| 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 | 41 | Very low | 71.7 | Confident | 249 Ų | 249 | 96 Ų | 96 | 100% | 1.227 | 48% | 0.48 | S | S | * | . | 0 | 122.5 | 0 | -69.7 | 164.3 | 170.2 | 0 | 0 | 107.8 | |||||
| 2 | R | 47.1 | Very low | 73.4 | Confident | 235 Ų | 235 | 91.3 Ų | 91.3 | 89% | 0.887 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 131.9 | 170.5 | -75.5 | -178.1 | 175.3 | 171.5 | -1.9 | 108.5 | R67 | R2-R67 PolarHBondContact O-NH2 3.02Š|
| 3 | S | 59.4 | Low | 74.9 | Confident | 115 Ų | 115 | 86.2 Ų | 86.2 | 80% | 0.804 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 143.2 | 171.6 | 46.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 4 | R | 63.1 | Low | 76.4 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 23% | 0.234 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 152.3 | 173.9 | -158.2 | 162 | 172.4 | -145.3 | -12.8 | 109.1 | D12 D70 K73 | R4-D12 IonicContact CZ-OD1 2.71Å; R4-D12 IonicContact CZ-OD2 2.71Å; R4-D12 IonicContact NH1-OD1 2.94Å; R4-D12 IonicContact NH1-OD2 2.93Å; R4-D12 PolarHBondContact NH1-OD2 2.99Å; R4-D12 IonicContact NH2-OD1 2.66Å; R4-D12 PolarHBondContact NH2-OD1 3.44Å; R4-D12 IonicContact NH2-OD2 3.45Å; R4-D12 PolarHBondContact NH2-OD2 3.5Å; R4-D70 IonicContact CZ-OD1 3.81Å; R4-D70 IonicContact NE-OD1 3.26Å; R4-D70 IonicContact NH2-OD1 2.85Å; R4-D70 PolarHBondContact NH2-OD1 3.2Å; R4-K73 VanDerWaalsContact NH2-NZ 3.17Å |
| 5 | S | 71.6 | Confident | 77.7 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 23% | 0.231 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 150.3 | 177.4 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | S7 G8 V9 D66 | S5-S7 WeakPolarHBondContact CB-OG 3.27Å; S5-S7 PolarHBondContact O-N 2.96Å; S5-S7 PolarHBondContact OG-OG 3.35Å; S5-G8 PolarHBondContact O-N 3.02Å; S5-G8 VanDerWaalsContact O-N 3.14Å; S5-G8 PolarHBondContact OG-N 3.07Å; S5-V9 PolarHBondContact O-N 3.28Å; S5-D66 WeakPolarHBondContact CB-OD2 3.21Å; S5-D66 PolarHBondContact OG-OD2 2.77Å |
| 6 | N | 77.7 | Confident | 78.8 | Confident | 123 Ų | 123 | 83.3 Ų | 83.3 | 66% | 0.658 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.8 | -33.5 | 178.6 | -166.1 | 22 | 0 | 0 | 0 | 111.3 | V9 R10 | N6-V9 PolarHBondContact O-N 3.39Å; N6-R10 PolarHBondContact O-N 3.45Å; N6-R10 VanDerWaalsContact O-N 3.12Å |
| 7 | S | 79 | Confident | 79.7 | Confident | 37 Ų | 37 | 79.6 Ų | 79.6 | 26% | 0.259 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -55.8 | -52.3 | 169.1 | 41.8 | 0 | 0 | 0 | 0 | 112.1 | S5 V9 R10 L11 | S5-S7 WeakPolarHBondContact CB-OG 3.27Å; S5-S7 PolarHBondContact O-N 2.96Å; S5-S7 PolarHBondContact OG-OG 3.35Å; S7-V9 VanDerWaalsContact C-N 3.26Å; S7-V9 PolarHBondContact O-N 3.44Å; S7-R10 PolarHBondContact O-N 3.47Å; S7-R10 VanDerWaalsContact O-N 3.12Å; S7-L11 WeakPolarHBondContact O-CG 3.43Å; S7-L11 PolarHBondContact O-N 3.38Å |
| 8 | G | 82.2 | Confident | 80.7 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.6 | -31.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S5 D12 | S5-G8 PolarHBondContact O-N 3.02Å; S5-G8 VanDerWaalsContact O-N 3.14Å; S5-G8 PolarHBondContact OG-N 3.07Å; G8-D12 WeakPolarHBondContact O-CB 3.42Å; G8-D12 PolarHBondContact O-N 3.05Å; G8-D12 VanDerWaalsContact O-N 3.12Å |
| 9 | V | 85.7 | Confident | 81.5 | Confident | 82 Ų | 82 | 77.5 Ų | 77.5 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72 | -38.5 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | S5 N6 S7 G13 | S5-V9 PolarHBondContact O-N 3.28Å; N6-V9 PolarHBondContact O-N 3.39Å; S7-V9 VanDerWaalsContact C-N 3.26Å; S7-V9 PolarHBondContact O-N 3.44Å; V9-G13 PolarHBondContact O-N 3.37Å |
| 10 | R | 89.8 | Confident | 82.1 | Confident | 114 Ų | 114 | 78.7 Ų | 78.7 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.5 | -43 | 174.6 | -70.2 | -178.5 | 79.5 | 157.3 | 22.1 | 112 | N6 S7 D12 G13 Y14 E415 F417 | N6-R10 PolarHBondContact O-N 3.45Å; N6-R10 VanDerWaalsContact O-N 3.12Å; S7-R10 PolarHBondContact O-N 3.47Å; S7-R10 VanDerWaalsContact O-N 3.12Å; R10-D12 VanDerWaalsContact C-N 3.32Å; R10-D12 PolarHBondContact O-N 2.9Å; R10-G13 VanDerWaalsContact O-CA 3.24Å; R10-G13 WeakPolarHBondContact O-CA 3.19Å; R10-G13 PolarHBondContact O-N 2.89Å; R10-Y14 WeakPolarHBondContact O-CD2 3.32Å; R10-Y14 PolarHBondContact O-N 2.68Å; R10-E415 IonicContact CZ-OE1 2.64Å; R10-E415 IonicContact CZ-OE2 3.66Å; R10-E415 IonicContact NE-OE2 3.32Å; R10-E415 PolarHBondContact NE-OE2 2.69Å; R10-E415 VanDerWaalsContact NE-OE2 3.08Å; R10-E415 IonicContact NH1-OE2 2.78Å; R10-E415 IonicContact NH2-OE1 3.83Å; R10-E415 PolarHBondContact NH2-OE1 3.35Å; R10-E415 IonicContact NH2-OE2 2.62Å; R10-E415 PolarHBondContact NH2-OE2 2.84Å; R10-F417 HydrophobicContact CB-CE2 4.28Å; R10-F417 HydrophobicContact CB-CZ 3.75Å |
| 11 | L | 92.4 | Very high | 82.6 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 175.5 | -68.8 | 175.1 | 0 | 0 | 0 | 112 | S7 G13 Y14 A15 L57 A60 Y61 N64 L412 F417 | S7-L11 WeakPolarHBondContact O-CG 3.43Å; S7-L11 PolarHBondContact O-N 3.38Å; L11-G13 PolarHBondContact O-N 2.7Å; L11-Y14 PolarHBondContact O-N 3.02Å; L11-Y14 VanDerWaalsContact O-N 3.16Å; L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 2.77Å; L11-L57 HydrophobicContact CD2-CD1 4.01Å; L11-A60 HydrophobicContact CD2-CB 3.89Å; L11-Y61 HydrophobicContact CB-CD1 4.4Å; L11-Y61 HydrophobicContact CB-CE1 3.82Å; L11-Y61 HydrophobicContact CB-CE2 4.22Å; L11-Y61 HydrophobicContact CD1-CD1 4.21Å; L11-Y61 HydrophobicContact CD1-CE1 4.39Å; L11-Y61 PolarHBondContact O-OH 3.13Å; L11-N64 HydrophobicContact CD1-CB 4Å; L11-L412 HydrophobicContact CD2-CD2 4.05Å; L11-F417 HydrophobicContact CD1-CD1 4.27Å; L11-F417 HydrophobicContact CD1-CE1 4.31Å; L11-F417 HydrophobicContact CD2-CD1 3.76Å; L11-F417 HydrophobicContact CD2-CD2 4.43Å; L11-F417 HydrophobicContact CD2-CE1 4.02Å; L11-F417 HydrophobicContact CD2-CG 3.99Å; L11-F417 HydrophobicContact CD2-CZ 4.47Å; L11-F417 HydrophobicContact CG-CD1 4.03Å; L11-F417 HydrophobicContact CG-CE1 3.88Å; L11-F417 HydrophobicContact CG-CZ 4.43Å |
| 12 | D | 91.7 | Very high | 85.2 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.2 | -22.5 | 170 | -85.7 | 17.5 | 0 | 0 | 0 | 113.5 | R4 G8 R10 R16 Y61 K73 | R4-D12 IonicContact CZ-OD1 2.71Å; R4-D12 IonicContact CZ-OD2 2.71Å; R4-D12 IonicContact NH1-OD1 2.94Å; R4-D12 IonicContact NH1-OD2 2.93Å; R4-D12 PolarHBondContact NH1-OD2 2.99Å; R4-D12 IonicContact NH2-OD1 2.66Å; R4-D12 PolarHBondContact NH2-OD1 3.44Å; R4-D12 IonicContact NH2-OD2 3.45Å; R4-D12 PolarHBondContact NH2-OD2 3.5Å; G8-D12 WeakPolarHBondContact O-CB 3.42Å; G8-D12 PolarHBondContact O-N 3.05Å; G8-D12 VanDerWaalsContact O-N 3.12Å; R10-D12 VanDerWaalsContact C-N 3.32Å; R10-D12 PolarHBondContact O-N 2.9Å; D12-R16 WeakPolarHBondContact O-CG 3.41Å; D12-R16 PolarHBondContact O-N 2.96Å; D12-R16 PolarHBondContact O-NE 3.39Å; D12-Y61 WeakPolarHBondContact CA-OH 3.5Å; D12-Y61 PolarHBondContact N-OH 2.87Å; D12-Y61 PolarHBondContact OD1-OH 3.45Å; D12-K73 IonicContact OD1-NZ 2.88Å; D12-K73 PolarHBondContact OD1-NZ 2.92Å; D12-K73 IonicContact OD2-NZ 3.74Å |
| 13 | G | 93.5 | Very high | 87.6 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 26% | 0.258 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.7 | -53 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V9 R10 L11 A15 R16 L17 | V9-G13 PolarHBondContact O-N 3.37Å; R10-G13 VanDerWaalsContact O-CA 3.24Å; R10-G13 WeakPolarHBondContact O-CA 3.19Å; R10-G13 PolarHBondContact O-N 2.89Å; L11-G13 PolarHBondContact O-N 2.7Å; G13-A15 PolarHBondContact O-N 3.26Å; G13-R16 PolarHBondContact O-N 3.02Å; G13-L17 PolarHBondContact O-N 3.49Å |
| 14 | Y | 96.1 | Very high | 89.2 | Confident | 26 Ų | 26 | 51 Ų | 51 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 176.2 | -72.2 | -67.3 | 0 | 0 | 0 | 112.9 | R10 L11 R16 L17 V18 I408 N411 L412 E415 F417 | R10-Y14 WeakPolarHBondContact O-CD2 3.32Å; R10-Y14 PolarHBondContact O-N 2.68Å; L11-Y14 PolarHBondContact O-N 3.02Å; L11-Y14 VanDerWaalsContact O-N 3.16Å; Y14-R16 VanDerWaalsContact C-N 3.34Å; Y14-R16 PolarHBondContact O-N 3.38Å; Y14-L17 HydrophobicContact CD1-CD2 4.48Å; Y14-L17 WeakPolarHBondContact O-CB 3.45Å; Y14-L17 PolarHBondContact O-N 3.17Å; Y14-V18 WeakPolarHBondContact O-CB 3.03Å; Y14-V18 WeakPolarHBondContact O-CG2 3.5Å; Y14-V18 PolarHBondContact O-N 3.49Å; Y14-I408 HydrophobicContact CD1-CG2 4.06Å; Y14-N411 HydrophobicContact CE1-CB 4.11Å; Y14-N411 WeakPolarHBondContact OH-CB 3.44Å; Y14-L412 HydrophobicContact CD1-CD2 4.3Å; Y14-L412 HydrophobicContact CD1-CG 4.41Å; Y14-L412 HydrophobicContact CD2-CD2 3.5Å; Y14-L412 HydrophobicContact CD2-CG 4.41Å; Y14-L412 HydrophobicContact CE2-CD2 3.82Å; Y14-L412 HydrophobicContact CG-CD2 3.77Å; Y14-L412 HydrophobicContact CG-CG 4.35Å; Y14-E415 PolarHBondContact OH-OE1 3.13Å; Y14-E415 PolarHBondContact OH-OE2 2.91Å; Y14-E415 VanDerWaalsContact OH-OE2 3.12Å; Y14-F417 HydrophobicContact CE2-CE2 4.25Å |
| 15 | A | 95.5 | Very high | 90.7 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 22% | 0.223 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L11 G13 H19 L57 Y61 | L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 2.77Å; G13-A15 PolarHBondContact O-N 3.26Å; A15-H19 WeakPolarHBondContact O-CB 3.44Å; A15-H19 PolarHBondContact O-N 3.41Å; A15-L57 HydrophobicContact CB-CD2 4.06Å; A15-Y61 HydrophobicContact CB-CE2 4.15Å; A15-Y61 WeakPolarHBondContact CB-OH 3.36Å |
| 16 | R | 94.8 | Very high | 91.9 | Very high | 159 Ų | 159 | 51 Ų | 51 | 60% | 0.6 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.7 | -40.6 | 173.5 | -75.6 | 178.8 | -67.5 | 155.3 | -0.2 | 112 | D12 G13 Y14 Q20 | D12-R16 WeakPolarHBondContact O-CG 3.41Å; D12-R16 PolarHBondContact O-N 2.96Å; D12-R16 PolarHBondContact O-NE 3.39Å; G13-R16 PolarHBondContact O-N 3.02Å; Y14-R16 VanDerWaalsContact C-N 3.34Å; Y14-R16 PolarHBondContact O-N 3.38Å; R16-Q20 VanDerWaalsContact O-CB 3.26Å; R16-Q20 WeakPolarHBondContact O-CB 3.46Å; R16-Q20 WeakPolarHBondContact O-CG 3.43Å; R16-Q20 PolarHBondContact O-N 3Å |
