.19Å; L1102-H1106 VanDerWaalsContact O-N 3.15Å |
| 1103 | V | 84.3 | Confident | 86.2 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 176 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | V1099 L1100 T1101 M1108 V1109 L1112 V1192 | V1099-V1103 PolarHBondContact O-N 2.98Å; L1100-V1103 WeakPolarHBondContact O-CB 3.41Å; L1100-V1103 PolarHBondContact O-N 2.9Å; T1101-V1103 VanDerWaalsContact C-N 3.31Å; T1101-V1103 PolarHBondContact O-N 2.89Å; V1103-M1108 HydrophobicContact CG1-CB 4.18Å; V1103-M1108 PolarHBondContact O-N 3.44Å; V1103-V1109 HydrophobicContact CG1-CG2 4.04Å; V1103-L1112 HydrophobicContact CG1-CD2 3.94Å; V1103-V1192 HydrophobicContact CG2-CG1 4.04Å |
| 1104 | T | 84.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -78 | -39.8 | -179 | 60.1 | 0 | 0 | 0 | 0 | 114.3 | V1044 K1047 L1100 T1101 L1102 H1106 N1107 L1112 | V1044-T1104 HydrophobicContact CB-CG2 4.47Å; V1044-T1104 HydrophobicContact CG2-CG2 4.04Å; K1047-T1104 HydrophobicContact CB-CG2 4.49Å; K1047-T1104 HydrophobicContact CD-CG2 3.84Å; K1047-T1104 PolarHBondContact NZ-O 3.44Å; L1100-T1104 PolarHBondContact O-N 3.26Å; T1101-T1104 PolarHBondContact O-N 3.5Å; T1101-T1104 PolarHBondContact O-OG1 3.23Å; L1102-T1104 VanDerWaalsContact C-N 3.27Å; L1102-T1104 PolarHBondContact O-N 3.02Å; T1104-H1106 VanDerWaalsContact C-N 3.35Å; T1104-N1107 PolarHBondContact O-N 2.97Å; T1104-N1107 VanDerWaalsContact O-N 3.1Å; T1104-N1107 PolarHBondContact O-OD1 3.38Å; T1104-L1112 HydrophobicContact CG2-CD1 3.74Å; T1104-L1112 HydrophobicContact CG2-CG 4.33Å |
| 1105 | E | 83.6 | Confident | 85.6 | Confident | 81 Ų | 81 | 43.2 Ų | 43.2 | 38% | 0.379 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 178.7 | -76 | 178.4 | -178.2 | 0 | 0 | 111.3 | R1040 T1101 N1107 | R1040-E1105 WeakPolarHBondContact CD-OE1 3.46Å; R1040-E1105 WeakPolarHBondContact CG-OE1 3.3Å; R1040-E1105 IonicContact CZ-OE1 3.28Å; R1040-E1105 IonicContact NE-OE1 2.81Å; R1040-E1105 PolarHBondContact NE-OE1 3.4Å; R1040-E1105 IonicContact NH1-OE1 2.79Å; R1040-E1105 PolarHBondContact NH1-OE1 3.29Å; R1040-E1105 IonicContact NH1-OE2 2.94Å; R1040-E1105 PolarHBondContact NH1-OE2 3.38Å; T1101-E1105 WeakPolarHBondContact O-CB 3.24Å; T1101-E1105 WeakPolarHBondContact O-CG 3.4Å; T1101-E1105 PolarHBondContact O-N 2.87Å; E1105-N1107 PolarHBondContact O-N 3.16Å |
| 1106 | H | 82.3 | Confident | 85.5 | Confident | 128 Ų | 128 | 42.8 Ų | 42.8 | 59% | 0.593 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 4.2 | 176.3 | -71.9 | -64.5 | 0 | 0 | 0 | 113.8 | L1102 T1104 M1108 | L1102-H1106 WeakPolarHBondContact O-CB 3.33Å; L1102-H1106 PolarHBondContact O-CD2 3.42Å; L1102-H1106 VanDerWaalsContact O-CD2 3.28Å; L1102-H1106 PolarHBondContact O-N 3.19Å; L1102-H1106 VanDerWaalsContact O-N 3.15Å; T1104-H1106 VanDerWaalsContact C-N 3.35Å; H1106-M1108 HydrophobicContact CB-CE 4.23Å; H1106-M1108 HydrophobicContact CB-CG 3.95Å; H1106-M1108 PolarHBondContact O-N 3.39Å; H1106-M1108 VanDerWaalsContact O-N 3.1Å |
| 1107 | N | 75.3 | Confident | 85.5 | Confident | 118 Ų | 118 | 48.9 Ų | 48.9 | 63% | 0.631 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 38.5 | -178.1 | -72.2 | -49.2 | 0 | 0 | 0 | 113.1 | K1047 T1104 E1105 V1109 | K1047-N1107 PolarHBondContact NZ-OD1 3.17Å; T1104-N1107 PolarHBondContact O-N 2.97Å; T1104-N1107 VanDerWaalsContact O-N 3.1Å; T1104-N1107 PolarHBondContact O-OD1 3.38Å; E1105-N1107 PolarHBondContact O-N 3.16Å; N1107-V1109 PolarHBondContact O-N 2.95Å |
| 1108 | M | 73.9 | Confident | 85.4 | Confident | 130 Ų | 130 | 48.8 Ų | 48.8 | 64% | 0.64 | 27% | 0.273 | S | S | * | . | trans | -63 | -29.7 | -177.3 | -67.7 | -174.1 | 163.8 | 0 | 0 | 112.1 | V1103 H1106 | V1103-M1108 HydrophobicContact CG1-CB 4.18Å; V1103-M1108 PolarHBondContact O-N 3.44Å; H1106-M1108 HydrophobicContact CB-CE 4.23Å; H1106-M1108 HydrophobicContact CB-CG 3.95Å; H1106-M1108 PolarHBondContact O-N 3.39Å; H1106-M1108 VanDerWaalsContact O-N 3.1Å | ||
| 1109 | V | 76.4 | Confident | 85.3 | Confident | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | trans | -139.3 | 148.9 | 179.4 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | V1103 N1107 L1112 C1198 | V1103-V1109 HydrophobicContact CG1-CG2 4.04Å; N1107-V1109 PolarHBondContact O-N 2.95Å; V1109-L1112 HydrophobicContact CG2-CD2 3.74Å; V1109-L1112 HydrophobicContact CG2-CG 4.48Å; V1109-C1198 HydrophobicContact CB-CB 4.27Å; V1109-C1198 HydrophobicContact CG1-CB 3.95Å; V1109-C1198 WeakPolarHBondContact CG1-O 3.26Å; V1109-C1198 HydrophobicContact CG2-CB 4.48Å | ||
| 1110 | P | 74.1 | Confident | 85.3 | Confident | 132 Ų | 132 | 51.3 Ų | 51.3 | 86% | 0.857 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -73.4 | -29.9 | 177.8 | 27.6 | -33.5 | 0 | 0 | 0 | 113.4 | ||
| 1111 | S | 82.7 | Confident | 85.4 | Confident | 59 Ų | 59 | 51.3 Ų | 51.3 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | trans | -149.6 | 146.2 | 174.2 | 174 | 0 | 0 | 0 | 0 | 109.6 | K1047 G1113 | K1047-S1111 PolarHBondContact O-OG 3.26Å; S1111-G1113 VanDerWaalsContact C-N 3.32Å; S1111-G1113 PolarHBondContact OG-N 3.09Å; S1111-G1113 VanDerWaalsContact OG-N 3.13Å | ||
| 1112 | L | 83.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | trans | -86.3 | -3.9 | 174.5 | -61.1 | 169.9 | 0 | 0 | 0 | 112.5 | V1044 K1047 C1048 V1103 T1104 V1109 I1116 L1196 | V1044-L1112 HydrophobicContact CG1-CD1 3.82Å; K1047-L1112 HydrophobicContact CB-CD1 4.28Å; K1047-L1112 HydrophobicContact CB-CG 4.22Å; K1047-L1112 PolarHBondContact O-N 2.61Å; C1048-L1112 HydrophobicContact CB-CB 4.06Å; V1103-L1112 HydrophobicContact CG1-CD2 3.94Å; T1104-L1112 HydrophobicContact CG2-CD1 3.74Å; T1104-L1112 HydrophobicContact CG2-CG 4.33Å; V1109-L1112 HydrophobicContact CG2-CD2 3.74Å; V1109-L1112 HydrophobicContact CG2-CG 4.48Å; L1112-I1116 HydrophobicContact CB-CD1 3.87Å; L1112-I1116 HydrophobicContact CD1-CD1 3.97Å; L1112-I1116 HydrophobicContact CG-CD1 4.49Å; L1112-L1196 HydrophobicContact CD2-CD1 3.91Å | ||
| 1113 | G | 83.4 | Confident | 85.9 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 36% | 0.361 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.8 | -136.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1048 Q1049 S1111 | C1048-G1113 WeakPolarHBondContact CA-O 3.5Å; Q1049-G1113 PolarHBondContact N-O 3.34Å; Q1049-G1113 VanDerWaalsContact N-O 3.12Å; S1111-G1113 VanDerWaalsContact C-N 3.32Å; S1111-G1113 PolarHBondContact OG-N 3.09Å; S1111-G1113 VanDerWaalsContact OG-N 3.13Å |
| 1114 | G | 87.1 | Confident | 86.4 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | -157.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1049 I1116 | Q1049-G1114 PolarHBondContact N-O 3.01Å; G1114-I1116 PolarHBondContact O-N 3.23Å |
| 1115 | V | 90.8 | Very high | 86.8 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 123.7 | 174 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | Q1049 G1050 A1052 V1057 Y1117 | Q1049-V1115 HydrophobicContact CB-CG2 4.24Å; G1050-V1115 WeakPolarHBondContact O-CA 3.27Å; A1052-V1115 HydrophobicContact CB-CG1 3.87Å; V1057-V1115 HydrophobicContact CG1-CG1 4.16Å; V1115-Y1117 HydrophobicContact CB-CE2 4.5Å; V1115-Y1117 HydrophobicContact CG1-CE2 4.38Å |
| 1116 | I | 92.3 | Very high | 87.3 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.046 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 119.3 | 178.3 | -54.3 | 172.4 | 0 | 0 | 0 | 108.6 | C1048 G1050 L1051 A1052 L1100 L1112 G1114 V1118 L1121 L1196 | C1048-I1116 HydrophobicContact CB-CD1 3.97Å; C1048-I1116 HydrophobicContact CB-CG1 4.3Å; G1050-I1116 PolarHBondContact O-N 3.11Å; L1051-I1116 HydrophobicContact CD2-CB 4.14Å; L1051-I1116 HydrophobicContact CD2-CD1 4.29Å; A1052-I1116 PolarHBondContact N-O 2.81Å; L1100-I1116 HydrophobicContact CD1-CD1 4.47Å; L1100-I1116 HydrophobicContact CD1-CG2 4.19Å; L1112-I1116 HydrophobicContact CB-CD1 3.87Å; L1112-I1116 HydrophobicContact CD1-CD1 3.97Å; L1112-I1116 HydrophobicContact CG-CD1 4.49Å; G1114-I1116 PolarHBondContact O-N 3.23Å; I1116-V1118 PolarHBondContact O-N 3.49Å; I1116-L1121 HydrophobicContact CG2-CD1 4.07Å; I1116-L1196 HydrophobicContact CD1-CD2 4.32Å; I1116-L1196 HydrophobicContact CG1-CD2 4.3Å; I1116-L1196 HydrophobicContact CG2-CD2 4.45Å |