| 17 | L | 94.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -57.2 | 176.5 | -178.6 | 58.5 | 0 | 0 | 0 | 110.8 | G13 Y14 H19 Q20 T21 V366 P367 I408 | G13-L17 PolarHBondContact O-N 3.49Å; Y14-L17 HydrophobicContact CD1-CD2 4.48Å; Y14-L17 WeakPolarHBondContact O-CB 3.45Å; Y14-L17 PolarHBondContact O-N 3.17Å; L17-H19 VanDerWaalsContact C-N 3.3Å; L17-H19 PolarHBondContact O-N 2.9Å; L17-Q20 PolarHBondContact O-N 3.33Å; L17-T21 HydrophobicContact CD1-CG2 3.92Å; L17-T21 PolarHBondContact O-N 3.47Å; L17-T21 PolarHBondContact O-OG1 3.08Å; L17-V366 HydrophobicContact CD1-CG1 3.57Å; L17-P367 HydrophobicContact CD1-CG 4.32Å; L17-P367 HydrophobicContact CD2-CG 4.5Å; L17-I408 HydrophobicContact CD2-CD1 3.99Å; L17-I408 HydrophobicContact CD2-CG1 3.73Å; L17-I408 HydrophobicContact CG-CD1 3.86Å; L17-I408 HydrophobicContact CG-CG1 4.2Å |
| 18 | V | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.7 | -42.7 | 177.1 | 169.2 | 0 | 0 | 0 | 0 | 112 | Y14 I22 L23 A53 V54 L57 I408 | Y14-V18 WeakPolarHBondContact O-CB 3.03Å; Y14-V18 WeakPolarHBondContact O-CG2 3.5Å; Y14-V18 PolarHBondContact O-N 3.49Å; V18-I22 WeakPolarHBondContact O-CA 3.49Å; V18-I22 WeakPolarHBondContact O-CB 3.3Å; V18-I22 PolarHBondContact O-N 3.1Å; V18-L23 HydrophobicContact CG1-CD1 3.88Å; V18-L23 HydrophobicContact CG1-CG 4.01Å; V18-L23 PolarHBondContact O-N 3.37Å; V18-A53 HydrophobicContact CG2-CB 4.35Å; V18-V54 HydrophobicContact CG1-CG2 3.69Å; V18-L57 HydrophobicContact CB-CD2 4.21Å; V18-L57 HydrophobicContact CG2-CD2 3.97Å; V18-I408 HydrophobicContact CG2-CD1 3.93Å; V18-I408 HydrophobicContact CG2-CG2 3.94Å |
| 19 | H | 95.6 | Very high | 94.1 | Very high | 118 Ų | 118 | 55 Ų | 55 | 55% | 0.546 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68 | -35.1 | 176.5 | -171.6 | -55.6 | 0 | 0 | 0 | 112.5 | A15 L17 C24 | A15-H19 WeakPolarHBondContact O-CB 3.44Å; A15-H19 PolarHBondContact O-N 3.41Å; L17-H19 VanDerWaalsContact C-N 3.3Å; L17-H19 PolarHBondContact O-N 2.9Å; H19-C24 WeakPolarHBondContact O-CB 3.41Å; H19-C24 PolarHBondContact O-N 3.5Å; H19-C24 PolarHBondContact O-SG 3.1Å; H19-C24 VanDerWaalsContact O-SG 3.4Å |
| 20 | Q | 94.1 | Very high | 94.6 | Very high | 102 Ų | 102 | 52 Ų | 52 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -81.3 | -24.4 | -178.6 | -73.9 | 174.6 | 1.3 | 0 | 0 | 113.7 | R16 L17 C24 V366 | R16-Q20 VanDerWaalsContact O-CB 3.26Å; R16-Q20 WeakPolarHBondContact O-CB 3.46Å; R16-Q20 WeakPolarHBondContact O-CG 3.43Å; R16-Q20 PolarHBondContact O-N 3Å; L17-Q20 PolarHBondContact O-N 3.33Å; Q20-C24 VanDerWaalsContact C-SG 3.56Å; Q20-C24 PolarHBondContact O-SG 3.14Å; Q20-V366 VanDerWaalsContact OE1-CG2 3.26Å |
| 21 | T | 93.8 | Very high | 95 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -111.4 | -21.7 | -175.6 | 61.1 | 0 | 0 | 0 | 0 | 115.4 | L17 V366 L368 P399 Q404 | L17-T21 HydrophobicContact CD1-CG2 3.92Å; L17-T21 PolarHBondContact O-N 3.47Å; L17-T21 PolarHBondContact O-OG1 3.08Å; T21-V366 HydrophobicContact CG2-CG1 4Å; T21-L368 HydrophobicContact CG2-CD2 3.69Å; T21-P399 HydrophobicContact CG2-CG 4.45Å; T21-Q404 HydrophobicContact CG2-CG 4.4Å |
| 22 | I | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -65.4 | -173.8 | -60.6 | 166.1 | 0 | 0 | 0 | 111 | V18 C24 H25 L33 A53 V54 I408 | V18-I22 WeakPolarHBondContact O-CA 3.49Å; V18-I22 WeakPolarHBondContact O-CB 3.3Å; V18-I22 PolarHBondContact O-N 3.1Å; I22-C24 VanDerWaalsContact C-N 3.26Å; I22-C24 PolarHBondContact O-N 3.47Å; I22-H25 PolarHBondContact O-N 3.41Å; I22-L33 HydrophobicContact CG2-CD1 3.93Å; I22-L33 HydrophobicContact CG2-CD2 4.23Å; I22-L33 WeakPolarHBondContact O-CD2 3.43Å; I22-A53 HydrophobicContact CD1-CB 4.02Å; I22-V54 HydrophobicContact CG2-CG2 4.26Å; I22-I408 HydrophobicContact CD1-CD1 4.24Å |
| 23 | L | 96.3 | Very high | 95.5 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -67.6 | -23.6 | -170.4 | -66.5 | 173.1 | 0 | 0 | 0 | 113.8 | V18 H25 Q26 V54 L77 | V18-L23 HydrophobicContact CG1-CD1 3.88Å; V18-L23 HydrophobicContact CG1-CG 4.01Å; V18-L23 PolarHBondContact O-N 3.37Å; L23-H25 PolarHBondContact O-N 3.3Å; L23-H25 VanDerWaalsContact O-N 3.17Å; L23-Q26 WeakPolarHBondContact O-CB 3.34Å; L23-Q26 PolarHBondContact O-N 3.05Å; L23-Q26 VanDerWaalsContact O-N 3.09Å; L23-V54 HydrophobicContact CD1-CG1 4.3Å; L23-V54 HydrophobicContact CD1-CG2 4.36Å; L23-V54 HydrophobicContact CD2-CG1 4.13Å; L23-V54 HydrophobicContact CD2-CG2 3.79Å; L23-V54 HydrophobicContact CG-CG2 3.99Å; L23-L77 HydrophobicContact CD1-CD2 3.84Å |
| 24 | C | 93.7 | Very high | 95.5 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 43% | 0.432 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -59.4 | -20.7 | 170.5 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | H19 Q20 I22 | H19-C24 WeakPolarHBondContact O-CB 3.41Å; H19-C24 PolarHBondContact O-N 3.5Å; H19-C24 PolarHBondContact O-SG 3.1Å; H19-C24 VanDerWaalsContact O-SG 3.4Å; Q20-C24 VanDerWaalsContact C-SG 3.56Å; Q20-C24 PolarHBondContact O-SG 3.14Å; I22-C24 VanDerWaalsContact C-N 3.26Å; I22-C24 PolarHBondContact O-N 3.47Å |
| 25 | H | 94.4 | Very high | 94.9 | Very high | 64 Ų | 64 | 43.2 Ų | 43.2 | 30% | 0.296 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -99 | -8.6 | 177.4 | -60.5 | -61.3 | 0 | 0 | 0 | 113.2 | I22 L23 N27 L33 P34 M401 | I22-H25 PolarHBondContact O-N 3.41Å; L23-H25 PolarHBondContact O-N 3.3Å; L23-H25 VanDerWaalsContact O-N 3.17Å; H25-N27 PolarHBondContact O-N 2.87Å; H25-L33 HydrophobicContact CB-CD2 4.17Å; H25-P34 HydrophobicContact CB-CG 4.2Å; H25-P34 VanDerWaalsContact O-CD 3.25Å; H25-P34 WeakPolarHBondContact O-CD 3.41Å; H25-M401 HydrophobicContact CB-SD 4.38Å |
| 26 | Q | 96.4 | Very high | 94.4 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -69.5 | 131.4 | -176.1 | -161.9 | -177.4 | 23.2 | 0 | 0 | 111.4 | L23 G31 L33 S80 | L23-Q26 WeakPolarHBondContact O-CB 3.34Å; L23-Q26 PolarHBondContact O-N 3.05Å; L23-Q26 VanDerWaalsContact O-N 3.09Å; Q26-G31 WeakPolarHBondContact CG-O 3.47Å; Q26-G31 PolarHBondContact NE2-O 3.32Å; Q26-L33 HydrophobicContact CB-CD2 3.91Å; Q26-L33 HydrophobicContact CG-CD2 4.32Å; Q26-S80 PolarHBondContact NE2-O 2.86Å |
| 27 | N | 96.3 | Very high | 93.5 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | trans | -67.3 | 124.9 | 177.9 | -172.2 | -66.5 | 0 | 0 | 0 | 111.3 | H25 V29 T30 G31 L32 T118 | H25-N27 PolarHBondContact O-N 2.87Å; N27-V29 PolarHBondContact O-N 2.99Å; N27-V29 VanDerWaalsContact O-N 3.13Å; N27-V29 WeakPolarHBondContact OD1-CA 3.29Å; N27-V29 PolarHBondContact OD1-N 3.09Å; N27-T30 WeakPolarHBondContact CB-OG1 3.24Å; N27-T30 PolarHBondContact OD1-N 3.13Å; N27-T30 PolarHBondContact OD1-OG1 3.25Å; N27-G31 VanDerWaalsContact O-CA 3.3Å; N27-G31 WeakPolarHBondContact O-CA 3.43Å; N27-G31 PolarHBondContact O-N 3.23Å; N27-L32 VanDerWaalsContact CB-O 3.27Å; N27-L32 WeakPolarHBondContact CB-O 3.34Å; N27-L32 PolarHBondContact N-O 3.22Å; N27-T118 HydrophobicContact CB-CG2 3.97Å; N27-T118 PolarHBondContact ND2-O 2.96Å | ||
| 28 | P | 94.4 | Very high | 92.7 | Very high | 108 Ų | 108 | 48.9 Ų | 48.9 | 70% | 0.701 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -5.2 | -175.1 | 30.6 | -37 | 0 | 0 | 0 | 114.3 | K83 | P28-K83 WeakPolarHBondContact O-CE 3.43Å; P28-K83 PolarHBondContact O-NZ 2.85Å |
| 29 | V | 94.6 | Very high | 91.9 | Very high | 119 Ų | 119 | 52.1 Ų | 52.1 | 72% | 0.721 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | -61.2 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | N27 K83 | N27-V29 PolarHBondContact O-N 2.99Å; N27-V29 VanDerWaalsContact O-N 3.13Å; N27-V29 WeakPolarHBondContact OD1-CA 3.29Å; N27-V29 PolarHBondContact OD1-N 3.09Å; V29-K83 WeakPolarHBondContact O-CE 3.29Å |
| 30 | T | 96.5 | Very high | 91.7 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -18.2 | -173.6 | 61 | 0 | 0 | 0 | 0 | 113.8 | N27 L32 G87 T118 K119 | N27-T30 WeakPolarHBondContact CB-OG1 3.24Å; N27-T30 PolarHBondContact OD1-N 3.13Å; N27-T30 PolarHBondContact OD1-OG1 3.25Å; T30-L32 PolarHBondContact O-N 3.12Å; T30-L32 PolarHBondContact OG1-N 3.47Å; T30-G87 VanDerWaalsContact O-CA 3.3Å; T30-G87 WeakPolarHBondContact O-CA 3.43Å; T30-T118 PolarHBondContact OG1-O 3.17Å; T30-K119 WeakPolarHBondContact CG2-O 3.44Å |
| 31 | G | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | 74.9 | -5.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q26 N27 L84 | Q26-G31 WeakPolarHBondContact CG-O 3.47Å; Q26-G31 PolarHBondContact NE2-O 3.32Å; N27-G31 VanDerWaalsContact O-CA 3.3Å; N27-G31 WeakPolarHBondContact O-CA 3.43Å; N27-G31 PolarHBondContact O-N 3.23Å; G31-L84 WeakPolarHBondContact O-CA 3.28Å; G31-L84 VanDerWaalsContact O-CB 3.25Å; G31-L84 WeakPolarHBondContact O-CB 3.42Å; G31-L84 WeakPolarHBondContact O-CD1 3.1Å | ||
| 32 | L | 97.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -72 | 146.5 | -177.3 | -62.6 | 176.3 | 0 | 0 | 0 | 112.2 | N27 T30 A42 L88 T118 | N27-L32 VanDerWaalsContact CB-O 3.27Å; N27-L32 WeakPolarHBondContact CB-O 3.34Å; N27-L32 PolarHBondContact N-O 3.22Å; T30-L32 PolarHBondContact O-N 3.12Å; T30-L32 PolarHBondContact OG1-N 3.47Å; L32-A42 HydrophobicContact CB-CB 3.94Å; L32-A42 HydrophobicContact CD1-CB 4.11Å; L32-A42 HydrophobicContact CD2-CB 4.5Å; L32-A42 HydrophobicContact CG-CB 4.41Å; L32-L88 HydrophobicContact CD2-CD2 3.58Å; L32-L88 HydrophobicContact CD2-CG 3.87Å; L32-T118 HydrophobicContact CB-CG2 4.1Å |
| 33 | L | 96.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -98.5 | 135.6 | 169.9 | -70.8 | 164.1 | 0 | 0 | 0 | 109.8 | I22 H25 Q26 A42 N47 L84 | I22-L33 HydrophobicContact CG2-CD1 3.93Å; I22-L33 HydrophobicContact CG2-CD2 4.23Å; I22-L33 WeakPolarHBondContact O-CD2 3.43Å; H25-L33 HydrophobicContact CB-CD2 4.17Å; Q26-L33 HydrophobicContact CB-CD2 3.91Å; Q26-L33 HydrophobicContact CG-CD2 4.32Å; L33-A42 WeakPolarHBondContact O-CA 3.43Å; L33-A42 VanDerWaalsContact O-CB 3.23Å; L33-A42 WeakPolarHBondContact O-CB 3.36Å; L33-N47 PolarHBondContact N-OD1 3.36Å; L33-N47 PolarHBondContact O-ND2 3.17Å; L33-N47 PolarHBondContact O-OD1 2.93Å; L33-L84 HydrophobicContact CB-CD1 4.44Å; L33-L84 HydrophobicContact CD1-CD1 3.67Å; L33-L84 HydrophobicContact CG-CD1 3.86Å |
| 34 | P | 93.9 | Very high | 91.9 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 160.4 | 165.8 | 33.9 | -35.5 | 0 | 0 | 0 | 110.2 | H25 D41 M401 | H25-P34 HydrophobicContact CB-CG 4.2Å; H25-P34 VanDerWaalsContact O-CD 3.25Å; H25-P34 WeakPolarHBondContact O-CD 3.41Å; P34-D41 CarbonylContact C-O 3.53Å; P34-D41 WeakPolarHBondContact CA-O 3.36Å; P34-M401 WeakPolarHBondContact O-CE 3.21Å |
| 35 | A | 84.2 | Confident | 92 | Very high | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -71.9 | -29.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E39 D41 W43 | A35-E39 HydrophobicContact CB-CB 4.09Å; A35-E39 PolarHBondContact N-O 3.3Å; A35-E39 VanDerWaalsContact N-O 3.15Å; A35-D41 PolarHBondContact N-O 3.06Å; A35-W43 HydrophobicContact CB-CD2 4.47Å; A35-W43 HydrophobicContact CB-CE3 3.63Å; A35-W43 HydrophobicContact CB-CZ3 3.78Å |
| 36 | S | 83.8 | Confident | 92 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -157.1 | -172.4 | 169.6 | 81 | 0 | 0 | 0 | 0 | 111.8 | D38 E39 | S36-D38 VanDerWaalsContact C-N 3.31Å; S36-D38 PolarHBondContact OG-N 3.47Å; S36-E39 PolarHBondContact N-O 3.04Å; S36-E39 PolarHBondContact OG-N 3.24Å |
| 37 | Y | 76.6 | Confident | 92.1 | Very high | 177 Ų | 177 | 44.5 Ų | 44.5 | 69% | 0.694 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -65.9 | -35.7 | 171.3 | -179.8 | -96.9 | 0 | 0 | 0 | 112.3 | K40 | Y37-K40 WeakPolarHBondContact O-CE 3.28Š|
| 38 | D | 78.2 | Confident | 92.2 | Very high | 133 Ų | 133 | 43.4 Ų | 43.4 | 71% | 0.711 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -90 | -40.2 | -178.1 | -58.1 | -57.1 | 0 | 0 | 0 | 111.6 | S36 K40 | S36-D38 VanDerWaalsContact C-N 3.31Å; S36-D38 PolarHBondContact OG-N 3.47Å; D38-K40 PolarHBondContact O-N 3.46Å |
| 39 | E | 81.1 | Confident | 92.3 | Very high | 69 Ų | 69 | 38.4 Ų | 38.4 | 32% | 0.322 | 19% | 0.189 | S | C | . | . | trans | -87.5 | 92.3 | 174.8 | -69.4 | 174.3 | -157.8 | 0 | 0 | 110.6 | A35 S36 D41 K397 | A35-E39 HydrophobicContact CB-CB 4.09Å; A35-E39 PolarHBondContact N-O 3.3Å; A35-E39 VanDerWaalsContact N-O 3.15Å; S36-E39 PolarHBondContact N-O 3.04Å; S36-E39 PolarHBondContact OG-N 3.24Å; E39-D41 VanDerWaalsContact C-N 3.3Å; E39-D41 PolarHBondContact O-N 2.98Å; E39-K397 VanDerWaalsContact CD-CE 3.46Å; E39-K397 IonicContact OE1-NZ 2.79Å; E39-K397 WeakPolarHBondContact OE2-CE 3.35Å; E39-K397 IonicContact OE2-NZ 3.33Å; E39-K397 PolarHBondContact OE2-NZ 3.48Å | ||
| 40 | K | 90.3 | Very high | 92.5 | Very high | 147 Ų | 147 | 32.9 Ų | 32.9 | 64% | 0.639 | 16% | 0.156 | S | C | * | . | trans | -82.2 | -1.2 | -170.3 | -66.8 | 172.9 | -173.8 | 165.5 | 0 | 115.2 | Y37 D38 T118 | Y37-K40 WeakPolarHBondContact O-CE 3.28Å; D38-K40 PolarHBondContact O-N 3.46Å; K40-T118 VanDerWaalsContact O-CB 3.28Å; K40-T118 WeakPolarHBondContact O-CB 3.11Å; K40-T118 PolarHBondContact O-OG1 3.08Å | ||
| 41 | D | 93.9 | Very high | 92.6 | Very high | 46 Ų | 46 | 32 Ų | 32 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 153.4 | 178.7 | -61.4 | -32.9 | 0 | 0 | 0 | 111.1 | P34 A35 E39 W43 Y116 V124 | P34-D41 CarbonylContact C-O 3.53Å; P34-D41 WeakPolarHBondContact CA-O 3.36Å; A35-D41 PolarHBondContact N-O 3.06Å; E39-D41 VanDerWaalsContact C-N 3.3Å; E39-D41 PolarHBondContact O-N 2.98Å; D41-W43 HydrophobicContact CB-CE3 4.27Å; D41-W43 HydrophobicContact CB-CZ3 3.77Å; D41-Y116 CarbonylContact C-O 3.58Å; D41-Y116 WeakPolarHBondContact CA-O 3.36Å; D41-V124 HydrophobicContact CB-CG2 4.39Å |
| 42 | A | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 106.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L32 L33 K115 Y116 T118 | L32-A42 HydrophobicContact CB-CB 3.94Å; L32-A42 HydrophobicContact CD1-CB 4.11Å; L32-A42 HydrophobicContact CD2-CB 4.5Å; L32-A42 HydrophobicContact CG-CB 4.41Å; L33-A42 WeakPolarHBondContact O-CA 3.43Å; L33-A42 VanDerWaalsContact O-CB 3.23Å; L33-A42 WeakPolarHBondContact O-CB 3.36Å; A42-K115 CarbonylContact O-C 3.54Å; A42-K115 WeakPolarHBondContact O-CA 3.04Å; A42-Y116 PolarHBondContact N-O 2.87Å; A42-Y116 PolarHBondContact O-N 3.18Å; A42-T118 WeakPolarHBondContact CB-OG1 3.45Å; A42-T118 PolarHBondContact N-OG1 3.13Å |
| 43 | W | 96.3 | Very high | 92.6 | Very high | 26 Ų | 26 | 32 Ų | 32 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 136.8 | 170 | -84.9 | -113.4 | 0 | 0 | 0 | 110.3 | A35 D41 R45 D46 N47 A114 K115 W130 E185 | A35-W43 HydrophobicContact CB-CD2 4.47Å; A35-W43 HydrophobicContact CB-CE3 3.63Å; A35-W43 HydrophobicContact CB-CZ3 3.78Å; D41-W43 HydrophobicContact CB-CE3 4.27Å; D41-W43 HydrophobicContact CB-CZ3 3.77Å; W43-R45 PolarHBondContact O-N 3.33Å; W43-D46 HydrophobicContact CB-CB 3.95Å; W43-N47 VanDerWaalsContact O-CB 3.28Å; W43-N47 WeakPolarHBondContact O-CB 3.33Å; W43-N47 PolarHBondContact O-N 3.11Å; W43-N47 PolarHBondContact O-ND2 2.79Å; W43-A114 WeakPolarHBondContact CA-O 3.49Å; W43-K115 HydrophobicContact CD2-CB 3.71Å; W43-K115 HydrophobicContact CD2-CD 4.19Å; W43-K115 HydrophobicContact CE3-CB 4.1Å; W43-K115 HydrophobicContact CG-CB 3.92Å; W43-K115 HydrophobicContact CH2-CD 3.9Å; W43-K115 HydrophobicContact CZ2-CD 3.47Å; W43-K115 VanDerWaalsContact CZ2-CD 3.47Å; W43-K115 HydrophobicContact CZ3-CD 4.4Å; W43-W130 HydrophobicContact CZ2-CZ2 4.34Å; W43-W130 AromaticContact NE1-CH2 3.68Å; W43-W130 AromaticContact NE1-CZ2 3.42Å; W43-E185 PolarHBondContact NE1-OE1 2.98Å; W43-E185 PolarHBondContact NE1-OE2 3.38Å |
| 44 | V | 97.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.7 | -51.8 | -179.2 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | N47 V48 L88 M92 A114 Y116 A137 | V44-N47 PolarHBondContact O-N 3.37Å; V44-V48 HydrophobicContact CG1-CG2 4.47Å; V44-V48 WeakPolarHBondContact O-CG2 3.41Å; V44-V48 PolarHBondContact O-N 2.91Å; V44-L88 HydrophobicContact CB-CD2 4.46Å; V44-L88 HydrophobicContact CG1-CD1 4.37Å; V44-L88 HydrophobicContact CG2-CD2 4.21Å; V44-M92 HydrophobicContact CG1-CE 3.71Å; V44-M92 HydrophobicContact CG2-CE 4.08Å; V44-A114 WeakPolarHBondContact CG2-O 3.36Å; V44-A114 PolarHBondContact N-O 2.95Å; V44-Y116 HydrophobicContact CG2-CD2 4.18Å; V44-Y116 HydrophobicContact CG2-CE2 3.61Å; V44-A137 HydrophobicContact CB-CB 4.31Å; V44-A137 WeakPolarHBondContact CG1-O 3.42Å |
| 45 | R | 96.3 | Very high | 93 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 3% | 0.034 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.4 | -54.9 | 179.7 | 175.4 | 175 | 56.6 | -106.8 | -11.5 | 112.1 | W43 N47 V48 Y49 D136 A137 I183 E185 W402 | W43-R45 PolarHBondContact O-N 3.33Å; R45-N47 VanDerWaalsContact C-N 3.27Å; R45-N47 PolarHBondContact O-N 3.43Å; R45-V48 PolarHBondContact O-N 2.89Å; R45-Y49 HydrophobicContact CG-CD2 3.75Å; R45-Y49 HydrophobicContact CG-CE2 3.88Å; R45-Y49 WeakPolarHBondContact O-CD2 3.09Å; R45-Y49 PolarHBondContact O-N 2.79Å; R45-D136 WeakPolarHBondContact CD-OD2 3.19Å; R45-D136 IonicContact CZ-OD2 3.78Å; R45-D136 IonicContact NE-OD2 2.75Å; R45-D136 IonicContact NH1-OD1 3.96Å; R45-D136 IonicContact NH1-OD2 3.75Å; R45-D136 PolarHBondContact NH1-OD2 3.48Å; R45-A137 HydrophobicContact CB-CB 4.43Å; R45-I183 VanDerWaalsContact CD-CG1 3.42Å; R45-I183 VanDerWaalsContact CZ-O 3.23Å; R45-I183 PolarHBondContact NH2-O 2.97Å; R45-E185 IonicContact NH2-OE1 3.86Å; R45-E185 PolarHBondContact NH2-OE1 3.02Å; R45-W402 HydrophobicContact CG-CH2 4.44Å; R45-W402 HydrophobicContact CG-CZ3 4.36Å |
| 46 | D | 95 | Very high | 93.6 | Very high | 18 Ų | 18 | 30.9 Ų | 30.9 | 10% | 0.096 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.3 | -39.7 | 179.4 | -63.8 | -135.5 | 0 | 0 | 0 | 111.4 | W43 S50 | W43-D46 HydrophobicContact CB-CB 3.95Å; D46-S50 WeakPolarHBondContact O-CB 3.48Å; D46-S50 PolarHBondContact O-N 3.04Å; D46-S50 PolarHBondContact O-OG 3.01Å |
| 47 | N | 98 | Very high | 94.3 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.1 | -49.6 | 176.9 | -89.4 | -107.4 | 0 | 0 | 0 | 111.9 | L33 W43 V44 R45 S50 I51 L84 L88 | L33-N47 PolarHBondContact N-OD1 3.36Å; L33-N47 PolarHBondContact O-ND2 3.17Å; L33-N47 PolarHBondContact O-OD1 2.93Å; W43-N47 VanDerWaalsContact O-CB 3.28Å; W43-N47 WeakPolarHBondContact O-CB 3.33Å; W43-N47 PolarHBondContact O-N 3.11Å; W43-N47 PolarHBondContact O-ND2 2.79Å; V44-N47 PolarHBondContact O-N 3.37Å; R45-N47 VanDerWaalsContact C-N 3.27Å; R45-N47 PolarHBondContact O-N 3.43Å; N47-S50 PolarHBondContact O-N 3.49Å; N47-I51 PolarHBondContact O-N 2.86Å; N47-I51 VanDerWaalsContact O-N 3.09Å; N47-L84 HydrophobicContact CB-CD1 4.17Å; N47-L84 HydrophobicContact CB-CD2 4.12Å; N47-L84 HydrophobicContact CB-CG 4.42Å; N47-L84 WeakPolarHBondContact OD1-CD1 3.3Å; N47-L88 HydrophobicContact CB-CD1 4Å; N47-L88 HydrophobicContact CB-CD2 4.15Å; N47-L88 HydrophobicContact CB-CG 4.48Å |