| 1117 | Y | 93.2 | Very high | 87.7 | Confident | 129 Ų | 129 | 47.2 Ų | 47.2 | 51% | 0.506 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 102.8 | 174.3 | -63.8 | -93.7 | 0 | 0 | 0 | 109.2 | A1052 V1115 E1119 H1120 | A1052-Y1117 HydrophobicContact CB-CD1 3.75Å; A1052-Y1117 HydrophobicContact CB-CE1 4.05Å; A1052-Y1117 HydrophobicContact CB-CG 4.31Å; V1115-Y1117 HydrophobicContact CB-CE2 4.5Å; V1115-Y1117 HydrophobicContact CG1-CE2 4.38Å; Y1117-E1119 VanDerWaalsContact C-N 3.3Å; Y1117-E1119 PolarHBondContact O-N 2.64Å; Y1117-H1120 WeakPolarHBondContact O-CB 3.31Å; Y1117-H1120 PolarHBondContact O-N 3.28Å; Y1117-H1120 VanDerWaalsContact O-N 3.13Å |
| 1118 | V | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | -172.1 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | L1051 A1052 I1053 V1093 A1096 L1097 I1116 H1120 L1121 V1122 | L1051-V1118 HydrophobicContact CD2-CG2 4.45Å; A1052-V1118 PolarHBondContact O-N 3.38Å; A1052-V1118 VanDerWaalsContact O-N 3.09Å; I1053-V1118 HydrophobicContact CG1-CB 4.49Å; I1053-V1118 HydrophobicContact CG1-CG2 4.11Å; V1093-V1118 HydrophobicContact CG1-CB 4.42Å; V1093-V1118 HydrophobicContact CG1-CG1 3.78Å; A1096-V1118 HydrophobicContact CB-CG1 3.88Å; L1097-V1118 HydrophobicContact CD2-CG1 4.37Å; L1097-V1118 HydrophobicContact CD2-CG2 3.87Å; L1097-V1118 HydrophobicContact CG-CG1 4.18Å; L1097-V1118 HydrophobicContact CG-CG2 4.49Å; I1116-V1118 PolarHBondContact O-N 3.49Å; V1118-H1120 PolarHBondContact O-N 3.29Å; V1118-L1121 WeakPolarHBondContact O-CB 3.42Å; V1118-L1121 PolarHBondContact O-N 3.38Å; V1118-L1121 VanDerWaalsContact O-N 3.1Å; V1118-V1122 PolarHBondContact O-N 2.78Å |
| 1119 | E | 90.9 | Very high | 89.4 | Confident | 30 Ų | 30 | 36 Ų | 36 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.2 | -41.4 | 173.1 | -60.4 | 141.6 | -158 | 0 | 0 | 111.8 | E1054 Y1117 L1121 V1122 H1123 | E1054-E1119 WeakPolarHBondContact CA-OE1 3.47Å; E1054-E1119 PolarHBondContact N-OE1 3.19Å; Y1117-E1119 VanDerWaalsContact C-N 3.3Å; Y1117-E1119 PolarHBondContact O-N 2.64Å; E1119-L1121 VanDerWaalsContact C-N 3.26Å; E1119-L1121 PolarHBondContact O-N 3.03Å; E1119-V1122 PolarHBondContact O-N 3.19Å; E1119-V1122 VanDerWaalsContact O-N 3.13Å; E1119-H1123 PolarHBondContact O-CD2 3.29Å; E1119-H1123 PolarHBondContact O-N 3.02Å |
| 1120 | H | 91.3 | Very high | 90 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 24% | 0.236 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -36.4 | -178.2 | -173.6 | 60.3 | 0 | 0 | 0 | 111.2 | W707 Y1117 V1118 K1124 | W707-H1120 AromaticContact CD2-ND1 3.63Å; W707-H1120 AromaticContact CE3-CE1 3.96Å; W707-H1120 AromaticContact CE3-ND1 3.31Å; W707-H1120 VanDerWaalsContact CE3-ND1 3.31Å; W707-H1120 AromaticContact CZ3-ND1 3.86Å; Y1117-H1120 WeakPolarHBondContact O-CB 3.31Å; Y1117-H1120 PolarHBondContact O-N 3.28Å; Y1117-H1120 VanDerWaalsContact O-N 3.13Å; V1118-H1120 PolarHBondContact O-N 3.29Å; H1120-K1124 WeakPolarHBondContact O-CB 3.24Å; H1120-K1124 PolarHBondContact O-N 3.11Å |
| 1121 | L | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 174 | -59 | 174.5 | 0 | 0 | 0 | 111.1 | L1100 I1116 V1118 E1119 K1124 A1125 A1191 V1192 V1195 | L1100-L1121 HydrophobicContact CD1-CD1 3.95Å; L1100-L1121 HydrophobicContact CD2-CD1 4.15Å; L1100-L1121 HydrophobicContact CG-CD1 4.19Å; I1116-L1121 HydrophobicContact CG2-CD1 4.07Å; V1118-L1121 WeakPolarHBondContact O-CB 3.42Å; V1118-L1121 PolarHBondContact O-N 3.38Å; V1118-L1121 VanDerWaalsContact O-N 3.1Å; E1119-L1121 VanDerWaalsContact C-N 3.26Å; E1119-L1121 PolarHBondContact O-N 3.03Å; L1121-K1124 PolarHBondContact O-N 3.25Å; L1121-A1125 WeakPolarHBondContact O-CB 3.29Å; L1121-A1125 PolarHBondContact O-N 2.89Å; L1121-A1191 WeakPolarHBondContact O-CB 3.14Å; L1121-V1192 HydrophobicContact CD1-CG2 3.92Å; L1121-V1192 HydrophobicContact CD2-CG2 3.93Å; L1121-V1192 HydrophobicContact CG-CG2 4.43Å; L1121-V1195 HydrophobicContact CD2-CB 3.74Å; L1121-V1195 HydrophobicContact CD2-CG1 3.74Å; L1121-V1195 HydrophobicContact CD2-CG2 4.09Å |
| 1122 | V | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 179.3 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | Y1089 L1092 V1093 A1096 V1118 E1119 K1124 A1125 N1126 I1169 M1188 | Y1089-V1122 HydrophobicContact CD2-CG1 4.26Å; Y1089-V1122 HydrophobicContact CE2-CB 4.32Å; Y1089-V1122 HydrophobicContact CE2-CG1 3.61Å; L1092-V1122 HydrophobicContact CB-CG1 4.03Å; L1092-V1122 HydrophobicContact CB-CG2 4.47Å; L1092-V1122 HydrophobicContact CD1-CG1 4.12Å; V1093-V1122 HydrophobicContact CG2-CG2 4.17Å; A1096-V1122 HydrophobicContact CB-CG2 3.9Å; V1118-V1122 PolarHBondContact O-N 2.78Å; E1119-V1122 PolarHBondContact O-N 3.19Å; E1119-V1122 VanDerWaalsContact O-N 3.13Å; V1122-K1124 VanDerWaalsContact C-N 3.35Å; V1122-K1124 PolarHBondContact O-N 3.35Å; V1122-A1125 WeakPolarHBondContact O-CB 3.48Å; V1122-A1125 PolarHBondContact O-N 3.21Å; V1122-N1126 PolarHBondContact O-N 3.03Å; V1122-I1169 HydrophobicContact CG1-CD1 3.96Å; V1122-I1169 HydrophobicContact CG1-CG1 4.25Å; V1122-M1188 HydrophobicContact CB-CE 4.14Å; V1122-M1188 HydrophobicContact CG1-CE 4.02Å; V1122-M1188 HydrophobicContact CG2-CE 3.86Å; V1122-M1188 HydrophobicContact CG2-SD 4.22Å |
| 1123 | H | 93.4 | Very high | 91.2 | Very high | 45 Ų | 45 | 32.1 Ų | 32.1 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 176.7 | -77.1 | -71.8 | 0 | 0 | 0 | 112.4 | W707 E1119 N1126 Q1127 A1167 | W707-H1123 AromaticContact CH2-CD2 3.72Å; W707-H1123 HydrophobicContact CZ3-CB 4.3Å; E1119-H1123 PolarHBondContact O-CD2 3.29Å; E1119-H1123 PolarHBondContact O-N 3.02Å; H1123-N1126 PolarHBondContact O-N 3.26Å; H1123-Q1127 PolarHBondContact O-N 3.14Å; H1123-A1167 PolarHBondContact CE1-O 3.21Å |
| 1124 | K | 93.1 | Very high | 91.4 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 23% | 0.226 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.3 | -40.3 | 176.3 | -171.6 | 68.8 | -174.6 | 172.8 | 0 | 111.5 | H1120 L1121 V1122 N1126 Q1127 L1128 A1191 V1195 | H1120-K1124 WeakPolarHBondContact O-CB 3.24Å; H1120-K1124 PolarHBondContact O-N 3.11Å; L1121-K1124 PolarHBondContact O-N 3.25Å; V1122-K1124 VanDerWaalsContact C-N 3.35Å; V1122-K1124 PolarHBondContact O-N 3.35Å; K1124-N1126 VanDerWaalsContact C-N 3.35Å; K1124-Q1127 WeakPolarHBondContact O-CB 3.43Å; K1124-Q1127 PolarHBondContact O-N 3.08Å; K1124-L1128 WeakPolarHBondContact O-CG 3.42Å; K1124-L1128 PolarHBondContact O-N 2.86Å; K1124-A1191 HydrophobicContact CB-CB 3.97Å; K1124-A1191 HydrophobicContact CG-CB 4.05Å; K1124-V1195 HydrophobicContact CB-CG2 4.19Å; K1124-V1195 HydrophobicContact CG-CG2 3.97Å |
| 1125 | A | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1121 V1122 Q1127 L1128 F1129 M1188 A1191 | L1121-A1125 WeakPolarHBondContact O-CB 3.29Å; L1121-A1125 PolarHBondContact O-N 2.89Å; V1122-A1125 WeakPolarHBondContact O-CB 3.48Å; V1122-A1125 PolarHBondContact O-N 3.21Å; A1125-Q1127 VanDerWaalsContact C-N 3.34Å; A1125-Q1127 PolarHBondContact O-N 2.91Å; A1125-L1128 PolarHBondContact O-N 3.06Å; A1125-F1129 WeakPolarHBondContact O-CB 3.46Å; A1125-F1129 PolarHBondContact O-N 3.42Å; A1125-M1188 HydrophobicContact CB-CE 4.11Å; A1125-M1188 HydrophobicContact CB-CG 4.36Å; A1125-M1188 HydrophobicContact CB-SD 3.46Å; A1125-M1188 WeakPolarHBondContact CB-SD 3.23Å; A1125-A1191 HydrophobicContact CB-CB 4.02Å |
| 1126 | N | 93.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 174.7 | -179.5 | 62.8 | 0 | 0 | 0 | 112.8 | V1122 H1123 K1124 F1129 L1130 I1169 C1170 L1173 | V1122-N1126 PolarHBondContact O-N 3.03Å; H1123-N1126 PolarHBondContact O-N 3.26Å; K1124-N1126 VanDerWaalsContact C-N 3.35Å; N1126-F1129 PolarHBondContact O-N 3.21Å; N1126-L1130 VanDerWaalsContact O-CG 3.29Å; N1126-L1130 WeakPolarHBondContact O-CG 3.5Å; N1126-L1130 PolarHBondContact O-N 2.97Å; N1126-I1169 HydrophobicContact CB-CD1 3.71Å; N1126-I1169 HydrophobicContact CB-CG2 4.26Å; N1126-C1170 WeakPolarHBondContact OD1-CB 3.39Å; N1126-C1170 PolarHBondContact OD1-N 3.38Å; N1126-C1170 VanDerWaalsContact OD1-N 3.12Å; N1126-L1173 HydrophobicContact CB-CD2 3.65Å |