| 48 | V | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | -179.8 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | V44 R45 I51 L52 M85 L88 V140 Y141 F144 | V44-V48 HydrophobicContact CG1-CG2 4.47Å; V44-V48 WeakPolarHBondContact O-CG2 3.41Å; V44-V48 PolarHBondContact O-N 2.91Å; R45-V48 PolarHBondContact O-N 2.89Å; V48-I51 WeakPolarHBondContact O-CG2 3.37Å; V48-L52 WeakPolarHBondContact O-CD2 3.14Å; V48-L52 WeakPolarHBondContact O-CG 3.4Å; V48-M85 HydrophobicContact CG2-SD 4.18Å; V48-L88 HydrophobicContact CG2-CD1 3.66Å; V48-V140 HydrophobicContact CB-CG1 4.43Å; V48-V140 HydrophobicContact CG1-CG1 4.44Å; V48-V140 HydrophobicContact CG1-CG2 4.09Å; V48-Y141 HydrophobicContact CG2-CD2 4.27Å; V48-F144 HydrophobicContact CG1-CB 3.84Å; V48-F144 HydrophobicContact CG1-CD2 3.49Å; V48-F144 VanDerWaalsContact CG1-CD2 3.49Å; V48-F144 HydrophobicContact CG1-CE2 4.37Å; V48-F144 HydrophobicContact CG1-CG 3.95Å |
| 49 | Y | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.5 | -37.8 | 176.8 | -81.4 | -65.8 | 0 | 0 | 0 | 113.1 | R45 I51 L52 V140 P266 Y334 W402 S405 L406 | R45-Y49 HydrophobicContact CG-CD2 3.75Å; R45-Y49 HydrophobicContact CG-CE2 3.88Å; R45-Y49 WeakPolarHBondContact O-CD2 3.09Å; R45-Y49 PolarHBondContact O-N 2.79Å; Y49-I51 VanDerWaalsContact C-N 3.31Å; Y49-I51 PolarHBondContact O-N 3.03Å; Y49-L52 HydrophobicContact CD1-CD1 3.87Å; Y49-L52 WeakPolarHBondContact O-CG 3.45Å; Y49-L52 PolarHBondContact O-N 2.96Å; Y49-V140 HydrophobicContact CE2-CG2 4.03Å; Y49-P266 HydrophobicContact CE1-CG 4.18Å; Y49-Y334 VanDerWaalsContact CE1-OH 3.32Å; Y49-Y334 WeakPolarHBondContact CE1-OH 3.44Å; Y49-Y334 VanDerWaalsContact CZ-OH 3.31Å; Y49-Y334 PolarHBondContact OH-OH 2.61Å; Y49-W402 AromaticContact CD1-CD1 3.87Å; Y49-W402 AromaticContact CD1-NE1 3.48Å; Y49-W402 AromaticContact CD2-CD2 3.98Å; Y49-W402 HydrophobicContact CD2-CD2 3.98Å; Y49-W402 AromaticContact CD2-CE2 3.5Å; Y49-W402 VanDerWaalsContact CD2-CE2 3.5Å; Y49-W402 HydrophobicContact CD2-CG 4.29Å; Y49-W402 AromaticContact CD2-CZ2 3.81Å; Y49-W402 HydrophobicContact CD2-CZ2 3.81Å; Y49-W402 AromaticContact CD2-NE1 3.54Å; Y49-W402 AromaticContact CE1-NE1 3.88Å; Y49-W402 AromaticContact CE2-CE2 3.76Å; Y49-W402 HydrophobicContact CE2-CH2 4.35Å; Y49-W402 AromaticContact CE2-CZ2 3.6Å; Y49-W402 HydrophobicContact CE2-CZ2 3.6Å; Y49-W402 AromaticContact CE2-NE1 3.92Å; Y49-W402 AromaticContact CG-CD1 3.5Å; Y49-W402 HydrophobicContact CG-CD2 4.21Å; Y49-W402 AromaticContact CG-CE2 3.77Å; Y49-W402 HydrophobicContact CG-CG 4.05Å; Y49-W402 HydrophobicContact CG-CZ2 4.46Å; Y49-W402 AromaticContact CG-NE1 3.3Å; Y49-W402 VanDerWaalsContact CG-NE1 3.3Å; Y49-S405 VanDerWaalsContact O-CB 3.23Å; Y49-S405 WeakPolarHBondContact O-CB 3.43Å; Y49-S405 PolarHBondContact O-OG 3Å; Y49-L406 HydrophobicContact CD1-CD2 4.32Å |
| 50 | S | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.021 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -68.9 | -28.1 | -179.2 | -60.4 | 0 | 0 | 0 | 0 | 113.1 | D46 N47 L52 M401 W402 S405 | D46-S50 WeakPolarHBondContact O-CB 3.48Å; D46-S50 PolarHBondContact O-N 3.04Å; D46-S50 PolarHBondContact O-OG 3.01Å; N47-S50 PolarHBondContact O-N 3.49Å; S50-L52 VanDerWaalsContact C-N 3.33Å; S50-M401 VanDerWaalsContact OG-C 3.3Å; S50-M401 VanDerWaalsContact OG-CB 3.3Å; S50-M401 WeakPolarHBondContact OG-CB 3.42Å; S50-W402 PolarHBondContact OG-N 3.23Å; S50-S405 PolarHBondContact O-OG 3.24Å |
| 51 | I | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -79.8 | -13.3 | 179.5 | -154.2 | 62.9 | 0 | 0 | 0 | 113.3 | N47 V48 Y49 A53 V54 W55 V81 L84 M148 | N47-I51 PolarHBondContact O-N 2.86Å; N47-I51 VanDerWaalsContact O-N 3.09Å; V48-I51 WeakPolarHBondContact O-CG2 3.37Å; Y49-I51 VanDerWaalsContact C-N 3.31Å; Y49-I51 PolarHBondContact O-N 3.03Å; I51-A53 VanDerWaalsContact C-N 3.34Å; I51-A53 PolarHBondContact O-N 3.07Å; I51-V54 HydrophobicContact CD1-CB 3.83Å; I51-V54 HydrophobicContact CD1-CG1 4.18Å; I51-V54 HydrophobicContact CD1-CG2 3.79Å; I51-V54 HydrophobicContact CG1-CB 4.32Å; I51-V54 WeakPolarHBondContact O-CA 3.49Å; I51-V54 WeakPolarHBondContact O-CB 3.32Å; I51-V54 PolarHBondContact O-N 3.2Å; I51-W55 PolarHBondContact O-N 3.3Å; I51-V81 HydrophobicContact CG1-CB 4.13Å; I51-V81 HydrophobicContact CG1-CG1 4.03Å; I51-V81 HydrophobicContact CG1-CG2 4.03Å; I51-V81 HydrophobicContact CG2-CG1 4.41Å; I51-L84 HydrophobicContact CB-CD1 4.08Å; I51-L84 HydrophobicContact CB-CD2 4.12Å; I51-L84 HydrophobicContact CD1-CB 4.32Å; I51-L84 HydrophobicContact CD1-CD1 4.05Å; I51-L84 HydrophobicContact CG1-CB 4.29Å; I51-L84 HydrophobicContact CG1-CD1 4.19Å; I51-L84 HydrophobicContact CG1-CD2 4.38Å; I51-L84 HydrophobicContact CG2-CD2 3.99Å; I51-M148 HydrophobicContact CG2-CE 4.01Å |
| 52 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -61.8 | -36.4 | -177.6 | -56.5 | -175.6 | 0 | 0 | 0 | 113.5 | V48 Y49 S50 V54 W55 G56 F144 M148 F265 L406 L409 | V48-L52 WeakPolarHBondContact O-CD2 3.14Å; V48-L52 WeakPolarHBondContact O-CG 3.4Å; Y49-L52 HydrophobicContact CD1-CD1 3.87Å; Y49-L52 WeakPolarHBondContact O-CG 3.45Å; Y49-L52 PolarHBondContact O-N 2.96Å; S50-L52 VanDerWaalsContact C-N 3.33Å; L52-V54 VanDerWaalsContact C-N 3.3Å; L52-V54 PolarHBondContact O-N 3.26Å; L52-W55 HydrophobicContact CD2-CE3 4.16Å; L52-W55 PolarHBondContact O-N 2.98Å; L52-G56 PolarHBondContact O-N 3.36Å; L52-F144 HydrophobicContact CD1-CE1 3.95Å; L52-F144 HydrophobicContact CD1-CE2 3.88Å; L52-F144 HydrophobicContact CD1-CZ 3.42Å; L52-F144 VanDerWaalsContact CD1-CZ 3.42Å; L52-F144 HydrophobicContact CD2-CD1 3.49Å; L52-F144 VanDerWaalsContact CD2-CD1 3.49Å; L52-F144 HydrophobicContact CD2-CD2 4.19Å; L52-F144 HydrophobicContact CD2-CE1 3.39Å; L52-F144 HydrophobicContact CD2-CE2 4.08Å; L52-F144 HydrophobicContact CD2-CG 3.9Å; L52-F144 HydrophobicContact CD2-CZ 3.68Å; L52-F144 HydrophobicContact CG-CE1 4.32Å; L52-F144 HydrophobicContact CG-CZ 4.2Å; L52-M148 HydrophobicContact CD2-CE 3.92Å; L52-F265 HydrophobicContact CD1-CE1 4.34Å; L52-F265 HydrophobicContact CD1-CZ 4.32Å; L52-L406 HydrophobicContact CD1-CD2 4.09Å; L52-L409 HydrophobicContact CB-CD2 4.17Å |
| 53 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.1 | -34.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V18 I22 I51 L57 S405 I408 | V18-A53 HydrophobicContact CG2-CB 4.35Å; I22-A53 HydrophobicContact CD1-CB 4.02Å; I51-A53 VanDerWaalsContact C-N 3.34Å; I51-A53 PolarHBondContact O-N 3.07Å; A53-L57 WeakPolarHBondContact O-CB 3.43Å; A53-L57 PolarHBondContact O-N 3.33Å; A53-S405 WeakPolarHBondContact CB-OG 3.25Å; A53-S405 PolarHBondContact N-OG 2.89Å; A53-I408 HydrophobicContact CB-CB 3.88Å; A53-I408 HydrophobicContact CB-CD1 4.39Å; A53-I408 HydrophobicContact CB-CG2 3.84Å |
| 54 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -70.9 | -44.2 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 110 | V18 I22 L23 I51 L52 L57 G58 L77 V81 | V18-V54 HydrophobicContact CG1-CG2 3.69Å; I22-V54 HydrophobicContact CG2-CG2 4.26Å; L23-V54 HydrophobicContact CD1-CG1 4.3Å; L23-V54 HydrophobicContact CD1-CG2 4.36Å; L23-V54 HydrophobicContact CD2-CG1 4.13Å; L23-V54 HydrophobicContact CD2-CG2 3.79Å; L23-V54 HydrophobicContact CG-CG2 3.99Å; I51-V54 HydrophobicContact CD1-CB 3.83Å; I51-V54 HydrophobicContact CD1-CG1 4.18Å; I51-V54 HydrophobicContact CD1-CG2 3.79Å; I51-V54 HydrophobicContact CG1-CB 4.32Å; I51-V54 WeakPolarHBondContact O-CA 3.49Å; I51-V54 WeakPolarHBondContact O-CB 3.32Å; I51-V54 PolarHBondContact O-N 3.2Å; L52-V54 VanDerWaalsContact C-N 3.3Å; L52-V54 PolarHBondContact O-N 3.26Å; V54-L57 PolarHBondContact O-N 2.98Å; V54-G58 PolarHBondContact O-N 3.38Å; V54-L77 HydrophobicContact CG1-CB 4.14Å; V54-L77 HydrophobicContact CG1-CD2 3.93Å; V54-L77 WeakPolarHBondContact CG1-O 3.42Å; V54-V81 HydrophobicContact CB-CG2 4.21Å; V54-V81 HydrophobicContact CG1-CG2 3.92Å |
| 55 | W | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.2 | -52.2 | 175.5 | 176.1 | 50.9 | 0 | 0 | 0 | 112 | I51 L52 L57 G58 L59 V81 F144 Q147 M148 S151 I423 | I51-W55 PolarHBondContact O-N 3.3Å; L52-W55 HydrophobicContact CD2-CE3 4.16Å; L52-W55 PolarHBondContact O-N 2.98Å; W55-L57 VanDerWaalsContact C-N 3.34Å; W55-L57 PolarHBondContact O-N 3.08Å; W55-G58 PolarHBondContact O-N 3.08Å; W55-G58 VanDerWaalsContact O-N 3.12Å; W55-L59 HydrophobicContact CD2-CD1 4.21Å; W55-L59 HydrophobicContact CG-CD1 4.48Å; W55-L59 HydrophobicContact CZ2-CD1 4.02Å; W55-L59 WeakPolarHBondContact O-CG 3.39Å; W55-L59 PolarHBondContact O-N 3.22Å; W55-V81 HydrophobicContact CB-CG1 4.25Å; W55-V81 HydrophobicContact CB-CG2 3.81Å; W55-F144 HydrophobicContact CZ3-CD1 4.15Å; W55-F144 AromaticContact CZ3-CE1 3.95Å; W55-F144 HydrophobicContact CZ3-CE1 3.95Å; W55-Q147 HydrophobicContact CH2-CB 4.16Å; W55-M148 HydrophobicContact CB-CE 4.27Å; W55-M148 HydrophobicContact CD2-CE 4.15Å; W55-M148 HydrophobicContact CD2-CG 4.09Å; W55-M148 HydrophobicContact CE3-CE 4.26Å; W55-M148 HydrophobicContact CG-CE 4.18Å; W55-M148 HydrophobicContact CG-CG 4.37Å; W55-M148 HydrophobicContact CZ2-CG 4.18Å; W55-S151 PolarHBondContact NE1-OG 3.13Å; W55-I423 HydrophobicContact CE3-CD1 4.19Å; W55-I423 HydrophobicContact CH2-CD1 4.4Å; W55-I423 WeakPolarHBondContact CH2-O 3.47Å; W55-I423 HydrophobicContact CZ3-CD1 4.02Å; W55-I423 HydrophobicContact CZ3-CG2 4.22Å |
| 56 | G | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L52 L59 A60 | L52-G56 PolarHBondContact O-N 3.36Å; G56-L59 PolarHBondContact O-N 2.89Å; G56-A60 VanDerWaalsContact O-CB 3.31Å; G56-A60 WeakPolarHBondContact O-CB 3.36Å; G56-A60 PolarHBondContact O-N 3.34Å |
| 57 | L | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 174.5 | -176.1 | 63 | 0 | 0 | 0 | 112.3 | L11 A15 V18 A53 V54 W55 A60 Y61 L77 L412 | L11-L57 HydrophobicContact CD2-CD1 4.01Å; A15-L57 HydrophobicContact CB-CD2 4.06Å; V18-L57 HydrophobicContact CB-CD2 4.21Å; V18-L57 HydrophobicContact CG2-CD2 3.97Å; A53-L57 WeakPolarHBondContact O-CB 3.43Å; A53-L57 PolarHBondContact O-N 3.33Å; V54-L57 PolarHBondContact O-N 2.98Å; W55-L57 VanDerWaalsContact C-N 3.34Å; W55-L57 PolarHBondContact O-N 3.08Å; L57-A60 PolarHBondContact O-N 3Å; L57-Y61 HydrophobicContact CD1-CD2 3.97Å; L57-Y61 HydrophobicContact CD1-CE2 3.8Å; L57-Y61 HydrophobicContact CD2-CE2 4.25Å; L57-Y61 HydrophobicContact CG-CD2 3.92Å; L57-Y61 HydrophobicContact CG-CE2 3.89Å; L57-Y61 WeakPolarHBondContact O-CD2 3.36Å; L57-Y61 PolarHBondContact O-N 2.87Å; L57-L77 HydrophobicContact CB-CD1 4.31Å; L57-L77 HydrophobicContact CD2-CD1 3.95Å; L57-L77 HydrophobicContact CD2-CD2 4.4Å; L57-L77 HydrophobicContact CG-CD1 3.79Å; L57-L412 HydrophobicContact CB-CD1 4.16Å; L57-L412 HydrophobicContact CD1-CD1 4.39Å; L57-L412 HydrophobicContact CD1-CD2 4.26Å |
| 58 | G | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.7 | -50.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V54 W55 A60 Y61 R62 | V54-G58 PolarHBondContact O-N 3.38Å; W55-G58 PolarHBondContact O-N 3.08Å; W55-G58 VanDerWaalsContact O-N 3.12Å; G58-A60 VanDerWaalsContact C-N 3.35Å; G58-A60 PolarHBondContact O-N 3.1Å; G58-Y61 PolarHBondContact O-N 3.02Å; G58-R62 WeakPolarHBondContact O-CB 3.46Å; G58-R62 PolarHBondContact O-N 2.84Å |
| 59 | L | 97 | Very high | 92.3 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 173.7 | -67.2 | 175.7 | 0 | 0 | 0 | 112.2 | W55 G56 Y61 R62 K63 L418 E422 I423 | W55-L59 HydrophobicContact CD2-CD1 4.21Å; W55-L59 HydrophobicContact CG-CD1 4.48Å; W55-L59 HydrophobicContact CZ2-CD1 4.02Å; W55-L59 WeakPolarHBondContact O-CG 3.39Å; W55-L59 PolarHBondContact O-N 3.22Å; G56-L59 PolarHBondContact O-N 2.89Å; L59-Y61 PolarHBondContact O-N 3Å; L59-R62 WeakPolarHBondContact O-CB 3.34Å; L59-R62 PolarHBondContact O-N 2.84Å; L59-K63 WeakPolarHBondContact O-CB 3.07Å; L59-K63 PolarHBondContact O-N 2.71Å; L59-L418 HydrophobicContact CB-CD2 3.87Å; L59-E422 WeakPolarHBondContact CD1-O 3.49Å; L59-I423 HydrophobicContact CD1-CD1 3.94Å |
| 60 | A | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L11 G56 L57 G58 N64 F417 L418 | L11-A60 HydrophobicContact CD2-CB 3.89Å; G56-A60 VanDerWaalsContact O-CB 3.31Å; G56-A60 WeakPolarHBondContact O-CB 3.36Å; G56-A60 PolarHBondContact O-N 3.34Å; L57-A60 PolarHBondContact O-N 3Å; G58-A60 VanDerWaalsContact C-N 3.35Å; G58-A60 PolarHBondContact O-N 3.1Å; A60-N64 WeakPolarHBondContact O-CB 3.4Å; A60-N64 PolarHBondContact O-N 3.41Å; A60-N64 VanDerWaalsContact O-N 3.08Å; A60-N64 PolarHBondContact O-ND2 2.83Å; A60-F417 HydrophobicContact CB-CB 4.17Å; A60-L418 HydrophobicContact CB-CD2 4.08Å; A60-L418 HydrophobicContact CB-CG 4.18Å |
| 61 | Y | 95.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 170.8 | -86.7 | -71.2 | 0 | 0 | 0 | 111.6 | L11 D12 A15 L57 G58 L59 K63 N64 A65 D70 K73 L77 | L11-Y61 HydrophobicContact CB-CD1 4.4Å; L11-Y61 HydrophobicContact CB-CE1 3.82Å; L11-Y61 HydrophobicContact CB-CE2 4.22Å; L11-Y61 HydrophobicContact CD1-CD1 4.21Å; L11-Y61 HydrophobicContact CD1-CE1 4.39Å; L11-Y61 PolarHBondContact O-OH 3.13Å; D12-Y61 WeakPolarHBondContact CA-OH 3.5Å; D12-Y61 PolarHBondContact N-OH 2.87Å; D12-Y61 PolarHBondContact OD1-OH 3.45Å; A15-Y61 HydrophobicContact CB-CE2 4.15Å; A15-Y61 WeakPolarHBondContact CB-OH 3.36Å; L57-Y61 HydrophobicContact CD1-CD2 3.97Å; L57-Y61 HydrophobicContact CD1-CE2 3.8Å; L57-Y61 HydrophobicContact CD2-CE2 4.25Å; L57-Y61 HydrophobicContact CG-CD2 3.92Å; L57-Y61 HydrophobicContact CG-CE2 3.89Å; L57-Y61 WeakPolarHBondContact O-CD2 3.36Å; L57-Y61 PolarHBondContact O-N 2.87Å; G58-Y61 PolarHBondContact O-N 3.02Å; L59-Y61 PolarHBondContact O-N 3Å; Y61-K63 VanDerWaalsContact C-N 3.27Å; Y61-K63 PolarHBondContact O-N 3.07Å; Y61-N64 CarbonylContact O-C 3.59Å; Y61-N64 PolarHBondContact O-N 2.85Å; Y61-A65 WeakPolarHBondContact O-CA 3.37Å; Y61-A65 VanDerWaalsContact O-CB 3.28Å; Y61-A65 WeakPolarHBondContact O-CB 3.21Å; Y61-A65 PolarHBondContact O-N 2.87Å; Y61-D70 HydrophobicContact CD1-CB 4.12Å; Y61-K73 HydrophobicContact CD1-CB 4.49Å; Y61-K73 HydrophobicContact CE1-CD 3.91Å; Y61-K73 HydrophobicContact CG-CB 4.49Å; Y61-L77 HydrophobicContact CD2-CD1 3.7Å; Y61-L77 HydrophobicContact CE2-CD1 4.06Å |
| 62 | R | 92.3 | Very high | 91 | Very high | 103 Ų | 103 | 42.1 Ų | 42.1 | 39% | 0.389 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -54.6 | -42.8 | 179.3 | -167.7 | -162.5 | -72.8 | -176.8 | -9.6 | 111.8 | G58 L59 A74 E78 S151 | G58-R62 WeakPolarHBondContact O-CB 3.46Å; G58-R62 PolarHBondContact O-N 2.84Å; L59-R62 WeakPolarHBondContact O-CB 3.34Å; L59-R62 PolarHBondContact O-N 2.84Å; R62-A74 HydrophobicContact CB-CB 4.18Å; R62-E78 IonicContact CZ-OE1 2.72Å; R62-E78 VanDerWaalsContact CZ-OE1 3.32Å; R62-E78 IonicContact CZ-OE2 2.71Å; R62-E78 IonicContact NE-OE1 2.79Å; R62-E78 PolarHBondContact NE-OE1 2.94Å; R62-E78 IonicContact NE-OE2 3.74Å; R62-E78 IonicContact NH2-OE1 2.99Å; R62-E78 PolarHBondContact NH2-OE1 2.91Å; R62-E78 VanDerWaalsContact NH2-OE1 3.11Å; R62-E78 IonicContact NH2-OE2 3.54Å; R62-E78 PolarHBondContact NH2-OE2 2.94Å; R62-S151 PolarHBondContact NH1-O 2.99Å |
| 63 | K | 89.9 | Confident | 90.7 | Very high | 98 Ų | 98 | 44.9 Ų | 44.9 | 43% | 0.426 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -71.5 | -40.9 | 177.8 | -174.2 | -164.6 | -166.9 | 170.5 | 0 | 113.6 | L59 Y61 F417 E422 | L59-K63 WeakPolarHBondContact O-CB 3.07Å; L59-K63 PolarHBondContact O-N 2.71Å; Y61-K63 VanDerWaalsContact C-N 3.27Å; Y61-K63 PolarHBondContact O-N 3.07Å; K63-F417 VanDerWaalsContact CD-O 3.22Å; K63-F417 WeakPolarHBondContact CD-O 3.4Å; K63-F417 PolarHBondContact NZ-O 3.03Å; K63-E422 VanDerWaalsContact CD-OE1 3.27Å; K63-E422 WeakPolarHBondContact CD-OE1 3.16Å; K63-E422 WeakPolarHBondContact CE-OE1 3.45Å; K63-E422 WeakPolarHBondContact CE-OE2 3.21Å; K63-E422 IonicContact NZ-OE1 2.77Å; K63-E422 IonicContact NZ-OE2 3.97Å; K63-E422 PolarHBondContact NZ-OE2 3.37Å |
| 64 | N | 84.8 | Confident | 90.6 | Very high | 48 Ų | 48 | 45 Ų | 45 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 21.8 | -172.3 | -61.6 | -84.8 | 0 | 0 | 0 | 113.3 | L11 A60 Y61 D66 | L11-N64 HydrophobicContact CD1-CB 4Å; A60-N64 WeakPolarHBondContact O-CB 3.4Å; A60-N64 PolarHBondContact O-N 3.41Å; A60-N64 VanDerWaalsContact O-N 3.08Å; A60-N64 PolarHBondContact O-ND2 2.83Å; Y61-N64 CarbonylContact O-C 3.59Å; Y61-N64 PolarHBondContact O-N 2.85Å; N64-D66 PolarHBondContact O-N 2.85Å |
| 65 | A | 78.8 | Confident | 90.4 | Very high | 28 Ų | 28 | 52 Ų | 52 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | trans | -73.9 | 92.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y61 R67 D70 K71 | Y61-A65 WeakPolarHBondContact O-CA 3.37Å; Y61-A65 VanDerWaalsContact O-CB 3.28Å; Y61-A65 WeakPolarHBondContact O-CB 3.21Å; Y61-A65 PolarHBondContact O-N 2.87Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-D70 HydrophobicContact CB-CB 4.09Å; A65-K71 HydrophobicContact CB-CG 3.7Å | ||
| 66 | D | 75.9 | Confident | 90.3 | Very high | 106 Ų | 106 | 58 Ų | 58 | 57% | 0.567 | 28% | 0.276 | S | S | * | . | trans | -74.2 | -18 | 173.1 | -72.5 | -36.6 | 0 | 0 | 0 | 113.4 | S5 N64 | S5-D66 WeakPolarHBondContact CB-OD2 3.21Å; S5-D66 PolarHBondContact OG-OD2 2.77Å; N64-D66 PolarHBondContact O-N 2.85Å | ||
| 67 | R | 80 | Confident | 90.3 | Very high | 90 Ų | 90 | 58.8 Ų | 58.8 | 34% | 0.34 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -140.6 | 158.8 | -173.6 | -57.2 | -178.9 | 176.9 | -166.9 | -2.4 | 112.1 | R2 A65 E69 D70 K71 | R2-R67 PolarHBondContact O-NH2 3.02Å; A65-R67 VanDerWaalsContact C-N 3.3Å; R67-E69 HydrophobicContact CB-CB 4.34Å; R67-E69 IonicContact NH1-OE2 3.18Å; R67-E69 PolarHBondContact O-N 3.02Å; R67-D70 WeakPolarHBondContact CB-OD2 3.49Å; R67-D70 PolarHBondContact N-OD2 2.98Å; R67-D70 WeakPolarHBondContact O-CB 3.5Å; R67-D70 PolarHBondContact O-N 3.03Å; R67-K71 PolarHBondContact O-N 2.89Å |
| 68 | D | 82.1 | Confident | 90.3 | Very high | 118 Ų | 118 | 59.6 Ų | 59.6 | 63% | 0.631 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.9 | -26.2 | 173.4 | -58.2 | -40.7 | 0 | 0 | 0 | 112.4 | D70 K71 A72 | D68-D70 VanDerWaalsContact C-N 3.3Å; D68-D70 PolarHBondContact O-N 3.17Å; D68-K71 PolarHBondContact O-N 3.14Å; D68-K71 IonicContact OD1-NZ 2.95Å; D68-K71 PolarHBondContact OD1-NZ 3.33Å; D68-A72 WeakPolarHBondContact O-CB 3.14Å; D68-A72 PolarHBondContact O-N 2.82Å |
| 69 | E | 85.2 | Confident | 90.3 | Very high | 113 Ų | 113 | 63.5 Ų | 63.5 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58 | -40.1 | 167.5 | -65.8 | 173.6 | 164 | 0 | 0 | 112.3 | R67 K73 | R67-E69 HydrophobicContact CB-CB 4.34Å; R67-E69 IonicContact NH1-OE2 3.18Å; R67-E69 PolarHBondContact O-N 3.02Å; E69-K73 WeakPolarHBondContact O-CG 3.28Å; E69-K73 PolarHBondContact O-N 3.17Å; E69-K73 VanDerWaalsContact O-N 3.11Å |
| 70 | D | 86.3 | Confident | 90.4 | Very high | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -75.2 | -34 | -179 | -61.4 | -53.2 | 0 | 0 | 0 | 110.9 | R4 Y61 A65 R67 D68 A74 | R4-D70 IonicContact CZ-OD1 3.81Å; R4-D70 IonicContact NE-OD1 3.26Å; R4-D70 IonicContact NH2-OD1 2.85Å; R4-D70 PolarHBondContact NH2-OD1 3.2Å; Y61-D70 HydrophobicContact CD1-CB 4.12Å; A65-D70 HydrophobicContact CB-CB 4.09Å; R67-D70 WeakPolarHBondContact CB-OD2 3.49Å; R67-D70 PolarHBondContact N-OD2 2.98Å; R67-D70 WeakPolarHBondContact O-CB 3.5Å; R67-D70 PolarHBondContact O-N 3.03Å; D68-D70 VanDerWaalsContact C-N 3.3Å; D68-D70 PolarHBondContact O-N 3.17Å; D70-A74 PolarHBondContact O-N 3.2Å |
| 71 | K | 88.3 | Confident | 90.5 | Very high | 116 Ų | 116 | 64.3 Ų | 64.3 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 170.9 | -60.1 | 177.6 | -167.6 | 153 | 0 | 112.4 | A65 R67 D68 A74 Y75 | A65-K71 HydrophobicContact CB-CG 3.7Å; R67-K71 PolarHBondContact O-N 2.89Å; D68-K71 PolarHBondContact O-N 3.14Å; D68-K71 IonicContact OD1-NZ 2.95Å; D68-K71 PolarHBondContact OD1-NZ 3.33Å; K71-A74 WeakPolarHBondContact O-CB 3.5Å; K71-A74 PolarHBondContact O-N 3Å; K71-Y75 PolarHBondContact O-N 3.07Å |