| 1127 | Q | 91.8 | Very high | 90.7 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 39% | 0.393 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60 | -49.1 | 173.6 | -173.3 | -169.4 | -7.1 | 0 | 0 | 111.3 | H1123 K1124 A1125 F1129 L1130 E1131 | H1123-Q1127 PolarHBondContact O-N 3.14Å; K1124-Q1127 WeakPolarHBondContact O-CB 3.43Å; K1124-Q1127 PolarHBondContact O-N 3.08Å; A1125-Q1127 VanDerWaalsContact C-N 3.34Å; A1125-Q1127 PolarHBondContact O-N 2.91Å; Q1127-F1129 VanDerWaalsContact C-N 3.32Å; Q1127-F1129 PolarHBondContact O-N 2.79Å; Q1127-L1130 PolarHBondContact O-N 2.85Å; Q1127-E1131 WeakPolarHBondContact CG-OE1 3.29Å; Q1127-E1131 PolarHBondContact NE2-OE1 2.87Å; Q1127-E1131 WeakPolarHBondContact O-CG 3.37Å; Q1127-E1131 PolarHBondContact O-N 3.43Å |
| 1128 | L | 90.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 179 | -66.6 | 170.6 | 0 | 0 | 0 | 111.9 | K1124 A1125 E1131 D1132 Y1187 R1190 A1191 L1194 | K1124-L1128 WeakPolarHBondContact O-CG 3.42Å; K1124-L1128 PolarHBondContact O-N 2.86Å; A1125-L1128 PolarHBondContact O-N 3.06Å; L1128-E1131 PolarHBondContact O-N 2.89Å; L1128-D1132 PolarHBondContact O-N 2.93Å; L1128-Y1187 HydrophobicContact CB-CD1 3.8Å; L1128-Y1187 HydrophobicContact CB-CE1 4.23Å; L1128-R1190 HydrophobicContact CD1-CB 3.77Å; L1128-A1191 HydrophobicContact CD1-CB 4.43Å; L1128-L1194 HydrophobicContact CD1-CD1 4.06Å; L1128-L1194 HydrophobicContact CD2-CD1 4.07Å |
| 1129 | F | 92.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 173.7 | 171.1 | -103 | 0 | 0 | 0 | 111.4 | A1125 N1126 Q1127 E1131 D1132 Q1133 A1140 C1170 H1172 L1173 Y1187 | A1125-F1129 WeakPolarHBondContact O-CB 3.46Å; A1125-F1129 PolarHBondContact O-N 3.42Å; N1126-F1129 PolarHBondContact O-N 3.21Å; Q1127-F1129 VanDerWaalsContact C-N 3.32Å; Q1127-F1129 PolarHBondContact O-N 2.79Å; F1129-E1131 VanDerWaalsContact C-N 3.3Å; F1129-E1131 PolarHBondContact O-N 3.44Å; F1129-D1132 PolarHBondContact O-N 2.81Å; F1129-Q1133 HydrophobicContact CD1-CG 4.08Å; F1129-Q1133 HydrophobicContact CD2-CG 3.93Å; F1129-Q1133 HydrophobicContact CE1-CG 3.79Å; F1129-Q1133 HydrophobicContact CE2-CG 3.64Å; F1129-Q1133 HydrophobicContact CG-CG 4.15Å; F1129-Q1133 HydrophobicContact CZ-CG 3.57Å; F1129-Q1133 WeakPolarHBondContact O-CB 3.42Å; F1129-Q1133 WeakPolarHBondContact O-CG 3.44Å; F1129-Q1133 PolarHBondContact O-N 2.75Å; F1129-A1140 HydrophobicContact CE1-CB 3.78Å; F1129-A1140 HydrophobicContact CZ-CB 4.21Å; F1129-C1170 HydrophobicContact CE1-CB 4.44Å; F1129-H1172 HydrophobicContact CE1-CB 4.27Å; F1129-H1172 HydrophobicContact CZ-CB 4.08Å; F1129-L1173 HydrophobicContact CB-CD1 3.94Å; F1129-L1173 HydrophobicContact CD1-CB 3.9Å; F1129-L1173 HydrophobicContact CD1-CD1 4.11Å; F1129-L1173 HydrophobicContact CD1-CG 4.46Å; F1129-L1173 HydrophobicContact CD2-CD1 3.77Å; F1129-L1173 HydrophobicContact CE1-CB 3.91Å; F1129-L1173 HydrophobicContact CE2-CD1 4.25Å; F1129-L1173 HydrophobicContact CG-CB 4.37Å; F1129-L1173 HydrophobicContact CG-CD1 3.68Å; F1129-L1173 HydrophobicContact CG-CG 4.48Å; F1129-L1173 HydrophobicContact CZ-CB 4.38Å; F1129-Y1187 VanDerWaalsContact CA-CE1 3.48Å; F1129-Y1187 HydrophobicContact CB-CD1 4.18Å; F1129-Y1187 HydrophobicContact CB-CD2 4.16Å; F1129-Y1187 HydrophobicContact CB-CE1 4.14Å; F1129-Y1187 HydrophobicContact CB-CE2 4.13Å; F1129-Y1187 HydrophobicContact CB-CG 4.2Å; F1129-Y1187 HydrophobicContact CD2-CD2 4.11Å; F1129-Y1187 AromaticContact CD2-CE2 3.58Å; F1129-Y1187 HydrophobicContact CD2-CE2 3.58Å; F1129-Y1187 AromaticContact CD2-CZ 3.99Å; F1129-Y1187 HydrophobicContact CG-CE2 4.35Å |
| 1130 | L | 89.3 | Confident | 89.2 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 12% | 0.12 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -35.4 | 179.4 | -67.2 | 175.4 | 0 | 0 | 0 | 112.6 | N1126 Q1127 R1134 A1140 C1144 A1145 C1170 | N1126-L1130 VanDerWaalsContact O-CG 3.29Å; N1126-L1130 WeakPolarHBondContact O-CG 3.5Å; N1126-L1130 PolarHBondContact O-N 2.97Å; Q1127-L1130 PolarHBondContact O-N 2.85Å; L1130-R1134 WeakPolarHBondContact O-CG 3.46Å; L1130-R1134 PolarHBondContact O-N 3.28Å; L1130-R1134 VanDerWaalsContact O-N 3.12Å; L1130-A1140 HydrophobicContact CD2-CB 4.06Å; L1130-C1144 HydrophobicContact CD1-CB 4.23Å; L1130-C1144 HydrophobicContact CD2-CB 3.73Å; L1130-A1145 HydrophobicContact CD2-CB 3.87Å; L1130-C1170 HydrophobicContact CD2-CB 3.99Å |
| 1131 | E | 89.2 | Confident | 88.7 | Confident | 70 Ų | 70 | 48.1 Ų | 48.1 | 33% | 0.327 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 174.5 | -75.4 | 172.9 | -166.6 | 0 | 0 | 112 | Q1127 L1128 F1129 R1134 K1135 | Q1127-E1131 WeakPolarHBondContact CG-OE1 3.29Å; Q1127-E1131 PolarHBondContact NE2-OE1 2.87Å; Q1127-E1131 WeakPolarHBondContact O-CG 3.37Å; Q1127-E1131 PolarHBondContact O-N 3.43Å; L1128-E1131 PolarHBondContact O-N 2.89Å; F1129-E1131 VanDerWaalsContact C-N 3.3Å; F1129-E1131 PolarHBondContact O-N 3.44Å; E1131-R1134 WeakPolarHBondContact O-CB 3.48Å; E1131-R1134 PolarHBondContact O-N 3.26Å; E1131-K1135 WeakPolarHBondContact O-CG 3.37Å; E1131-K1135 PolarHBondContact O-N 2.98Å |
| 1132 | D | 89.5 | Confident | 88.1 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.4 | -39.2 | 179 | -71.2 | -15.9 | 0 | 0 | 0 | 112 | L1128 F1129 R1134 K1135 V1136 Y1187 R1190 | L1128-D1132 PolarHBondContact O-N 2.93Å; F1129-D1132 PolarHBondContact O-N 2.81Å; D1132-R1134 PolarHBondContact O-N 3.37Å; D1132-K1135 WeakPolarHBondContact O-CB 3.41Å; D1132-K1135 PolarHBondContact O-N 3.43Å; D1132-K1135 IonicContact OD1-NZ 2.95Å; D1132-K1135 PolarHBondContact OD1-NZ 3.4Å; D1132-V1136 WeakPolarHBondContact O-CG2 3.31Å; D1132-V1136 PolarHBondContact O-N 3.1Å; D1132-Y1187 HydrophobicContact CB-CE1 4.4Å; D1132-Y1187 WeakPolarHBondContact CB-OH 3.26Å; D1132-Y1187 WeakPolarHBondContact OD2-CE1 3.46Å; D1132-Y1187 PolarHBondContact OD2-OH 3.07Å; D1132-R1190 IonicContact OD1-NH2 3.88Å; D1132-R1190 IonicContact OD2-CZ 3.42Å; D1132-R1190 IonicContact OD2-NH1 2.66Å; D1132-R1190 PolarHBondContact OD2-NH1 2.86Å; D1132-R1190 IonicContact OD2-NH2 3.24Å; D1132-R1190 PolarHBondContact OD2-NH2 2.87Å |
| 1133 | Q | 88.4 | Confident | 87.6 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.7 | -34.7 | 173.3 | -71 | -72.4 | -55.4 | 0 | 0 | 112.1 | F1129 Q1137 G1138 A1140 T1141 A1145 | F1129-Q1133 HydrophobicContact CD1-CG 4.08Å; F1129-Q1133 HydrophobicContact CD2-CG 3.93Å; F1129-Q1133 HydrophobicContact CE1-CG 3.79Å; F1129-Q1133 HydrophobicContact CE2-CG 3.64Å; F1129-Q1133 HydrophobicContact CG-CG 4.15Å; F1129-Q1133 HydrophobicContact CZ-CG 3.57Å; F1129-Q1133 WeakPolarHBondContact O-CB 3.42Å; F1129-Q1133 WeakPolarHBondContact O-CG 3.44Å; F1129-Q1133 PolarHBondContact O-N 2.75Å; Q1133-Q1137 WeakPolarHBondContact O-CA 3.4Å; Q1133-Q1137 PolarHBondContact O-N 3.42Å; Q1133-G1138 PolarHBondContact O-N 3.02Å; Q1133-G1138 VanDerWaalsContact OE1-CA 3.24Å; Q1133-A1140 HydrophobicContact CB-CB 3.93Å; Q1133-A1140 HydrophobicContact CG-CB 3.82Å; Q1133-T1141 WeakPolarHBondContact O-CG2 3.49Å; Q1133-A1145 HydrophobicContact CB-CB 4.24Å |
| 1134 | R | 87.5 | Confident | 87 | Confident | 123 Ų | 123 | 54.5 Ų | 54.5 | 46% | 0.464 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 171.7 | -78 | 169.3 | -178 | 161.6 | 7.1 | 112.8 | L1130 E1131 D1132 V1136 A1145 | L1130-R1134 WeakPolarHBondContact O-CG 3.46Å; L1130-R1134 PolarHBondContact O-N 3.28Å; L1130-R1134 VanDerWaalsContact O-N 3.12Å; E1131-R1134 WeakPolarHBondContact O-CB 3.48Å; E1131-R1134 PolarHBondContact O-N 3.26Å; D1132-R1134 PolarHBondContact O-N 3.37Å; R1134-V1136 VanDerWaalsContact C-N 3.33Å; R1134-A1145 HydrophobicContact CG-CB 3.97Å; R1134-A1145 WeakPolarHBondContact CG-O 3.2Å; R1134-A1145 PolarHBondContact NE-O 3.18Å |
| 1135 | K | 86.5 | Confident | 86.4 | Confident | 149 Ų | 149 | 52.1 Ų | 52.1 | 65% | 0.648 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.1 | -37.9 | -179.5 | -67.7 | 170.3 | -167 | 159.2 | 0 | 111.7 | E1131 D1132 | E1131-K1135 WeakPolarHBondContact O-CG 3.37Å; E1131-K1135 PolarHBondContact O-N 2.98Å; D1132-K1135 WeakPolarHBondContact O-CB 3.41Å; D1132-K1135 PolarHBondContact O-N 3.43Å; D1132-K1135 IonicContact OD1-NZ 2.95Å; D1132-K1135 PolarHBondContact OD1-NZ 3.4Å |
| 1136 | V | 85.9 | Confident | 85.7 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -100.8 | 4.9 | -175 | -52.2 | 0 | 0 | 0 | 0 | 114.1 | D1132 R1134 G1138 Y1182 | D1132-V1136 WeakPolarHBondContact O-CG2 3.31Å; D1132-V1136 PolarHBondContact O-N 3.1Å; R1134-V1136 VanDerWaalsContact C-N 3.33Å; V1136-G1138 VanDerWaalsContact C-N 3.29Å; V1136-G1138 PolarHBondContact O-N 2.8Å; V1136-Y1182 HydrophobicContact CG2-CE1 4.26Å |