| 72 | A | 91.5 | Very high | 90.6 | Very high | 46 Ų | 46 | 64.8 Ų | 64.8 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | D68 A74 Y75 E76 | D68-A72 WeakPolarHBondContact O-CB 3.14Å; D68-A72 PolarHBondContact O-N 2.82Å; A72-A74 PolarHBondContact O-N 3.22Å; A72-Y75 PolarHBondContact O-N 3.5Å; A72-E76 WeakPolarHBondContact O-CG 3.38Å; A72-E76 PolarHBondContact O-N 3.37Å |
| 73 | K | 93 | Very high | 90.9 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 172.9 | -73.5 | 171.8 | 179 | 172.9 | 0 | 112.9 | R4 D12 Y61 E69 Y75 E76 L77 | R4-K73 VanDerWaalsContact NH2-NZ 3.17Å; D12-K73 IonicContact OD1-NZ 2.88Å; D12-K73 PolarHBondContact OD1-NZ 2.92Å; D12-K73 IonicContact OD2-NZ 3.74Å; Y61-K73 HydrophobicContact CD1-CB 4.49Å; Y61-K73 HydrophobicContact CE1-CD 3.91Å; Y61-K73 HydrophobicContact CG-CB 4.49Å; E69-K73 WeakPolarHBondContact O-CG 3.28Å; E69-K73 PolarHBondContact O-N 3.17Å; E69-K73 VanDerWaalsContact O-N 3.11Å; K73-Y75 VanDerWaalsContact C-N 3.33Å; K73-Y75 PolarHBondContact O-N 3.04Å; K73-E76 PolarHBondContact O-N 3.43Å; K73-L77 WeakPolarHBondContact O-CB 3.44Å; K73-L77 VanDerWaalsContact O-CG 3.26Å; K73-L77 WeakPolarHBondContact O-CG 3.49Å; K73-L77 PolarHBondContact O-N 3.37Å |
| 74 | A | 95.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.7 | -50.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R62 D70 K71 A72 E76 L77 E78 | R62-A74 HydrophobicContact CB-CB 4.18Å; D70-A74 PolarHBondContact O-N 3.2Å; K71-A74 WeakPolarHBondContact O-CB 3.5Å; K71-A74 PolarHBondContact O-N 3Å; A72-A74 PolarHBondContact O-N 3.22Å; A74-E76 PolarHBondContact O-N 3.22Å; A74-L77 PolarHBondContact O-N 2.66Å; A74-E78 WeakPolarHBondContact O-CB 3.4Å; A74-E78 WeakPolarHBondContact O-CG 3.47Å; A74-E78 PolarHBondContact O-N 3.13Å |
| 75 | Y | 95.2 | Very high | 92 | Very high | 146 Ų | 146 | 57 Ų | 57 | 57% | 0.573 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | 178.8 | -176.4 | -100.3 | 0 | 0 | 0 | 113 | K71 A72 K73 L77 E78 Q79 | K71-Y75 PolarHBondContact O-N 3.07Å; A72-Y75 PolarHBondContact O-N 3.5Å; K73-Y75 VanDerWaalsContact C-N 3.33Å; K73-Y75 PolarHBondContact O-N 3.04Å; Y75-L77 PolarHBondContact O-N 2.85Å; Y75-E78 PolarHBondContact O-N 3.44Å; Y75-Q79 HydrophobicContact CD1-CG 4.06Å; Y75-Q79 HydrophobicContact CD2-CG 4.39Å; Y75-Q79 HydrophobicContact CE1-CG 3.64Å; Y75-Q79 HydrophobicContact CE2-CG 4.01Å; Y75-Q79 HydrophobicContact CG-CG 4.42Å; Y75-Q79 WeakPolarHBondContact O-CB 3.43Å; Y75-Q79 VanDerWaalsContact O-CG 3.31Å; Y75-Q79 WeakPolarHBondContact O-CG 3.31Å; Y75-Q79 PolarHBondContact O-N 2.9Å |
| 76 | E | 96.4 | Very high | 92.9 | Very high | 126 Ų | 126 | 58.7 Ų | 58.7 | 59% | 0.589 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 177 | -74.6 | 175 | -176.2 | 0 | 0 | 112.8 | A72 K73 A74 S80 | A72-E76 WeakPolarHBondContact O-CG 3.38Å; A72-E76 PolarHBondContact O-N 3.37Å; K73-E76 PolarHBondContact O-N 3.43Å; A74-E76 PolarHBondContact O-N 3.22Å; E76-S80 PolarHBondContact O-N 2.8Å; E76-S80 VanDerWaalsContact O-N 3.09Å; E76-S80 PolarHBondContact O-OG 3.49Å; E76-S80 VanDerWaalsContact O-OG 3.06Å |
| 77 | L | 98 | Very high | 94 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 175.3 | -68.7 | 167.2 | 0 | 0 | 0 | 110.6 | L23 V54 L57 Y61 K73 A74 Y75 Q79 S80 V81 | L23-L77 HydrophobicContact CD1-CD2 3.84Å; V54-L77 HydrophobicContact CG1-CB 4.14Å; V54-L77 HydrophobicContact CG1-CD2 3.93Å; V54-L77 WeakPolarHBondContact CG1-O 3.42Å; L57-L77 HydrophobicContact CB-CD1 4.31Å; L57-L77 HydrophobicContact CD2-CD1 3.95Å; L57-L77 HydrophobicContact CD2-CD2 4.4Å; L57-L77 HydrophobicContact CG-CD1 3.79Å; Y61-L77 HydrophobicContact CD2-CD1 3.7Å; Y61-L77 HydrophobicContact CE2-CD1 4.06Å; K73-L77 WeakPolarHBondContact O-CB 3.44Å; K73-L77 VanDerWaalsContact O-CG 3.26Å; K73-L77 WeakPolarHBondContact O-CG 3.49Å; K73-L77 PolarHBondContact O-N 3.37Å; A74-L77 PolarHBondContact O-N 2.66Å; Y75-L77 PolarHBondContact O-N 2.85Å; L77-Q79 PolarHBondContact O-N 3.3Å; L77-S80 WeakPolarHBondContact O-CA 3.46Å; L77-S80 VanDerWaalsContact O-CB 3.29Å; L77-S80 WeakPolarHBondContact O-CB 3.35Å; L77-S80 PolarHBondContact O-N 3.39Å; L77-V81 WeakPolarHBondContact O-CG2 3.48Å; L77-V81 PolarHBondContact O-N 3.31Å |
| 78 | E | 97.6 | Very high | 94.9 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 178.8 | -70.9 | 170.7 | -158.2 | 0 | 0 | 112.6 | R62 A74 Y75 S80 V81 V82 L153 | R62-E78 IonicContact CZ-OE1 2.72Å; R62-E78 VanDerWaalsContact CZ-OE1 3.32Å; R62-E78 IonicContact CZ-OE2 2.71Å; R62-E78 IonicContact NE-OE1 2.79Å; R62-E78 PolarHBondContact NE-OE1 2.94Å; R62-E78 IonicContact NE-OE2 3.74Å; R62-E78 IonicContact NH2-OE1 2.99Å; R62-E78 PolarHBondContact NH2-OE1 2.91Å; R62-E78 VanDerWaalsContact NH2-OE1 3.11Å; R62-E78 IonicContact NH2-OE2 3.54Å; R62-E78 PolarHBondContact NH2-OE2 2.94Å; A74-E78 WeakPolarHBondContact O-CB 3.4Å; A74-E78 WeakPolarHBondContact O-CG 3.47Å; A74-E78 PolarHBondContact O-N 3.13Å; Y75-E78 PolarHBondContact O-N 3.44Å; E78-S80 VanDerWaalsContact C-N 3.29Å; E78-S80 PolarHBondContact O-N 2.81Å; E78-V81 WeakPolarHBondContact O-CB 3.46Å; E78-V81 PolarHBondContact O-N 2.83Å; E78-V81 VanDerWaalsContact O-N 3.14Å; E78-V82 WeakPolarHBondContact O-CG2 3.32Å; E78-V82 PolarHBondContact O-N 2.98Å; E78-L153 HydrophobicContact CB-CD2 3.86Å; E78-L153 HydrophobicContact CG-CD2 3.93Å |
| 79 | Q | 97.7 | Very high | 95.7 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 38% | 0.383 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66 | -31.8 | 173.5 | -68.1 | -50.9 | -62.8 | 0 | 0 | 112.2 | Y75 L77 V81 K83 | Y75-Q79 HydrophobicContact CD1-CG 4.06Å; Y75-Q79 HydrophobicContact CD2-CG 4.39Å; Y75-Q79 HydrophobicContact CE1-CG 3.64Å; Y75-Q79 HydrophobicContact CE2-CG 4.01Å; Y75-Q79 HydrophobicContact CG-CG 4.42Å; Y75-Q79 WeakPolarHBondContact O-CB 3.43Å; Y75-Q79 VanDerWaalsContact O-CG 3.31Å; Y75-Q79 WeakPolarHBondContact O-CG 3.31Å; Y75-Q79 PolarHBondContact O-N 2.9Å; L77-Q79 PolarHBondContact O-N 3.3Å; Q79-V81 VanDerWaalsContact C-N 3.33Å; Q79-K83 WeakPolarHBondContact O-CB 3.28Å; Q79-K83 PolarHBondContact O-N 3.21Å |
| 80 | S | 98.3 | Very high | 96.3 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 21% | 0.21 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 171.2 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | Q26 E76 L77 E78 L84 | Q26-S80 PolarHBondContact NE2-O 2.86Å; E76-S80 PolarHBondContact O-N 2.8Å; E76-S80 VanDerWaalsContact O-N 3.09Å; E76-S80 PolarHBondContact O-OG 3.49Å; E76-S80 VanDerWaalsContact O-OG 3.06Å; L77-S80 WeakPolarHBondContact O-CA 3.46Å; L77-S80 VanDerWaalsContact O-CB 3.29Å; L77-S80 WeakPolarHBondContact O-CB 3.35Å; L77-S80 PolarHBondContact O-N 3.39Å; E78-S80 VanDerWaalsContact C-N 3.29Å; E78-S80 PolarHBondContact O-N 2.81Å; S80-L84 PolarHBondContact O-N 2.97Å |
| 81 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -54.8 | 172.4 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | I51 V54 W55 L77 E78 Q79 K83 L84 M85 M148 L153 | I51-V81 HydrophobicContact CG1-CB 4.13Å; I51-V81 HydrophobicContact CG1-CG1 4.03Å; I51-V81 HydrophobicContact CG1-CG2 4.03Å; I51-V81 HydrophobicContact CG2-CG1 4.41Å; V54-V81 HydrophobicContact CB-CG2 4.21Å; V54-V81 HydrophobicContact CG1-CG2 3.92Å; W55-V81 HydrophobicContact CB-CG1 4.25Å; W55-V81 HydrophobicContact CB-CG2 3.81Å; L77-V81 WeakPolarHBondContact O-CG2 3.48Å; L77-V81 PolarHBondContact O-N 3.31Å; E78-V81 WeakPolarHBondContact O-CB 3.46Å; E78-V81 PolarHBondContact O-N 2.83Å; E78-V81 VanDerWaalsContact O-N 3.14Å; Q79-V81 VanDerWaalsContact C-N 3.33Å; V81-K83 PolarHBondContact O-N 3.23Å; V81-L84 PolarHBondContact O-N 2.78Å; V81-L84 VanDerWaalsContact O-N 3.14Å; V81-M85 HydrophobicContact CG1-CG 4.44Å; V81-M85 PolarHBondContact O-N 2.83Å; V81-M148 HydrophobicContact CG1-CE 3.74Å; V81-M148 HydrophobicContact CG1-SD 3.5Å; V81-M148 VanDerWaalsContact CG1-SD 3.5Å; V81-L153 HydrophobicContact CB-CD1 4.1Å; V81-L153 HydrophobicContact CG1-CD1 3.87Å |
| 82 | V | 98.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.1 | -42.4 | -179.5 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | E78 M85 R86 L153 I155 | E78-V82 WeakPolarHBondContact O-CG2 3.32Å; E78-V82 PolarHBondContact O-N 2.98Å; V82-M85 PolarHBondContact O-N 3.25Å; V82-R86 HydrophobicContact CG1-CG 4.33Å; V82-R86 WeakPolarHBondContact O-CB 3.5Å; V82-R86 WeakPolarHBondContact O-CG 3.15Å; V82-R86 PolarHBondContact O-N 3.42Å; V82-L153 HydrophobicContact CG2-CB 4.19Å; V82-L153 HydrophobicContact CG2-CD1 4.34Å; V82-I155 HydrophobicContact CG2-CG1 4.21Å |
| 83 | K | 98.4 | Very high | 97.6 | Very high | 85 Ų | 85 | 37 Ų | 37 | 37% | 0.37 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 179.8 | -166.7 | 177.3 | -176.5 | 161.2 | 0 | 113 | P28 V29 Q79 V81 G87 | P28-K83 WeakPolarHBondContact O-CE 3.43Å; P28-K83 PolarHBondContact O-NZ 2.85Å; V29-K83 WeakPolarHBondContact O-CE 3.29Å; Q79-K83 WeakPolarHBondContact O-CB 3.28Å; Q79-K83 PolarHBondContact O-N 3.21Å; V81-K83 PolarHBondContact O-N 3.23Å; K83-G87 PolarHBondContact O-N 2.98Å |
| 84 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -48.2 | 175.6 | 179.7 | 146 | 0 | 0 | 0 | 111.4 | G31 L33 N47 I51 S80 V81 R86 G87 L88 | G31-L84 WeakPolarHBondContact O-CA 3.28Å; G31-L84 VanDerWaalsContact O-CB 3.25Å; G31-L84 WeakPolarHBondContact O-CB 3.42Å; G31-L84 WeakPolarHBondContact O-CD1 3.1Å; L33-L84 HydrophobicContact CB-CD1 4.44Å; L33-L84 HydrophobicContact CD1-CD1 3.67Å; L33-L84 HydrophobicContact CG-CD1 3.86Å; N47-L84 HydrophobicContact CB-CD1 4.17Å; N47-L84 HydrophobicContact CB-CD2 4.12Å; N47-L84 HydrophobicContact CB-CG 4.42Å; N47-L84 WeakPolarHBondContact OD1-CD1 3.3Å; I51-L84 HydrophobicContact CB-CD1 4.08Å; I51-L84 HydrophobicContact CB-CD2 4.12Å; I51-L84 HydrophobicContact CD1-CB 4.32Å; I51-L84 HydrophobicContact CD1-CD1 4.05Å; I51-L84 HydrophobicContact CG1-CB 4.29Å; I51-L84 HydrophobicContact CG1-CD1 4.19Å; I51-L84 HydrophobicContact CG1-CD2 4.38Å; I51-L84 HydrophobicContact CG2-CD2 3.99Å; S80-L84 PolarHBondContact O-N 2.97Å; V81-L84 PolarHBondContact O-N 2.78Å; V81-L84 VanDerWaalsContact O-N 3.14Å; L84-R86 VanDerWaalsContact C-N 3.34Å; L84-R86 PolarHBondContact O-N 2.95Å; L84-G87 WeakPolarHBondContact O-CA 3.23Å; L84-G87 PolarHBondContact O-N 2.84Å; L84-L88 HydrophobicContact CD2-CD1 3.89Å; L84-L88 HydrophobicContact CD2-CG 4.45Å; L84-L88 PolarHBondContact O-N 2.77Å |