| 1137 | Q | 82.4 | Confident | 84.2 | Confident | 168 Ų | 168 | 63 Ų | 63 | 79% | 0.785 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 43.6 | -175.1 | -61.6 | -174.9 | -17.1 | 0 | 0 | 113.5 | Q1133 | Q1133-Q1137 WeakPolarHBondContact O-CA 3.4Å; Q1133-Q1137 PolarHBondContact O-N 3.42Å |
| 1138 | G | 82.1 | Confident | 82.6 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | trans | -79.2 | 176 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q1133 V1136 A1140 T1141 | Q1133-G1138 PolarHBondContact O-N 3.02Å; Q1133-G1138 VanDerWaalsContact OE1-CA 3.24Å; V1136-G1138 VanDerWaalsContact C-N 3.29Å; V1136-G1138 PolarHBondContact O-N 2.8Å; G1138-A1140 PolarHBondContact O-N 2.97Å; G1138-A1140 VanDerWaalsContact O-N 3.07Å; G1138-T1141 VanDerWaalsContact O-CB 3.3Å; G1138-T1141 WeakPolarHBondContact O-CB 3.32Å; G1138-T1141 WeakPolarHBondContact O-CG2 3.03Å; G1138-T1141 PolarHBondContact O-N 2.89Å; G1138-T1141 PolarHBondContact O-OG1 2.7Å | ||
| 1139 | D | 81.8 | Confident | 80.6 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -55.5 | -31.6 | -170.8 | -59.4 | -23.1 | 0 | 0 | 0 | 114.4 | T1141 L1142 | D1139-T1141 PolarHBondContact O-N 3.48Å; D1139-T1141 VanDerWaalsContact O-N 3.07Å; D1139-L1142 VanDerWaalsContact O-CB 3.26Å; D1139-L1142 WeakPolarHBondContact O-CB 3.31Å; D1139-L1142 WeakPolarHBondContact O-CG 3.29Å; D1139-L1142 PolarHBondContact O-N 2.89Å |
| 1140 | A | 82.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -64.7 | -14.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1129 L1130 Q1133 G1138 L1142 C1143 C1144 A1145 H1172 | F1129-A1140 HydrophobicContact CE1-CB 3.78Å; F1129-A1140 HydrophobicContact CZ-CB 4.21Å; L1130-A1140 HydrophobicContact CD2-CB 4.06Å; Q1133-A1140 HydrophobicContact CB-CB 3.93Å; Q1133-A1140 HydrophobicContact CG-CB 3.82Å; G1138-A1140 PolarHBondContact O-N 2.97Å; G1138-A1140 VanDerWaalsContact O-N 3.07Å; A1140-L1142 PolarHBondContact O-N 3.48Å; A1140-C1143 CarbonylContact O-C 3.44Å; A1140-C1143 PolarHBondContact O-N 3.1Å; A1140-C1143 VanDerWaalsContact O-N 3.13Å; A1140-C1144 PolarHBondContact O-N 3.22Å; A1140-A1145 VanDerWaalsContact C-CB 3.46Å; A1140-A1145 HydrophobicContact CB-CB 3.97Å; A1140-A1145 WeakPolarHBondContact O-CA 3.43Å; A1140-A1145 VanDerWaalsContact O-CB 3.23Å; A1140-A1145 WeakPolarHBondContact O-CB 3.38Å; A1140-A1145 PolarHBondContact O-N 2.82Å; A1140-H1172 HydrophobicContact CB-CB 4.27Å |
| 1141 | T | 81.7 | Confident | 76.4 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 27% | 0.27 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -67 | -18.9 | 172.2 | 62 | 0 | 0 | 0 | 0 | 113.2 | Q1133 G1138 D1139 C1143 A1145 K1146 | Q1133-T1141 WeakPolarHBondContact O-CG2 3.49Å; G1138-T1141 VanDerWaalsContact O-CB 3.3Å; G1138-T1141 WeakPolarHBondContact O-CB 3.32Å; G1138-T1141 WeakPolarHBondContact O-CG2 3.03Å; G1138-T1141 PolarHBondContact O-N 2.89Å; G1138-T1141 PolarHBondContact O-OG1 2.7Å; D1139-T1141 PolarHBondContact O-N 3.48Å; D1139-T1141 VanDerWaalsContact O-N 3.07Å; T1141-C1143 PolarHBondContact O-N 3.15Å; T1141-A1145 HydrophobicContact CG2-CB 4.14Å; T1141-K1146 WeakPolarHBondContact O-CB 3.37Å |
| 1142 | L | 80.7 | Confident | 74.3 | Confident | 140 Ų | 140 | 82.6 Ų | 82.6 | 73% | 0.733 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -71 | -15.3 | 171.9 | -57.4 | 174.4 | 0 | 0 | 0 | 112.5 | D1139 A1140 | D1139-L1142 VanDerWaalsContact O-CB 3.26Å; D1139-L1142 WeakPolarHBondContact O-CB 3.31Å; D1139-L1142 WeakPolarHBondContact O-CG 3.29Å; D1139-L1142 PolarHBondContact O-N 2.89Å; A1140-L1142 PolarHBondContact O-N 3.48Å |
| 1143 | C | 82.6 | Confident | 72.2 | Confident | 14 Ų | 14 | 88.5 Ų | 88.5 | 10% | 0.095 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138 | -99.2 | 179.3 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | A1140 T1141 A1145 K1146 L1162 C1163 H1172 | A1140-C1143 CarbonylContact O-C 3.44Å; A1140-C1143 PolarHBondContact O-N 3.1Å; A1140-C1143 VanDerWaalsContact O-N 3.13Å; T1141-C1143 PolarHBondContact O-N 3.15Å; C1143-A1145 VanDerWaalsContact C-N 3.35Å; C1143-A1145 PolarHBondContact O-N 3.26Å; C1143-K1146 VanDerWaalsContact O-CB 3.31Å; C1143-K1146 WeakPolarHBondContact O-CB 3.23Å; C1143-K1146 PolarHBondContact O-N 3.19Å; C1143-L1162 HydrophobicContact CB-CB 4.49Å; C1143-C1163 HydrophobicContact CB-CB 3.78Å; C1143-H1172 PolarHBondContact SG-CD2 3.25Å; C1143-H1172 PolarHBondContact SG-NE2 3.26Å |
| 1144 | C | 81.6 | Confident | 69.9 | Low | 26 Ų | 26 | 95.9 Ų | 95.9 | 18% | 0.176 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -22.7 | -168.6 | -65 | 0 | 0 | 0 | 0 | 114.5 | L1130 A1140 C1163 C1170 | L1130-C1144 HydrophobicContact CD1-CB 4.23Å; L1130-C1144 HydrophobicContact CD2-CB 3.73Å; A1140-C1144 PolarHBondContact O-N 3.22Å; C1144-C1163 PolarHBondContact SG-SG 2.7Å; C1144-C1170 HydrophobicContact CB-CB 4.2Å |
| 1145 | A | 80.2 | Confident | 67.8 | Low | 1 Ų | 1 | 97 Ų | 97 | 1% | 0.008 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -1.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1130 Q1133 R1134 A1140 T1141 C1143 | L1130-A1145 HydrophobicContact CD2-CB 3.87Å; Q1133-A1145 HydrophobicContact CB-CB 4.24Å; R1134-A1145 HydrophobicContact CG-CB 3.97Å; R1134-A1145 WeakPolarHBondContact CG-O 3.2Å; R1134-A1145 PolarHBondContact NE-O 3.18Å; A1140-A1145 VanDerWaalsContact C-CB 3.46Å; A1140-A1145 HydrophobicContact CB-CB 3.97Å; A1140-A1145 WeakPolarHBondContact O-CA 3.43Å; A1140-A1145 VanDerWaalsContact O-CB 3.23Å; A1140-A1145 WeakPolarHBondContact O-CB 3.38Å; A1140-A1145 PolarHBondContact O-N 2.82Å; T1141-A1145 HydrophobicContact CG2-CB 4.14Å; C1143-A1145 VanDerWaalsContact C-N 3.35Å; C1143-A1145 PolarHBondContact O-N 3.26Å |
| 1146 | K | 78.7 | Confident | 65.7 | Low | 98 Ų | 98 | 92.6 Ų | 92.6 | 43% | 0.426 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -57.6 | 138.1 | 177.4 | -164.2 | -177.7 | 177.2 | -161.3 | 0 | 111.8 | T1141 C1143 K1148 E1152 | T1141-K1146 WeakPolarHBondContact O-CB 3.37Å; C1143-K1146 VanDerWaalsContact O-CB 3.31Å; C1143-K1146 WeakPolarHBondContact O-CB 3.23Å; C1143-K1146 PolarHBondContact O-N 3.19Å; K1146-K1148 PolarHBondContact O-N 3.38Å; K1146-E1152 IonicContact NZ-OE1 3.25Å; K1146-E1152 PolarHBondContact NZ-OE1 3.22Å; K1146-E1152 IonicContact NZ-OE2 3.95Å |
| 1147 | I | 62 | Low | 63.6 | Low | 143 Ų | 143 | 93.5 Ų | 93.5 | 73% | 0.733 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 117.7 | 174.2 | -61.2 | 171.9 | 0 | 0 | 0 | 107.4 | D1149 | I1147-D1149 PolarHBondContact O-N 3.15Š|
| 1148 | K | 58.6 | Low | 61.9 | Low | 125 Ų | 125 | 89.7 Ų | 89.7 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 116.6 | -177.7 | -69 | -175.4 | 176.9 | -175.9 | 0 | 110.5 | K1146 | K1146-K1148 PolarHBondContact O-N 3.38Š|
| 1149 | D | 50.3 | Low | 60.5 | Low | 133 Ų | 133 | 90.6 Ų | 90.6 | 71% | 0.711 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 144.4 | 159.6 | -76.1 | -35.5 | 0 | 0 | 0 | 109.7 | I1147 K1151 E1152 | I1147-D1149 PolarHBondContact O-N 3.15Å; D1149-K1151 PolarHBondContact O-N 3.05Å; D1149-E1152 PolarHBondContact O-N 3.09Å |
| 1150 | G | 48 | Very low | 59.2 | Low | 70 Ų | 70 | 91.6 Ų | 91.6 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 10.9 | -164.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1151 | K | 44.7 | Very low | 58.5 | Low | 197 Ų | 197 | 93.9 Ų | 93.9 | 86% | 0.857 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -16.8 | 174.8 | -71.9 | -175.7 | 177.1 | 179.5 | 0 | 114.5 | D1149 | D1149-K1151 PolarHBondContact O-N 3.05Š|
| 1152 | E | 45.6 | Very low | 57.8 | Low | 76 Ų | 76 | 98.3 Ų | 98.3 | 36% | 0.355 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -88.8 | 1.5 | -177.7 | -70.4 | 179.8 | 170.9 | 0 | 0 | 114 | K1146 D1149 Q1154 Q1155 | K1146-E1152 IonicContact NZ-OE1 3.25Å; K1146-E1152 PolarHBondContact NZ-OE1 3.22Å; K1146-E1152 IonicContact NZ-OE2 3.95Å; D1149-E1152 PolarHBondContact O-N 3.09Å; E1152-Q1154 PolarHBondContact O-N 3.12Å; E1152-Q1155 PolarHBondContact O-N 3.37Å |
| 1153 | Q | 44.7 | Very low | 57.5 | Low | 144 Ų | 144 | 92.5 Ų | 92.5 | 67% | 0.673 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -66.4 | -19 | 178.6 | -92.3 | 168.9 | -19 | 0 | 0 | 114.2 | ||
| 1154 | Q | 40.7 | Very low | 56.9 | Low | 171 Ų | 171 | 94 Ų | 94 | 80% | 0.799 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -80.3 | -24.5 | -179.3 | -80.3 | 173 | -11.9 | 0 | 0 | 114.3 | E1152 A1157 | E1152-Q1154 PolarHBondContact O-N 3.12Å; Q1154-A1157 WeakPolarHBondContact O-CB 3.06Å |
| 1155 | Q | 42.7 | Very low | 56.7 | Low | 146 Ų | 146 | 93.2 Ų | 93.2 | 68% | 0.682 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -80.1 | -16.3 | 176.1 | -87.8 | 176.3 | -15.6 | 0 | 0 | 113.5 | E1152 A1157 S1158 | E1152-Q1155 PolarHBondContact O-N 3.37Å; Q1155-A1157 PolarHBondContact O-N 2.94Å; Q1155-S1158 PolarHBondContact O-OG 3.35Å |
| 1156 | A | 42.6 | Very low | 56.8 | Low | 58 Ų | 58 | 93.5 Ų | 93.5 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -73.2 | -7.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1158 | A1156-S1158 VanDerWaalsContact C-N 3.3Å; A1156-S1158 PolarHBondContact O-N 2.99Å |
| 1157 | A | 41.8 | Very low | 57.1 | Low | 93 Ų | 93 | 89.9 Ų | 89.9 | 77% | 0.769 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -77.7 | -9.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1154 Q1155 | Q1154-A1157 WeakPolarHBondContact O-CB 3.06Å; Q1155-A1157 PolarHBondContact O-N 2.94Å |
| 1158 | S | 47 | Very low | 58.2 | Low | 88 Ų | 88 | 90 Ų | 90 | 62% | 0.615 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -88.9 | -2 | 176.1 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | Q1155 A1156 M1160 | Q1155-S1158 PolarHBondContact O-OG 3.35Å; A1156-S1158 VanDerWaalsContact C-N 3.3Å; A1156-S1158 PolarHBondContact O-N 2.99Å; S1158-M1160 VanDerWaalsContact C-N 3.29Å; S1158-M1160 PolarHBondContact O-N 3.47Å |
| 1159 | G | 51.6 | Low | 59.6 | Low | 33 Ų | 33 | 84 Ų | 84 | 34% | 0.34 | 48% | 0.48 | S | S | . | . | trans | 71 | 13.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y1168 | G1159-Y1168 WeakPolarHBondContact O-CE1 3.3Å; G1159-Y1168 PolarHBondContact O-OH 3.47Å | ||
| 1160 | M | 55.2 | Low | 61.5 | Low | 123 Ų | 123 | 77.7 Ų | 77.7 | 61% | 0.606 | 45% | 0.446 | S | S | * | . | trans | -112.2 | 138.3 | 177.2 | -68.9 | -176.4 | 70.5 | 0 | 0 | 112.2 | S1158 | S1158-M1160 VanDerWaalsContact C-N 3.29Å; S1158-M1160 PolarHBondContact O-N 3.47Å | ||
| 1161 | L | 66.6 | Low | 63.4 | Low | 49 Ų | 49 | 78 Ų | 78 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | trans | -75.7 | 144.8 | 172.1 | -70.5 | -179.7 | 0 | 0 | 0 | 110.8 | C1163 G1164 Y1168 I1169 | L1161-C1163 PolarHBondContact O-N 3.34Å; L1161-G1164 PolarHBondContact O-N 2.75Å; L1161-Y1168 VanDerWaalsContact CD1-C 3.41Å; L1161-I1169 VanDerWaalsContact CD1-O 3.27Å; L1161-I1169 WeakPolarHBondContact CD1-O 3.17Å | ||
| 1162 | L | 68.4 | Low | 65.5 | Low | 137 Ų | 137 | 70.3 Ų | 70.3 | 72% | 0.717 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.2 | 177.2 | -91.7 | 105.1 | 0 | 0 | 0 | 114 | C1143 G1164 | C1143-L1162 HydrophobicContact CB-CB 4.49Å; L1162-G1164 VanDerWaalsContact C-N 3.33Å |
| 1163 | C | 73.3 | Confident | 67.6 | Low | 17 Ų | 17 | 66.7 Ų | 66.7 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 3 | 176.9 | 60 | 0 | 0 | 0 | 0 | 113.8 | C1143 C1144 L1161 G1165 Q1171 | C1143-C1163 HydrophobicContact CB-CB 3.78Å; C1144-C1163 PolarHBondContact SG-SG 2.7Å; L1161-C1163 PolarHBondContact O-N 3.34Å; C1163-G1165 PolarHBondContact O-N 3.31Å; C1163-Q1171 HydrophobicContact CB-CB 3.85Å; C1163-Q1171 PolarHBondContact O-OE1 3.45Å; C1163-Q1171 PolarHBondContact SG-N 3.28Å |
| 1164 | G | 71.3 | Confident | 69.8 | Low | 46 Ų | 46 | 60 Ų | 60 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | trans | 64.7 | 19 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | L1161 L1162 A1166 | L1161-G1164 PolarHBondContact O-N 2.75Å; L1162-G1164 VanDerWaalsContact C-N 3.33Å; G1164-A1166 PolarHBondContact O-N 3.01Å | ||
| 1165 | G | 76.8 | Confident | 72.1 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | trans | -66.4 | 130 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1163 I1169 | C1163-G1165 PolarHBondContact O-N 3.31Å; G1165-I1169 CarbonylContact C-O 3.56Å; G1165-I1169 VanDerWaalsContact CA-O 3.24Å; G1165-I1169 WeakPolarHBondContact CA-O 3.02Å | ||
| 1166 | A | 82.3 | Confident | 74.3 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -67.6 | 151.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1086 E1088 G1164 Y1168 I1169 Y1174 | Q1086-A1166 HydrophobicContact CB-CB 4.08Å; Q1086-A1166 HydrophobicContact CG-CB 3.95Å; E1088-A1166 HydrophobicContact CG-CB 4.3Å; G1164-A1166 PolarHBondContact O-N 3.01Å; A1166-Y1168 PolarHBondContact O-N 3.33Å; A1166-Y1168 VanDerWaalsContact O-N 3.14Å; A1166-I1169 PolarHBondContact O-N 3.26Å; A1166-Y1174 HydrophobicContact CB-CE2 4.37Å; A1166-Y1174 PolarHBondContact O-OH 3.36Å |
| 1167 | A | 83.8 | Confident | 76.6 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 19% | 0.19 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | 51.4 | 35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1089 H1123 I1169 | Y1089-A1167 HydrophobicContact CD1-CB 3.83Å; Y1089-A1167 HydrophobicContact CD2-CB 3.64Å; Y1089-A1167 HydrophobicContact CE1-CB 4.09Å; Y1089-A1167 HydrophobicContact CE2-CB 3.86Å; Y1089-A1167 HydrophobicContact CG-CB 3.62Å; H1123-A1167 PolarHBondContact CE1-O 3.21Å; A1167-I1169 PolarHBondContact O-N 3.34Å; A1167-I1169 VanDerWaalsContact O-N 3.15Å |
| 1168 | Y | 85.7 | Confident | 78.7 | Confident | 144 Ų | 144 | 43.5 Ų | 43.5 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | 57.6 | 25.1 | -177.9 | -52.1 | -83.2 | 0 | 0 | 0 | 114.9 | G1159 L1161 A1166 | G1159-Y1168 WeakPolarHBondContact O-CE1 3.3Å; G1159-Y1168 PolarHBondContact O-OH 3.47Å; L1161-Y1168 VanDerWaalsContact CD1-C 3.41Å; A1166-Y1168 PolarHBondContact O-N 3.33Å; A1166-Y1168 VanDerWaalsContact O-N 3.14Å |
| 1169 | I | 89.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -102.8 | 141 | 173.2 | -56 | -58.5 | 0 | 0 | 0 | 110.1 | Y1089 L1092 V1122 N1126 L1161 G1165 A1166 A1167 L1173 Y1174 | Y1089-I1169 HydrophobicContact CD2-CG1 4.04Å; Y1089-I1169 HydrophobicContact CE2-CD1 4.46Å; Y1089-I1169 HydrophobicContact CE2-CG1 3.91Å; L1092-I1169 HydrophobicContact CD1-CG2 3.95Å; V1122-I1169 HydrophobicContact CG1-CD1 3.96Å; V1122-I1169 HydrophobicContact CG1-CG1 4.25Å; N1126-I1169 HydrophobicContact CB-CD1 3.71Å; N1126-I1169 HydrophobicContact CB-CG2 4.26Å; L1161-I1169 VanDerWaalsContact CD1-O 3.27Å; L1161-I1169 WeakPolarHBondContact CD1-O 3.17Å; G1165-I1169 CarbonylContact C-O 3.56Å; G1165-I1169 VanDerWaalsContact CA-O 3.24Å; G1165-I1169 WeakPolarHBondContact CA-O 3.02Å; A1166-I1169 PolarHBondContact O-N 3.26Å; A1167-I1169 PolarHBondContact O-N 3.34Å; A1167-I1169 VanDerWaalsContact O-N 3.15Å; I1169-L1173 HydrophobicContact CG2-CB 4.29Å; I1169-L1173 HydrophobicContact CG2-CD2 3.78Å; I1169-L1173 HydrophobicContact CG2-CG 4.47Å; I1169-Y1174 HydrophobicContact CB-CD2 4.48Å; I1169-Y1174 HydrophobicContact CB-CE2 3.62Å; I1169-Y1174 HydrophobicContact CG2-CD2 4.22Å; I1169-Y1174 HydrophobicContact CG2-CE1 4.33Å; I1169-Y1174 HydrophobicContact CG2-CE2 3.79Å | ||
| 1170 | C | 89.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -65.2 | 134.7 | -178.7 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | N1126 F1129 L1130 C1144 H1172 L1173 Y1174 | N1126-C1170 WeakPolarHBondContact OD1-CB 3.39Å; N1126-C1170 PolarHBondContact OD1-N 3.38Å; N1126-C1170 VanDerWaalsContact OD1-N 3.12Å; F1129-C1170 HydrophobicContact CE1-CB 4.44Å; L1130-C1170 HydrophobicContact CD2-CB 3.99Å; C1144-C1170 HydrophobicContact CB-CB 4.2Å; C1170-H1172 PolarHBondContact O-N 2.82Å; C1170-L1173 HydrophobicContact CB-CB 4.46Å; C1170-L1173 WeakPolarHBondContact O-CB 3.4Å; C1170-L1173 PolarHBondContact O-N 3.27Å; C1170-Y1174 PolarHBondContact O-N 2.84Å | ||
| 1171 | Q | 87.4 | Confident | 83.3 | Confident | 77 Ų | 77 | 40.1 Ų | 40.1 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.3 | -36.8 | 177.6 | -167.7 | -176.6 | 2.4 | 0 | 0 | 112.9 | L1021 C1163 L1173 Y1174 D1175 | L1021-Q1171 HydrophobicContact CD2-CG 3.88Å; C1163-Q1171 HydrophobicContact CB-CB 3.85Å; C1163-Q1171 PolarHBondContact O-OE1 3.45Å; C1163-Q1171 PolarHBondContact SG-N 3.28Å; Q1171-L1173 VanDerWaalsContact C-N 3.28Å; Q1171-L1173 PolarHBondContact O-N 3.23Å; Q1171-Y1174 WeakPolarHBondContact O-CB 3.45Å; Q1171-Y1174 PolarHBondContact O-N 3.37Å; Q1171-Y1174 VanDerWaalsContact O-N 3.15Å; Q1171-D1175 PolarHBondContact O-N 3.35Å |