| 85 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | -179.1 | -65.5 | -61.6 | -77 | 0 | 0 | 111.4 | V48 V81 V82 G87 L88 L89 Y141 F144 L145 M148 I155 | V48-M85 HydrophobicContact CG2-SD 4.18Å; V81-M85 HydrophobicContact CG1-CG 4.44Å; V81-M85 PolarHBondContact O-N 2.83Å; V82-M85 PolarHBondContact O-N 3.25Å; M85-G87 VanDerWaalsContact C-N 3.32Å; M85-G87 PolarHBondContact O-N 2.89Å; M85-L88 PolarHBondContact O-N 2.99Å; M85-L88 HydrophobicContact SD-CD1 4.44Å; M85-L89 PolarHBondContact O-N 2.84Å; M85-Y141 HydrophobicContact CB-CE2 4.47Å; M85-Y141 HydrophobicContact CE-CD2 3.56Å; M85-Y141 HydrophobicContact CE-CE2 3.6Å; M85-Y141 HydrophobicContact CE-CG 4.46Å; M85-Y141 HydrophobicContact SD-CD2 4.18Å; M85-Y141 HydrophobicContact SD-CE2 4.24Å; M85-F144 HydrophobicContact CE-CB 4.36Å; M85-L145 HydrophobicContact CE-CB 4.38Å; M85-M148 HydrophobicContact CE-SD 4.24Å; M85-M148 HydrophobicContact CG-SD 3.88Å; M85-M148 HydrophobicContact SD-SD 4.29Å; M85-I155 HydrophobicContact CB-CD1 4.17Å; M85-I155 HydrophobicContact CB-CG2 3.91Å; M85-I155 HydrophobicContact CG-CD1 4.25Å |
| 86 | R | 98.3 | Very high | 98 | Very high | 64 Ų | 64 | 35.5 Ų | 35.5 | 24% | 0.242 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.2 | -29.9 | 172.3 | -71 | -168.3 | 62.4 | 73.2 | 6.6 | 113.4 | V82 L84 L89 H90 I155 H157 E161 | V82-R86 HydrophobicContact CG1-CG 4.33Å; V82-R86 WeakPolarHBondContact O-CB 3.5Å; V82-R86 WeakPolarHBondContact O-CG 3.15Å; V82-R86 PolarHBondContact O-N 3.42Å; L84-R86 VanDerWaalsContact C-N 3.34Å; L84-R86 PolarHBondContact O-N 2.95Å; R86-L89 PolarHBondContact O-N 2.97Å; R86-H90 WeakPolarHBondContact O-CB 3.4Å; R86-H90 PolarHBondContact O-N 3.39Å; R86-I155 WeakPolarHBondContact CD-O 3.38Å; R86-I155 HydrophobicContact CG-CG2 4.07Å; R86-I155 WeakPolarHBondContact CG-O 3.46Å; R86-I155 PolarHBondContact NH1-O 3.13Å; R86-H157 VanDerWaalsContact NH1-CG 3.31Å; R86-E161 IonicContact CZ-OE1 2.76Å; R86-E161 IonicContact CZ-OE2 2.71Å; R86-E161 IonicContact NH1-OE1 2.8Å; R86-E161 PolarHBondContact NH1-OE1 2.93Å; R86-E161 IonicContact NH1-OE2 3.21Å; R86-E161 PolarHBondContact NH1-OE2 2.96Å; R86-E161 IonicContact NH2-OE1 3.86Å; R86-E161 PolarHBondContact NH2-OE1 2.87Å; R86-E161 IonicContact NH2-OE2 2.8Å |
| 87 | G | 98.3 | Very high | 98 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 6% | 0.062 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T30 K83 L84 M85 H90 C91 | T30-G87 VanDerWaalsContact O-CA 3.3Å; T30-G87 WeakPolarHBondContact O-CA 3.43Å; K83-G87 PolarHBondContact O-N 2.98Å; L84-G87 WeakPolarHBondContact O-CA 3.23Å; L84-G87 PolarHBondContact O-N 2.84Å; M85-G87 VanDerWaalsContact C-N 3.32Å; M85-G87 PolarHBondContact O-N 2.89Å; G87-H90 PolarHBondContact O-N 3.1Å; G87-C91 PolarHBondContact O-N 3.49Å; G87-C91 VanDerWaalsContact O-N 3.14Å; G87-C91 PolarHBondContact O-SG 3.22Å |
| 88 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 174.5 | -65.4 | 174.9 | 0 | 0 | 0 | 111.8 | L32 V44 N47 V48 L84 M85 H90 C91 M92 Y141 | L32-L88 HydrophobicContact CD2-CD2 3.58Å; L32-L88 HydrophobicContact CD2-CG 3.87Å; V44-L88 HydrophobicContact CB-CD2 4.46Å; V44-L88 HydrophobicContact CG1-CD1 4.37Å; V44-L88 HydrophobicContact CG2-CD2 4.21Å; N47-L88 HydrophobicContact CB-CD1 4Å; N47-L88 HydrophobicContact CB-CD2 4.15Å; N47-L88 HydrophobicContact CB-CG 4.48Å; V48-L88 HydrophobicContact CG2-CD1 3.66Å; L84-L88 HydrophobicContact CD2-CD1 3.89Å; L84-L88 HydrophobicContact CD2-CG 4.45Å; L84-L88 PolarHBondContact O-N 2.77Å; M85-L88 PolarHBondContact O-N 2.99Å; M85-L88 HydrophobicContact SD-CD1 4.44Å; L88-H90 VanDerWaalsContact C-N 3.29Å; L88-H90 PolarHBondContact O-N 3.47Å; L88-C91 WeakPolarHBondContact O-CB 3.36Å; L88-C91 PolarHBondContact O-N 3.39Å; L88-C91 VanDerWaalsContact O-N 3.12Å; L88-M92 WeakPolarHBondContact O-CG 3.48Å; L88-M92 PolarHBondContact O-N 2.85Å; L88-Y141 HydrophobicContact CB-CD2 4.02Å; L88-Y141 HydrophobicContact CB-CE2 3.95Å; L88-Y141 HydrophobicContact CD1-CD2 3.94Å; L88-Y141 HydrophobicContact CD1-CE2 4.47Å |
| 89 | L | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.5 | -44.4 | 173.9 | -176.2 | 57.9 | 0 | 0 | 0 | 111.7 | M85 R86 C91 M92 I93 I156 E161 F164 I165 | M85-L89 PolarHBondContact O-N 2.84Å; R86-L89 PolarHBondContact O-N 2.97Å; L89-C91 VanDerWaalsContact C-N 3.34Å; L89-C91 PolarHBondContact O-N 3.36Å; L89-M92 PolarHBondContact O-N 3.15Å; L89-I93 HydrophobicContact CD1-CD1 3.88Å; L89-I93 HydrophobicContact CD1-CG1 4.12Å; L89-I93 HydrophobicContact CD2-CD1 4.39Å; L89-I93 HydrophobicContact CG-CD1 3.75Å; L89-I93 HydrophobicContact CG-CG1 4.35Å; L89-I93 WeakPolarHBondContact O-CG1 3.38Å; L89-I93 PolarHBondContact O-N 3.26Å; L89-I156 HydrophobicContact CD2-CD1 3.67Å; L89-E161 HydrophobicContact CD2-CG 4.27Å; L89-F164 HydrophobicContact CD1-CD1 3.86Å; L89-F164 HydrophobicContact CD1-CE1 4.08Å; L89-I165 HydrophobicContact CD1-CD1 3.89Å |
| 90 | H | 98 | Very high | 97.9 | Very high | 92 Ų | 92 | 32 Ų | 32 | 43% | 0.426 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65 | -36.4 | 177.9 | -170.8 | 71 | 0 | 0 | 0 | 112.7 | R86 G87 L88 R94 | R86-H90 WeakPolarHBondContact O-CB 3.4Å; R86-H90 PolarHBondContact O-N 3.39Å; G87-H90 PolarHBondContact O-N 3.1Å; L88-H90 VanDerWaalsContact C-N 3.29Å; L88-H90 PolarHBondContact O-N 3.47Å; H90-R94 PolarHBondContact NE2-NE 2.97Å; H90-R94 VanDerWaalsContact NE2-NE 3.13Å; H90-R94 VanDerWaalsContact O-CG 3.3Å; H90-R94 WeakPolarHBondContact O-CG 3.27Å; H90-R94 PolarHBondContact O-N 3.32Å |
| 91 | C | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 172.2 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | G87 L88 L89 Q95 Y116 C121 | G87-C91 PolarHBondContact O-N 3.49Å; G87-C91 VanDerWaalsContact O-N 3.14Å; G87-C91 PolarHBondContact O-SG 3.22Å; L88-C91 WeakPolarHBondContact O-CB 3.36Å; L88-C91 PolarHBondContact O-N 3.39Å; L88-C91 VanDerWaalsContact O-N 3.12Å; L89-C91 VanDerWaalsContact C-N 3.34Å; L89-C91 PolarHBondContact O-N 3.36Å; C91-Q95 PolarHBondContact O-NE2 3.42Å; C91-Y116 HydrophobicContact CB-CD1 3.64Å; C91-Y116 HydrophobicContact CB-CD2 3.64Å; C91-Y116 HydrophobicContact CB-CE1 3.62Å; C91-Y116 HydrophobicContact CB-CE2 3.64Å; C91-Y116 HydrophobicContact CB-CG 3.63Å; C91-Y116 VanDerWaalsContact SG-CG 3.57Å; C91-C121 WeakPolarHBondContact SG-CB 3.4Å; C91-C121 VanDerWaalsContact SG-SG 3.63Å |
| 92 | M | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.8 | -45.6 | 179.2 | -64.7 | 175.2 | -173.5 | 0 | 0 | 112 | V44 L88 L89 R94 Q95 L112 Y141 F164 L168 | V44-M92 HydrophobicContact CG1-CE 3.71Å; V44-M92 HydrophobicContact CG2-CE 4.08Å; L88-M92 WeakPolarHBondContact O-CG 3.48Å; L88-M92 PolarHBondContact O-N 2.85Å; L89-M92 PolarHBondContact O-N 3.15Å; M92-R94 PolarHBondContact O-N 3.18Å; M92-Q95 PolarHBondContact O-N 2.89Å; M92-L112 HydrophobicContact CG-CD1 4.48Å; M92-Y141 HydrophobicContact CE-CD1 3.9Å; M92-Y141 HydrophobicContact CE-CD2 4.38Å; M92-Y141 HydrophobicContact CE-CG 3.83Å; M92-Y141 HydrophobicContact SD-CD1 3.94Å; M92-Y141 HydrophobicContact SD-CE1 4.11Å; M92-Y141 HydrophobicContact SD-CG 4.45Å; M92-F164 VanDerWaalsContact C-CZ 3.43Å; M92-F164 HydrophobicContact CB-CE1 3.78Å; M92-F164 HydrophobicContact CB-CZ 3.8Å; M92-F164 WeakPolarHBondContact O-CZ 3.45Å; M92-L168 HydrophobicContact SD-CD1 3.94Å |
| 93 | I | 97.6 | Very high | 97.2 | Very high | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.195 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -32.8 | 178.6 | -72.6 | 174.6 | 0 | 0 | 0 | 111.8 | L89 Q95 V96 E161 F164 M492 | L89-I93 HydrophobicContact CD1-CD1 3.88Å; L89-I93 HydrophobicContact CD1-CG1 4.12Å; L89-I93 HydrophobicContact CD2-CD1 4.39Å; L89-I93 HydrophobicContact CG-CD1 3.75Å; L89-I93 HydrophobicContact CG-CG1 4.35Å; L89-I93 WeakPolarHBondContact O-CG1 3.38Å; L89-I93 PolarHBondContact O-N 3.26Å; I93-Q95 PolarHBondContact O-N 2.83Å; I93-Q95 VanDerWaalsContact O-N 3.09Å; I93-V96 WeakPolarHBondContact O-CB 3.44Å; I93-V96 PolarHBondContact O-N 3.42Å; I93-V96 VanDerWaalsContact O-N 3.15Å; I93-E161 HydrophobicContact CD1-CG 4.12Å; I93-F164 HydrophobicContact CB-CZ 4.47Å; I93-F164 HydrophobicContact CD1-CD1 4.21Å; I93-F164 HydrophobicContact CD1-CG 4.45Å; I93-F164 HydrophobicContact CG1-CB 4.48Å; I93-F164 HydrophobicContact CG1-CD1 3.48Å; I93-F164 VanDerWaalsContact CG1-CD1 3.48Å; I93-F164 HydrophobicContact CG1-CD2 4.05Å; I93-F164 HydrophobicContact CG1-CE1 3.58Å; I93-F164 HydrophobicContact CG1-CE2 4.16Å; I93-F164 HydrophobicContact CG1-CG 3.73Å; I93-F164 HydrophobicContact CG1-CZ 3.95Å; I93-M492 HydrophobicContact CG2-CE 4.3Å |
| 94 | R | 96.8 | Very high | 96.6 | Very high | 135 Ų | 135 | 35 Ų | 35 | 51% | 0.509 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -10.2 | 173.7 | -81 | 173.1 | 154.6 | -145.9 | -4.4 | 115.1 | H90 M92 T120 C121 | H90-R94 PolarHBondContact NE2-NE 2.97Å; H90-R94 VanDerWaalsContact NE2-NE 3.13Å; H90-R94 VanDerWaalsContact O-CG 3.3Å; H90-R94 WeakPolarHBondContact O-CG 3.27Å; H90-R94 PolarHBondContact O-N 3.32Å; M92-R94 PolarHBondContact O-N 3.18Å; R94-T120 PolarHBondContact NH1-O 2.96Å; R94-C121 VanDerWaalsContact CD-O 3.28Å; R94-C121 WeakPolarHBondContact CD-O 3.42Å; R94-C121 PolarHBondContact NH1-O 2.65Å |