| 1172 | H | 89 | Confident | 84.2 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.3 | -26.2 | 177.7 | -61.1 | -82.6 | 0 | 0 | 0 | 113.2 | F1129 A1140 C1143 C1170 D1175 S1176 | F1129-H1172 HydrophobicContact CE1-CB 4.27Å; F1129-H1172 HydrophobicContact CZ-CB 4.08Å; A1140-H1172 HydrophobicContact CB-CB 4.27Å; C1143-H1172 PolarHBondContact SG-CD2 3.25Å; C1143-H1172 PolarHBondContact SG-NE2 3.26Å; C1170-H1172 PolarHBondContact O-N 2.82Å; H1172-D1175 CarbonylContact O-C 3.46Å; H1172-D1175 PolarHBondContact O-N 2.92Å; H1172-S1176 PolarHBondContact O-N 2.95Å; H1172-S1176 VanDerWaalsContact O-N 3.12Å; H1172-S1176 PolarHBondContact O-OG 3.23Å |
| 1173 | L | 90.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.7 | -41.7 | 171.3 | -175.6 | 65.6 | 0 | 0 | 0 | 110.3 | N1126 F1129 I1169 C1170 Q1171 D1175 S1176 T1184 Y1187 | N1126-L1173 HydrophobicContact CB-CD2 3.65Å; F1129-L1173 HydrophobicContact CB-CD1 3.94Å; F1129-L1173 HydrophobicContact CD1-CB 3.9Å; F1129-L1173 HydrophobicContact CD1-CD1 4.11Å; F1129-L1173 HydrophobicContact CD1-CG 4.46Å; F1129-L1173 HydrophobicContact CD2-CD1 3.77Å; F1129-L1173 HydrophobicContact CE1-CB 3.91Å; F1129-L1173 HydrophobicContact CE2-CD1 4.25Å; F1129-L1173 HydrophobicContact CG-CB 4.37Å; F1129-L1173 HydrophobicContact CG-CD1 3.68Å; F1129-L1173 HydrophobicContact CG-CG 4.48Å; F1129-L1173 HydrophobicContact CZ-CB 4.38Å; I1169-L1173 HydrophobicContact CG2-CB 4.29Å; I1169-L1173 HydrophobicContact CG2-CD2 3.78Å; I1169-L1173 HydrophobicContact CG2-CG 4.47Å; C1170-L1173 HydrophobicContact CB-CB 4.46Å; C1170-L1173 WeakPolarHBondContact O-CB 3.4Å; C1170-L1173 PolarHBondContact O-N 3.27Å; Q1171-L1173 VanDerWaalsContact C-N 3.28Å; Q1171-L1173 PolarHBondContact O-N 3.23Å; L1173-D1175 PolarHBondContact O-N 3.01Å; L1173-S1176 WeakPolarHBondContact O-CB 3.41Å; L1173-S1176 PolarHBondContact O-N 3.16Å; L1173-S1176 VanDerWaalsContact O-N 3.09Å; L1173-T1184 HydrophobicContact CD1-CG2 3.86Å; L1173-T1184 HydrophobicContact CG-CG2 4.19Å; L1173-T1184 VanDerWaalsContact O-CG2 3.31Å; L1173-T1184 WeakPolarHBondContact O-CG2 3.38Å; L1173-Y1187 HydrophobicContact CD1-CD2 4.49Å |
| 1174 | Y | 89.8 | Confident | 86.1 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -21.5 | 173.2 | -71.4 | -62.9 | 0 | 0 | 0 | 113.7 | W1020 L1021 R1024 E1088 Y1089 L1092 A1166 I1169 C1170 Q1171 | W1020-Y1174 CarbonylContact C-O 3.59Å; L1021-Y1174 VanDerWaalsContact CA-O 3.3Å; L1021-Y1174 WeakPolarHBondContact CA-O 3.42Å; L1021-Y1174 HydrophobicContact CD1-CG 4.25Å; L1021-Y1174 PolarHBondContact N-O 3.07Å; R1024-Y1174 VanDerWaalsContact NH1-C 3.33Å; R1024-Y1174 PolarHBondContact NH1-O 3.25Å; E1088-Y1174 HydrophobicContact CB-CD1 3.83Å; E1088-Y1174 HydrophobicContact CB-CE1 3.92Å; E1088-Y1174 HydrophobicContact CB-CG 4.4Å; E1088-Y1174 HydrophobicContact CG-CD1 4.07Å; E1088-Y1174 HydrophobicContact CG-CE1 3.87Å; E1088-Y1174 HydrophobicContact CG-CE2 4.32Å; E1088-Y1174 HydrophobicContact CG-CG 4.39Å; E1088-Y1174 WeakPolarHBondContact O-CE1 3.49Å; Y1089-Y1174 WeakPolarHBondContact CB-OH 3.45Å; Y1089-Y1174 WeakPolarHBondContact CD2-OH 3.25Å; L1092-Y1174 HydrophobicContact CD1-CD1 3.54Å; L1092-Y1174 HydrophobicContact CD1-CE1 3.28Å; L1092-Y1174 HydrophobicContact CG-CD1 3.89Å; L1092-Y1174 HydrophobicContact CG-CE1 3.75Å; A1166-Y1174 HydrophobicContact CB-CE2 4.37Å; A1166-Y1174 PolarHBondContact O-OH 3.36Å; I1169-Y1174 HydrophobicContact CB-CD2 4.48Å; I1169-Y1174 HydrophobicContact CB-CE2 3.62Å; I1169-Y1174 HydrophobicContact CG2-CD2 4.22Å; I1169-Y1174 HydrophobicContact CG2-CE1 4.33Å; I1169-Y1174 HydrophobicContact CG2-CE2 3.79Å; C1170-Y1174 PolarHBondContact O-N 2.84Å; Q1171-Y1174 WeakPolarHBondContact O-CB 3.45Å; Q1171-Y1174 PolarHBondContact O-N 3.37Å; Q1171-Y1174 VanDerWaalsContact O-N 3.15Å |
| 1175 | D | 89.2 | Confident | 87 | Confident | 32 Ų | 32 | 34.7 Ų | 34.7 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 3.8 | 176.3 | -159 | 40.7 | 0 | 0 | 0 | 113.9 | G1018 Q1019 W1020 L1021 Q1171 H1172 L1173 | G1018-D1175 VanDerWaalsContact CA-CG 3.48Å; G1018-D1175 WeakPolarHBondContact CA-OD1 3.31Å; G1018-D1175 WeakPolarHBondContact CA-OD2 3.24Å; G1018-D1175 VanDerWaalsContact N-CG 3.26Å; G1018-D1175 PolarHBondContact N-OD1 3.36Å; G1018-D1175 PolarHBondContact N-OD2 3.36Å; Q1019-D1175 PolarHBondContact N-OD1 3.12Å; W1020-D1175 PolarHBondContact N-OD1 3.24Å; W1020-D1175 VanDerWaalsContact N-OD1 3.15Å; L1021-D1175 HydrophobicContact CB-CB 4.14Å; L1021-D1175 PolarHBondContact N-OD1 2.66Å; L1021-D1175 VanDerWaalsContact N-OD1 3.1Å; Q1171-D1175 PolarHBondContact O-N 3.35Å; H1172-D1175 CarbonylContact O-C 3.46Å; H1172-D1175 PolarHBondContact O-N 2.92Å; L1173-D1175 PolarHBondContact O-N 3.01Å |
| 1176 | S | 90.3 | Very high | 87.7 | Confident | 21 Ų | 21 | 34.5 Ų | 34.5 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -81 | 142.7 | 174.8 | -64.5 | 0 | 0 | 0 | 0 | 111 | R1024 H1172 L1173 | R1024-S1176 PolarHBondContact NH1-O 3.48Å; R1024-S1176 PolarHBondContact NH2-O 3.04Å; H1172-S1176 PolarHBondContact O-N 2.95Å; H1172-S1176 VanDerWaalsContact O-N 3.12Å; H1172-S1176 PolarHBondContact O-OG 3.23Å; L1173-S1176 WeakPolarHBondContact O-CB 3.41Å; L1173-S1176 PolarHBondContact O-N 3.16Å; L1173-S1176 VanDerWaalsContact O-N 3.09Å |
| 1177 | A | 89.6 | Confident | 88.2 | Confident | 32 Ų | 32 | 34.3 Ų | 34.3 | 26% | 0.264 | 19% | 0.193 | S | C | . | . | trans | -60.6 | 153.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1020 G1183 T1184 | W1020-A1177 HydrophobicContact CD2-CB 4.4Å; W1020-A1177 HydrophobicContact CZ2-CB 3.86Å; A1177-G1183 CarbonylContact O-C 3.58Å; A1177-G1183 WeakPolarHBondContact O-CA 3.13Å; A1177-T1184 PolarHBondContact O-N 2.71Å | ||
| 1178 | P | 87.2 | Confident | 88.6 | Confident | 37 Ų | 37 | 33.3 Ų | 33.3 | 24% | 0.24 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -61.5 | -43 | 175.1 | -26.3 | 35.2 | 0 | 0 | 0 | 113.8 | W1020 T1184 M1185 | W1020-P1178 HydrophobicContact CE3-CG 4.23Å; W1020-P1178 HydrophobicContact CH2-CG 4.34Å; W1020-P1178 HydrophobicContact CZ3-CG 3.87Å; P1178-T1184 WeakPolarHBondContact CA-OG1 3.36Å; P1178-T1184 PolarHBondContact O-N 3.19Å; P1178-M1185 HydrophobicContact CB-CG 4.13Å; P1178-M1185 WeakPolarHBondContact O-CB 3.35Å; P1178-M1185 WeakPolarHBondContact O-CG 3.33Å; P1178-M1185 PolarHBondContact O-N 3.42Å |
| 1179 | S | 85.1 | Confident | 88.8 | Confident | 60 Ų | 60 | 27.2 Ų | 27.2 | 42% | 0.42 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -100.6 | 169.2 | -179.1 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1180 | G | 85.1 | Confident | 88.8 | Confident | 31 Ų | 31 | 30.1 Ų | 30.1 | 32% | 0.32 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 99.6 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1182 G1183 T1186 I1209 | G1180-Y1182 VanDerWaalsContact C-N 3.29Å; G1180-Y1182 PolarHBondContact O-N 3.41Å; G1180-G1183 PolarHBondContact O-N 3.44Å; G1180-T1186 WeakPolarHBondContact O-CB 3.34Å; G1180-T1186 PolarHBondContact O-OG1 2.91Å; G1180-I1209 PolarHBondContact N-O 2.87Å |
| 1181 | S | 80.1 | Confident | 88.9 | Confident | 82 Ų | 82 | 30.1 Ų | 30.1 | 57% | 0.573 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -32.3 | -173.6 | 50.3 | 0 | 0 | 0 | 0 | 114 | ||
| 1182 | Y | 84.6 | Confident | 89 | Confident | 105 Ų | 105 | 26.6 Ų | 26.6 | 41% | 0.412 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 16.4 | 173.6 | -59.8 | -82.2 | 0 | 0 | 0 | 112.4 | V1136 G1180 Y1187 | V1136-Y1182 HydrophobicContact CG2-CE1 4.26Å; G1180-Y1182 VanDerWaalsContact C-N 3.29Å; G1180-Y1182 PolarHBondContact O-N 3.41Å; Y1182-Y1187 VanDerWaalsContact CD1-OH 3.28Å; Y1182-Y1187 WeakPolarHBondContact CD1-OH 3.49Å |
| 1183 | G | 89.1 | Confident | 88.9 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | trans | -74.6 | 154.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1177 G1180 M1185 T1186 Y1187 | A1177-G1183 CarbonylContact O-C 3.58Å; A1177-G1183 WeakPolarHBondContact O-CA 3.13Å; G1180-G1183 PolarHBondContact O-N 3.44Å; G1183-M1185 PolarHBondContact O-N 3.37Å; G1183-T1186 WeakPolarHBondContact O-CB 3.33Å; G1183-T1186 PolarHBondContact O-N 3.07Å; G1183-Y1187 VanDerWaalsContact O-CD2 3.25Å; G1183-Y1187 WeakPolarHBondContact O-CD2 3.28Å; G1183-Y1187 PolarHBondContact O-N 3.14Å | ||
| 1184 | T | 92.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | -177.5 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | R1024 L1092 E1095 L1173 A1177 P1178 T1186 Y1187 M1188 | R1024-T1184 VanDerWaalsContact NH2-CG2 3.31Å; R1024-T1184 PolarHBondContact NH2-OG1 3.46Å; L1092-T1184 HydrophobicContact CD2-CG2 4.07Å; E1095-T1184 WeakPolarHBondContact OE2-CB 3.27Å; E1095-T1184 PolarHBondContact OE2-OG1 3.32Å; L1173-T1184 HydrophobicContact CD1-CG2 3.86Å; L1173-T1184 HydrophobicContact CG-CG2 4.19Å; L1173-T1184 VanDerWaalsContact O-CG2 3.31Å; L1173-T1184 WeakPolarHBondContact O-CG2 3.38Å; A1177-T1184 PolarHBondContact O-N 2.71Å; P1178-T1184 WeakPolarHBondContact CA-OG1 3.36Å; P1178-T1184 PolarHBondContact O-N 3.19Å; T1184-T1186 VanDerWaalsContact C-N 3.29Å; T1184-T1186 PolarHBondContact O-N 3.29Å; T1184-Y1187 PolarHBondContact O-N 2.73Å; T1184-Y1187 VanDerWaalsContact O-N 3.17Å; T1184-M1188 VanDerWaalsContact O-CG 3.3Å; T1184-M1188 WeakPolarHBondContact O-CG 3.3Å; T1184-M1188 PolarHBondContact O-N 3.45Å |
| 1185 | M | 90.6 | Very high | 88.4 | Confident | 27 Ų | 27 | 31.6 Ų | 31.6 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -34.1 | 178.8 | -63.9 | -71.9 | -74.1 | 0 | 0 | 112.2 | E1095 M1098 V1099 P1178 G1183 M1188 S1189 I1209 | E1095-M1185 HydrophobicContact CB-SD 3.61Å; E1095-M1185 HydrophobicContact CG-SD 3.96Å; M1098-M1185 HydrophobicContact CB-CE 3.99Å; V1099-M1185 HydrophobicContact CG2-CE 3.47Å; V1099-M1185 VanDerWaalsContact CG2-CE 3.47Å; V1099-M1185 HydrophobicContact CG2-SD 3.89Å; P1178-M1185 HydrophobicContact CB-CG 4.13Å; P1178-M1185 WeakPolarHBondContact O-CB 3.35Å; P1178-M1185 WeakPolarHBondContact O-CG 3.33Å; P1178-M1185 PolarHBondContact O-N 3.42Å; G1183-M1185 PolarHBondContact O-N 3.37Å; M1185-M1188 PolarHBondContact O-N 3.13Å; M1185-S1189 WeakPolarHBondContact O-CB 3.33Å; M1185-S1189 PolarHBondContact O-N 3.36Å; M1185-S1189 PolarHBondContact O-OG 3Å; M1185-I1209 HydrophobicContact CB-CD1 3.9Å |
| 1186 | T | 90.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 175.5 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | G1180 G1183 T1184 S1189 R1190 C1207 | G1180-T1186 WeakPolarHBondContact O-CB 3.34Å; G1180-T1186 PolarHBondContact O-OG1 2.91Å; G1183-T1186 WeakPolarHBondContact O-CB 3.33Å; G1183-T1186 PolarHBondContact O-N 3.07Å; T1184-T1186 VanDerWaalsContact C-N 3.29Å; T1184-T1186 PolarHBondContact O-N 3.29Å; T1186-S1189 PolarHBondContact O-N 3.29Å; T1186-R1190 WeakPolarHBondContact O-CG 3.43Å; T1186-R1190 PolarHBondContact O-N 3.02Å; T1186-R1190 VanDerWaalsContact O-N 3.11Å; T1186-C1207 WeakPolarHBondContact CG2-O 3.43Å |
| 1187 | Y | 92.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.9 | -36.9 | 175.2 | -73.8 | -69.6 | 0 | 0 | 0 | 112.8 | L1128 F1129 D1132 L1173 Y1182 G1183 T1184 R1190 A1191 | L1128-Y1187 HydrophobicContact CB-CD1 3.8Å; L1128-Y1187 HydrophobicContact CB-CE1 4.23Å; F1129-Y1187 VanDerWaalsContact CA-CE1 3.48Å; F1129-Y1187 HydrophobicContact CB-CD1 4.18Å; F1129-Y1187 HydrophobicContact CB-CD2 4.16Å; F1129-Y1187 HydrophobicContact CB-CE1 4.14Å; F1129-Y1187 HydrophobicContact CB-CE2 4.13Å; F1129-Y1187 HydrophobicContact CB-CG 4.2Å; F1129-Y1187 HydrophobicContact CD2-CD2 4.11Å; F1129-Y1187 AromaticContact CD2-CE2 3.58Å; F1129-Y1187 HydrophobicContact CD2-CE2 3.58Å; F1129-Y1187 AromaticContact CD2-CZ 3.99Å; F1129-Y1187 HydrophobicContact CG-CE2 4.35Å; D1132-Y1187 HydrophobicContact CB-CE1 4.4Å; D1132-Y1187 WeakPolarHBondContact CB-OH 3.26Å; D1132-Y1187 WeakPolarHBondContact OD2-CE1 3.46Å; D1132-Y1187 PolarHBondContact OD2-OH 3.07Å; L1173-Y1187 HydrophobicContact CD1-CD2 4.49Å; Y1182-Y1187 VanDerWaalsContact CD1-OH 3.28Å; Y1182-Y1187 WeakPolarHBondContact CD1-OH 3.49Å; G1183-Y1187 VanDerWaalsContact O-CD2 3.25Å; G1183-Y1187 WeakPolarHBondContact O-CD2 3.28Å; G1183-Y1187 PolarHBondContact O-N 3.14Å; T1184-Y1187 PolarHBondContact O-N 2.73Å; T1184-Y1187 VanDerWaalsContact O-N 3.17Å; Y1187-R1190 PolarHBondContact O-N 3Å; Y1187-A1191 WeakPolarHBondContact O-CB 3.43Å; Y1187-A1191 PolarHBondContact O-N 3.44Å |
| 1188 | M | 93.8 | Very high | 86.6 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 173.1 | -66.8 | -56.7 | 175.7 | 0 | 0 | 111.6 | L1092 A1096 V1099 V1122 A1125 T1184 M1185 R1190 A1191 V1192 | L1092-M1188 HydrophobicContact CB-CE 4.11Å; L1092-M1188 HydrophobicContact CD2-CE 4.4Å; A1096-M1188 HydrophobicContact CB-CG 4.5Å; A1096-M1188 HydrophobicContact CB-SD 3.94Å; V1099-M1188 HydrophobicContact CB-CB 4.38Å; V1099-M1188 HydrophobicContact CG2-CB 3.72Å; V1122-M1188 HydrophobicContact CB-CE 4.14Å; V1122-M1188 HydrophobicContact CG1-CE 4.02Å; V1122-M1188 HydrophobicContact CG2-CE 3.86Å; V1122-M1188 HydrophobicContact CG2-SD 4.22Å; A1125-M1188 HydrophobicContact CB-CE 4.11Å; A1125-M1188 HydrophobicContact CB-CG 4.36Å; A1125-M1188 HydrophobicContact CB-SD 3.46Å; A1125-M1188 WeakPolarHBondContact CB-SD 3.23Å; T1184-M1188 VanDerWaalsContact O-CG 3.3Å; T1184-M1188 WeakPolarHBondContact O-CG 3.3Å; T1184-M1188 PolarHBondContact O-N 3.45Å; M1185-M1188 PolarHBondContact O-N 3.13Å; M1188-R1190 PolarHBondContact O-N 3.25Å; M1188-A1191 WeakPolarHBondContact O-CB 3.49Å; M1188-A1191 PolarHBondContact O-N 2.98Å; M1188-V1192 WeakPolarHBondContact O-CG2 3.4Å; M1188-V1192 PolarHBondContact O-N 3.13Å |
| 1189 | S | 89.8 | Confident | 85.8 | Confident | 16 Ų | 16 | 36 Ų | 36 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 175.7 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | V1099 M1185 T1186 A1191 V1192 A1193 I1209 | V1099-S1189 WeakPolarHBondContact CG1-OG 3.44Å; M1185-S1189 WeakPolarHBondContact O-CB 3.33Å; M1185-S1189 PolarHBondContact O-N 3.36Å; M1185-S1189 PolarHBondContact O-OG 3Å; T1186-S1189 PolarHBondContact O-N 3.29Å; S1189-A1191 VanDerWaalsContact C-N 3.33Å; S1189-A1191 PolarHBondContact O-N 3.26Å; S1189-V1192 PolarHBondContact O-N 2.88Å; S1189-A1193 WeakPolarHBondContact O-CB 3.47Å; S1189-A1193 PolarHBondContact O-N 3.45Å; S1189-I1209 VanDerWaalsContact OG-CD1 3.24Å; S1189-I1209 WeakPolarHBondContact OG-CD1 3.27Å |
| 1190 | R | 89.4 | Confident | 84.9 | Confident | 61 Ų | 61 | 37.9 Ų | 37.9 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 174.3 | -71.1 | 170.6 | 61.6 | -164.9 | 1.5 | 111.9 | L1128 D1132 T1186 Y1187 M1188 L1194 | L1128-R1190 HydrophobicContact CD1-CB 3.77Å; D1132-R1190 IonicContact OD1-NH2 3.88Å; D1132-R1190 IonicContact OD2-CZ 3.42Å; D1132-R1190 IonicContact OD2-NH1 2.66Å; D1132-R1190 PolarHBondContact OD2-NH1 2.86Å; D1132-R1190 IonicContact OD2-NH2 3.24Å; D1132-R1190 PolarHBondContact OD2-NH2 2.87Å; T1186-R1190 WeakPolarHBondContact O-CG 3.43Å; T1186-R1190 PolarHBondContact O-N 3.02Å; T1186-R1190 VanDerWaalsContact O-N 3.11Å; Y1187-R1190 PolarHBondContact O-N 3Å; M1188-R1190 PolarHBondContact O-N 3.25Å; R1190-L1194 WeakPolarHBondContact O-CB 3.43Å; R1190-L1194 VanDerWaalsContact O-CG 3.29Å; R1190-L1194 WeakPolarHBondContact O-CG 3.32Å; R1190-L1194 PolarHBondContact O-N 3.21Å; R1190-L1194 VanDerWaalsContact O-N 3.16Å |
| 1191 | A | 91.3 | Very high | 84 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -48.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1121 K1124 A1125 L1128 Y1187 M1188 S1189 A1193 L1194 V1195 | L1121-A1191 WeakPolarHBondContact O-CB 3.14Å; K1124-A1191 HydrophobicContact CB-CB 3.97Å; K1124-A1191 HydrophobicContact CG-CB 4.05Å; A1125-A1191 HydrophobicContact CB-CB 4.02Å; L1128-A1191 HydrophobicContact CD1-CB 4.43Å; Y1187-A1191 WeakPolarHBondContact O-CB 3.43Å; Y1187-A1191 PolarHBondContact O-N 3.44Å; M1188-A1191 WeakPolarHBondContact O-CB 3.49Å; M1188-A1191 PolarHBondContact O-N 2.98Å; S1189-A1191 VanDerWaalsContact C-N 3.33Å; S1189-A1191 PolarHBondContact O-N 3.26Å; A1191-A1193 VanDerWaalsContact C-N 3.34Å; A1191-A1193 PolarHBondContact O-N 3.19Å; A1191-L1194 PolarHBondContact O-N 3.12Å; A1191-L1194 VanDerWaalsContact O-N 3.16Å; A1191-V1195 VanDerWaalsContact O-CB 3.31Å; A1191-V1195 WeakPolarHBondContact O-CB 3.33Å; A1191-V1195 VanDerWaalsContact O-CG2 3.24Å; A1191-V1195 WeakPolarHBondContact O-CG2 3.39Å; A1191-V1195 PolarHBondContact O-N 3.41Å |
| 1192 | V | 89.3 | Confident | 82.5 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.1 | -46.1 | 177.2 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | V1099 L1100 V1103 L1121 M1188 S1189 L1194 V1195 L1196 | V1099-V1192 HydrophobicContact CG1-CB 4.24Å; V1099-V1192 HydrophobicContact CG1-CG2 3.85Å; L1100-V1192 HydrophobicContact CD2-CG1 3.98Å; L1100-V1192 HydrophobicContact CD2-CG2 3.99Å; L1100-V1192 HydrophobicContact CG-CG2 4.5Å; V1103-V1192 HydrophobicContact CG2-CG1 4.04Å; L1121-V1192 HydrophobicContact CD1-CG2 3.92Å; L1121-V1192 HydrophobicContact CD2-CG2 3.93Å; L1121-V1192 HydrophobicContact CG-CG2 4.43Å; M1188-V1192 WeakPolarHBondContact O-CG2 3.4Å; M1188-V1192 PolarHBondContact O-N 3.13Å; S1189-V1192 PolarHBondContact O-N 2.88Å; V1192-L1194 VanDerWaalsContact C-N 3.27Å; V1192-L1194 PolarHBondContact O-N 2.77Å; V1192-V1195 PolarHBondContact O-N 3.25Å; V1192-L1196 HydrophobicContact CG1-CD1 3.65Å; V1192-L1196 HydrophobicContact CG1-CG 4.17Å; V1192-L1196 WeakPolarHBondContact O-CB 3.48Å; V1192-L1196 WeakPolarHBondContact O-CG 3.33Å; V1192-L1196 PolarHBondContact O-N 3.36Å |
| 1193 | A | 85.6 | Confident | 81.1 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 10% | 0.099 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.6 | -25.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | S1189 A1191 V1199 M1205 | S1189-A1193 WeakPolarHBondContact O-CB 3.47Å; S1189-A1193 PolarHBondContact O-N 3.45Å; A1191-A1193 VanDerWaalsContact C-N 3.34Å; A1191-A1193 PolarHBondContact O-N 3.19Å; A1193-V1199 HydrophobicContact CB-CG1 4.15Å; A1193-M1205 HydrophobicContact CB-CE 3.56Å; A1193-M1205 HydrophobicContact CB-SD 3.5Å; A1193-M1205 WeakPolarHBondContact CB-SD 3.43Å |
| 1194 | L | 85.6 | Confident | 79.1 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -87.1 | -35.5 | 176 | -72.3 | 173 | 0 | 0 | 0 | 113.2 | L1128 R1190 A1191 V1192 | L1128-L1194 HydrophobicContact CD1-CD1 4.06Å; L1128-L1194 HydrophobicContact CD2-CD1 4.07Å; R1190-L1194 WeakPolarHBondContact O-CB 3.43Å; R1190-L1194 VanDerWaalsContact O-CG 3.29Å; R1190-L1194 WeakPolarHBondContact O-CG 3.32Å; R1190-L1194 PolarHBondContact O-N 3.21Å; R1190-L1194 VanDerWaalsContact O-N 3.16Å; A1191-L1194 PolarHBondContact O-N 3.12Å; A1191-L1194 VanDerWaalsContact O-N 3.16Å; V1192-L1194 VanDerWaalsContact C-N 3.27Å; V1192-L1194 PolarHBondContact O-N 2.77Å |
| 1195 | V | 85.5 | Confident | 77.1 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -83.6 | -39.3 | -174.7 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | L1121 K1124 A1191 V1192 D1197 | L1121-V1195 HydrophobicContact CD2-CB 3.74Å; L1121-V1195 HydrophobicContact CD2-CG1 3.74Å; L1121-V1195 HydrophobicContact CD2-CG2 4.09Å; K1124-V1195 HydrophobicContact CB-CG2 4.19Å; K1124-V1195 HydrophobicContact CG-CG2 3.97Å; A1191-V1195 VanDerWaalsContact O-CB 3.31Å; A1191-V1195 WeakPolarHBondContact O-CB 3.33Å; A1191-V1195 VanDerWaalsContact O-CG2 3.24Å; A1191-V1195 WeakPolarHBondContact O-CG2 3.39Å; A1191-V1195 PolarHBondContact O-N 3.41Å; V1192-V1195 PolarHBondContact O-N 3.25Å; V1195-D1197 PolarHBondContact O-N 2.65Å |
| 1196 | L | 83.3 | Confident | 75.2 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | trans | -82 | 119.1 | -179.8 | -62.5 | -173.5 | 0 | 0 | 0 | 110.7 | L1100 L1112 I1116 V1192 C1198 V1199 | L1100-L1196 HydrophobicContact CD2-CD1 3.89Å; L1112-L1196 HydrophobicContact CD2-CD1 3.91Å; I1116-L1196 HydrophobicContact CD1-CD2 4.32Å; I1116-L1196 HydrophobicContact CG1-CD2 4.3Å; I1116-L1196 HydrophobicContact CG2-CD2 4.45Å; V1192-L1196 HydrophobicContact CG1-CD1 3.65Å; V1192-L1196 HydrophobicContact CG1-CG 4.17Å; V1192-L1196 WeakPolarHBondContact O-CB 3.48Å; V1192-L1196 WeakPolarHBondContact O-CG 3.33Å; V1192-L1196 PolarHBondContact O-N 3.36Å; L1196-C1198 PolarHBondContact O-N 2.94Å; L1196-C1198 VanDerWaalsContact O-N 3.15Å; L1196-V1199 HydrophobicContact CB-CG2 4.26Å; L1196-V1199 PolarHBondContact O-N 2.9Å | ||
| 1197 | D | 74.7 | Confident | 73.4 | Confident | 133 Ų | 133 | 68.5 Ų | 68.5 | 71% | 0.711 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11 | 178.6 | -73.1 | -41.5 | 0 | 0 | 0 | 114 | V1195 K1201 | V1195-D1197 PolarHBondContact O-N 2.65Å; D1197-K1201 IonicContact OD1-NZ 2.78Å; D1197-K1201 PolarHBondContact OD1-NZ 3.39Å |
| 1198 | C | 72.4 | Confident | 71.4 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 29% | 0.291 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11.1 | 179.2 | 61.1 | 0 | 0 | 0 | 0 | 114 | V1109 L1196 | V1109-C1198 HydrophobicContact CB-CB 4.27Å; V1109-C1198 HydrophobicContact CG1-CB 3.95Å; V1109-C1198 WeakPolarHBondContact CG1-O 3.26Å; V1109-C1198 HydrophobicContact CG2-CB 4.48Å; L1196-C1198 PolarHBondContact O-N 2.94Å; L1196-C1198 VanDerWaalsContact O-N 3.15Å |
| 1199 | V | 70.6 | Confident | 69.4 | Low | 28 Ų | 28 | 74.3 Ų | 74.3 | 17% | 0.17 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -95 | 136.3 | -179 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | A1193 L1196 K1201 | A1193-V1199 HydrophobicContact CB-CG1 4.15Å; L1196-V1199 HydrophobicContact CB-CG2 4.26Å; L1196-V1199 PolarHBondContact O-N 2.9Å; V1199-K1201 PolarHBondContact O-N 3.13Å |
| 1200 | P | 66.1 | Low | 67.1 | Low | 99 Ų | 99 | 81.1 Ų | 81.1 | 64% | 0.643 | 46% | 0.457 | S | S | * | . | trans | -58.5 | 125.8 | 180 | -22.4 | 31.9 | 0 | 0 | 0 | 112.5 | H1202 | P1200-H1202 VanDerWaalsContact C-N 3.31Å; P1200-H1202 PolarHBondContact O-N 3.33Å | ||
| 1201 | K | 65.8 | Low | 65.9 | Low | 127 Ų | 127 | 82.2 Ų | 82.2 | 55% | 0.552 | 47% | 0.469 | S | S | * | . | trans | -87.6 | 13.6 | -177.4 | -59.6 | -175.2 | -177.8 | 179.1 | 0 | 114.2 | D1197 V1199 | D1197-K1201 IonicContact OD1-NZ 2.78Å; D1197-K1201 PolarHBondContact OD1-NZ 3.39Å; V1199-K1201 PolarHBondContact O-N 3.13Å | ||
| 1202 | H | 50.1 | Low | 64.6 | Low | 184 Ų | 184 | 86.5 Ų | 86.5 | 85% | 0.852 | 49% | 0.493 | S | S | * | . | trans | -114.5 | 116.1 | -173.5 | -62.2 | -45.5 | 0 | 0 | 0 | 111.9 | P1200 | P1200-H1202 VanDerWaalsContact C-N 3.31Å; P1200-H1202 PolarHBondContact O-N 3.33Å | ||
| 1203 | G | 54.1 | Low | 63.2 | Low | 65 Ų | 65 | 91.1 Ų | 91.1 | 67% | 0.67 | 52% | 0.519 | S | S | * | . | S | Bend | trans | 125.5 | 150.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1205 | G1203-M1205 PolarHBondContact O-N 3.38Š|
| 1204 | E | 46.7 | Very low | 61.9 | Low | 194 Ų | 194 | 95.7 Ų | 95.7 | 91% | 0.907 | 54% | 0.544 | S | S | * | . | trans | -66.1 | 110.5 | 168 | -76 | -174.8 | 163.8 | 0 | 0 | 108.7 | E1206 | E1204-E1206 PolarHBondContact O-N 3.17Å; E1204-E1206 VanDerWaalsContact O-N 3.16Å | ||
| 1205 | M | 52.2 | Low | 60.4 | Low | 84 Ų | 84 | 96.1 Ų | 96.1 | 41% | 0.414 | 55% | 0.549 | S | S | . | . | trans | -84.5 | 82.5 | 177.7 | -74.4 | -163.6 | -94.3 | 0 | 0 | 110.6 | A1193 G1203 C1207 | A1193-M1205 HydrophobicContact CB-CE 3.56Å; A1193-M1205 HydrophobicContact CB-SD 3.5Å; A1193-M1205 WeakPolarHBondContact CB-SD 3.43Å; G1203-M1205 PolarHBondContact O-N 3.38Å; M1205-C1207 PolarHBondContact O-N 3.47Å | ||
| 1206 | E | 49.3 | Very low | 58.8 | Low | 186 Ų | 186 | 99.8 Ų | 99.8 | 87% | 0.869 | 57% | 0.569 | S | S | * | * | trans | -78.2 | 92.9 | 159.6 | -78.3 | -165.1 | 154.5 | 0 | 0 | 109.2 | E1204 | E1204-E1206 PolarHBondContact O-N 3.17Å; E1204-E1206 VanDerWaalsContact O-N 3.16Å | ||
| 1207 | C | 52.6 | Low | 57 | Low | 57 Ų | 57 | 106.1 Ų | 106.1 | 39% | 0.385 | 61% | 0.605 | S | S | . | * | trans | -100.9 | 80.9 | 173.5 | -168.3 | 0 | 0 | 0 | 0 | 109.3 | T1186 M1205 I1209 | T1186-C1207 WeakPolarHBondContact CG2-O 3.43Å; M1205-C1207 PolarHBondContact O-N 3.47Å; C1207-I1209 PolarHBondContact O-N 3.4Å | ||
| 1208 | A | 51.3 | Low | 55.7 | Low | 80 Ų | 80 | 104 Ų | 104 | 66% | 0.661 | 60% | 0.597 | S | S | * | * | trans | -84.5 | 107.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | S1210 | A1208-S1210 PolarHBondContact O-N 3.02Š| ||
| 1209 | I | 52.3 | Low | 54.3 | Low | 45 Ų | 45 | 109.1 Ų | 109.1 | 23% | 0.231 | 62% | 0.623 | C | S | . | * | trans | -80.6 | 105.1 | 169.7 | -61.1 | 177.2 | 0 | 0 | 0 | 107.4 | G1180 M1185 S1189 C1207 | G1180-I1209 PolarHBondContact N-O 2.87Å; M1185-I1209 HydrophobicContact CB-CD1 3.9Å; S1189-I1209 VanDerWaalsContact OG-CD1 3.24Å; S1189-I1209 WeakPolarHBondContact OG-CD1 3.27Å; C1207-I1209 PolarHBondContact O-N 3.4Å | ||
| 1210 | S | 40.1 | Very low | 52.8 | Low | 160 Ų | 160 | 116.5 Ų | 116.5 | 100% | 1.119 | 66% | 0.664 | S | S | * | * | trans | -80.4 | 0 | 178 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | A1208 | A1208-S1210 PolarHBondContact O-N 3.02Š|
Retrieved 1,210 of 1,210 residues in 999.7 ms
(Link to these results)