| 95 | Q | 96.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 30.2 | 177.2 | -66.6 | 164.3 | 98.9 | 0 | 0 | 111.1 | C91 M92 I93 D97 K98 V99 L112 H113 Y116 | C91-Q95 PolarHBondContact O-NE2 3.42Å; M92-Q95 PolarHBondContact O-N 2.89Å; I93-Q95 PolarHBondContact O-N 2.83Å; I93-Q95 VanDerWaalsContact O-N 3.09Å; Q95-D97 PolarHBondContact O-N 3.24Å; Q95-K98 HydrophobicContact CB-CB 4.28Å; Q95-K98 HydrophobicContact CB-CD 4.14Å; Q95-K98 HydrophobicContact CG-CD 4.23Å; Q95-K98 WeakPolarHBondContact O-CA 3.42Å; Q95-K98 VanDerWaalsContact O-CB 3.3Å; Q95-K98 WeakPolarHBondContact O-CB 3.41Å; Q95-K98 PolarHBondContact O-N 2.84Å; Q95-V99 PolarHBondContact O-N 2.95Å; Q95-L112 HydrophobicContact CB-CD2 3.58Å; Q95-L112 HydrophobicContact CG-CD2 4.48Å; Q95-H113 PolarHBondContact OE1-CD2 3.45Å; Q95-H113 VanDerWaalsContact OE1-CD2 3.25Å; Q95-Y116 VanDerWaalsContact NE2-CE1 3.26Å; Q95-Y116 PolarHBondContact NE2-OH 3.48Å |
| 96 | V | 97.5 | Very high | 95.7 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 14% | 0.139 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.7 | -36.2 | -178.3 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | I93 K98 V99 E100 F164 M492 L494 | I93-V96 WeakPolarHBondContact O-CB 3.44Å; I93-V96 PolarHBondContact O-N 3.42Å; I93-V96 VanDerWaalsContact O-N 3.15Å; V96-K98 VanDerWaalsContact C-N 3.25Å; V96-K98 PolarHBondContact O-N 2.91Å; V96-V99 WeakPolarHBondContact O-CB 3.36Å; V96-V99 PolarHBondContact O-N 3.48Å; V96-V99 VanDerWaalsContact O-N 3.16Å; V96-E100 PolarHBondContact O-N 2.88Å; V96-F164 HydrophobicContact CB-CE2 4.16Å; V96-F164 HydrophobicContact CG2-CD2 4.04Å; V96-F164 HydrophobicContact CG2-CE2 4.07Å; V96-M492 HydrophobicContact CG2-CB 4.19Å; V96-L494 HydrophobicContact CG2-CD1 3.95Å; V96-L494 HydrophobicContact CG2-CD2 3.67Å; V96-L494 HydrophobicContact CG2-CG 3.81Å |
| 97 | D | 97.1 | Very high | 95.2 | Very high | 101 Ų | 101 | 38.5 Ų | 38.5 | 54% | 0.54 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62 | -32.3 | 175.8 | -58.2 | -56.8 | 0 | 0 | 0 | 112.2 | Q95 S101 | Q95-D97 PolarHBondContact O-N 3.24Å; D97-S101 WeakPolarHBondContact O-CB 3.34Å; D97-S101 PolarHBondContact O-N 3.28Å; D97-S101 VanDerWaalsContact O-N 3.07Å; D97-S101 PolarHBondContact O-OG 2.91Å |
| 98 | K | 96.8 | Very high | 94.8 | Very high | 33 Ų | 33 | 40.8 Ų | 40.8 | 14% | 0.143 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.6 | -44.3 | 174 | -83.2 | 175.4 | 164.2 | -94 | 0 | 111.4 | Q95 V96 E100 S101 F102 K109 D110 S111 D127 H132 | Q95-K98 HydrophobicContact CB-CB 4.28Å; Q95-K98 HydrophobicContact CB-CD 4.14Å; Q95-K98 HydrophobicContact CG-CD 4.23Å; Q95-K98 WeakPolarHBondContact O-CA 3.42Å; Q95-K98 VanDerWaalsContact O-CB 3.3Å; Q95-K98 WeakPolarHBondContact O-CB 3.41Å; Q95-K98 PolarHBondContact O-N 2.84Å; V96-K98 VanDerWaalsContact C-N 3.25Å; V96-K98 PolarHBondContact O-N 2.91Å; K98-E100 VanDerWaalsContact C-N 3.29Å; K98-E100 PolarHBondContact O-N 2.97Å; K98-S101 PolarHBondContact O-N 3.35Å; K98-F102 VanDerWaalsContact O-CB 3.29Å; K98-F102 WeakPolarHBondContact O-CB 3.37Å; K98-F102 PolarHBondContact O-N 3.29Å; K98-K109 PolarHBondContact NZ-O 3.01Å; K98-D110 CarbonylContact C-O 3.51Å; K98-D110 VanDerWaalsContact CB-O 3.27Å; K98-D110 WeakPolarHBondContact CB-O 3.35Å; K98-S111 WeakPolarHBondContact CD-O 3.5Å; K98-S111 PolarHBondContact NZ-O 2.95Å; K98-D127 WeakPolarHBondContact CE-OD1 3.07Å; K98-D127 IonicContact NZ-OD1 3.11Å; K98-D127 PolarHBondContact NZ-OD1 2.76Å; K98-D127 IonicContact NZ-OD2 3.32Å; K98-H132 PolarHBondContact NZ-NE2 3.03Å |
| 99 | V | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57 | -44.8 | 174.8 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | Q95 V96 K103 L112 F164 N167 L168 Y171 | Q95-V99 PolarHBondContact O-N 2.95Å; V96-V99 WeakPolarHBondContact O-CB 3.36Å; V96-V99 PolarHBondContact O-N 3.48Å; V96-V99 VanDerWaalsContact O-N 3.16Å; V99-K103 PolarHBondContact O-N 3.05Å; V99-L112 HydrophobicContact CG2-CD1 4.07Å; V99-L112 HydrophobicContact CG2-CD2 3.75Å; V99-L112 HydrophobicContact CG2-CG 4.08Å; V99-F164 HydrophobicContact CG2-CE2 3.93Å; V99-F164 HydrophobicContact CG2-CZ 4.08Å; V99-N167 HydrophobicContact CG1-CB 4.01Å; V99-L168 HydrophobicContact CG1-CD2 4.12Å; V99-L168 HydrophobicContact CG2-CD2 3.9Å; V99-Y171 HydrophobicContact CG1-CD2 4.42Å |
| 100 | E | 96.7 | Very high | 94.1 | Very high | 35 Ų | 35 | 48 Ų | 48 | 16% | 0.164 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 176 | -177.8 | 54.3 | -142.7 | 0 | 0 | 112 | V96 K98 K103 L494 S495 | V96-E100 PolarHBondContact O-N 2.88Å; K98-E100 VanDerWaalsContact C-N 3.29Å; K98-E100 PolarHBondContact O-N 2.97Å; E100-K103 IonicContact OE1-NZ 3.95Å; E100-K103 VanDerWaalsContact OE2-CE 3.26Å; E100-K103 WeakPolarHBondContact OE2-CE 3.31Å; E100-K103 IonicContact OE2-NZ 2.98Å; E100-K103 PolarHBondContact OE2-NZ 2.91Å; E100-L494 HydrophobicContact CB-CD2 4.27Å; E100-L494 WeakPolarHBondContact OE2-CA 3.07Å; E100-S495 VanDerWaalsContact CD-OG 3.24Å; E100-S495 WeakPolarHBondContact OE1-CB 3.22Å; E100-S495 PolarHBondContact OE1-OG 2.69Å; E100-S495 PolarHBondContact OE2-N 2.8Å; E100-S495 PolarHBondContact OE2-OG 2.74Å |
| 101 | S | 95.6 | Very high | 94 | Very high | 53 Ų | 53 | 43.6 Ų | 43.6 | 37% | 0.371 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.1 | -40.2 | -176.1 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | D97 K98 K103 Y104 S105 | D97-S101 WeakPolarHBondContact O-CB 3.34Å; D97-S101 PolarHBondContact O-N 3.28Å; D97-S101 VanDerWaalsContact O-N 3.07Å; D97-S101 PolarHBondContact O-OG 2.91Å; K98-S101 PolarHBondContact O-N 3.35Å; S101-K103 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 3.17Å; S101-Y104 PolarHBondContact O-N 3.41Å; S101-S105 PolarHBondContact O-N 3.35Å; S101-S105 VanDerWaalsContact O-N 3.08Å; S101-S105 PolarHBondContact O-OG 3.5Å |
| 102 | F | 94.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -31.4 | -176.6 | -170.6 | -94.5 | 0 | 0 | 0 | 113.6 | K98 Y104 S105 Q106 S107 D110 L133 L135 Y171 T178 | K98-F102 VanDerWaalsContact O-CB 3.29Å; K98-F102 WeakPolarHBondContact O-CB 3.37Å; K98-F102 PolarHBondContact O-N 3.29Å; F102-Y104 PolarHBondContact O-N 2.86Å; F102-S105 PolarHBondContact O-N 3.34Å; F102-Q106 VanDerWaalsContact CE2-C 3.46Å; F102-Q106 PolarHBondContact O-N 3.01Å; F102-S107 WeakPolarHBondContact CD2-O 3.18Å; F102-S107 WeakPolarHBondContact CE2-O 3.41Å; F102-D110 HydrophobicContact CB-CB 4.3Å; F102-D110 HydrophobicContact CD2-CB 4.41Å; F102-L133 HydrophobicContact CE2-CD1 3.75Å; F102-L133 HydrophobicContact CE2-CD2 4.47Å; F102-L133 HydrophobicContact CZ-CD1 3.65Å; F102-L135 HydrophobicContact CE1-CD2 4.35Å; F102-L135 HydrophobicContact CZ-CD2 4.2Å; F102-Y171 HydrophobicContact CB-CD2 3.83Å; F102-Y171 HydrophobicContact CB-CE2 3.66Å; F102-Y171 HydrophobicContact CD1-CD1 4.35Å; F102-Y171 AromaticContact CD1-CD2 3.27Å; F102-Y171 HydrophobicContact CD1-CD2 3.27Å; F102-Y171 HydrophobicContact CD1-CE1 4.33Å; F102-Y171 AromaticContact CD1-CE2 3.25Å; F102-Y171 HydrophobicContact CD1-CE2 3.25Å; F102-Y171 AromaticContact CD1-CG 3.84Å; F102-Y171 HydrophobicContact CD1-CG 3.84Å; F102-Y171 AromaticContact CD1-CZ 3.8Å; F102-Y171 AromaticContact CD2-CE2 3.99Å; F102-Y171 HydrophobicContact CD2-CE2 3.99Å; F102-Y171 HydrophobicContact CE1-CD1 4.25Å; F102-Y171 AromaticContact CE1-CD2 3.97Å; F102-Y171 HydrophobicContact CE1-CD2 3.97Å; F102-Y171 HydrophobicContact CE1-CE1 4.08Å; F102-Y171 AromaticContact CE1-CE2 3.79Å; F102-Y171 HydrophobicContact CE1-CE2 3.79Å; F102-Y171 HydrophobicContact CE1-CG 4.17Å; F102-Y171 AromaticContact CE1-CZ 3.82Å; F102-Y171 HydrophobicContact CE2-CE2 4.45Å; F102-Y171 AromaticContact CG-CD2 3.72Å; F102-Y171 HydrophobicContact CG-CD2 3.72Å; F102-Y171 AromaticContact CG-CE2 3.35Å; F102-Y171 HydrophobicContact CG-CE2 3.35Å; F102-Y171 HydrophobicContact CZ-CE2 4.34Å; F102-T178 HydrophobicContact CZ-CG2 3.98Å |
| 103 | K | 90.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.2 | -25.5 | 175.3 | -74.7 | -176.2 | -54.9 | -175.6 | 0 | 113.4 | V99 E100 S101 N167 F170 S495 G496 P498 | V99-K103 PolarHBondContact O-N 3.05Å; E100-K103 IonicContact OE1-NZ 3.95Å; E100-K103 VanDerWaalsContact OE2-CE 3.26Å; E100-K103 WeakPolarHBondContact OE2-CE 3.31Å; E100-K103 IonicContact OE2-NZ 2.98Å; E100-K103 PolarHBondContact OE2-NZ 2.91Å; S101-K103 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 3.17Å; K103-N167 PolarHBondContact NZ-OD1 2.96Å; K103-F170 HydrophobicContact CD-CB 3.92Å; K103-F170 HydrophobicContact CD-CD2 4.18Å; K103-F170 HydrophobicContact CG-CB 4.12Å; K103-S495 PolarHBondContact NZ-OG 3.3Å; K103-G496 PolarHBondContact NZ-O 2.9Å; K103-P498 HydrophobicContact CB-CG 3.8Å; K103-P498 HydrophobicContact CD-CG 4.33Å; K103-P498 HydrophobicContact CG-CG 4.45Å |
| 104 | Y | 87.5 | Confident | 93.5 | Very high | 128 Ų | 128 | 42.3 Ų | 42.3 | 50% | 0.502 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -105.3 | -47.4 | 177.7 | -57.4 | -81.8 | 0 | 0 | 0 | 112.2 | S101 F102 S495 P498 | S101-Y104 PolarHBondContact O-N 3.41Å; F102-Y104 PolarHBondContact O-N 2.86Å; Y104-S495 PolarHBondContact OH-OG 3.32Å; Y104-P498 HydrophobicContact CE1-CB 3.9Å; Y104-P498 HydrophobicContact CE1-CG 4.17Å |
| 105 | S | 88.9 | Confident | 93.4 | Very high | 54 Ų | 54 | 36.8 Ų | 36.8 | 38% | 0.378 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -81.5 | -31 | -170.8 | 74 | 0 | 0 | 0 | 0 | 114.6 | S101 F102 S107 D110 | S101-S105 PolarHBondContact O-N 3.35Å; S101-S105 VanDerWaalsContact O-N 3.08Å; S101-S105 PolarHBondContact O-OG 3.5Å; F102-S105 PolarHBondContact O-N 3.34Å; S105-S107 PolarHBondContact O-N 2.92Å; S105-S107 PolarHBondContact OG-N 3.36Å; S105-D110 WeakPolarHBondContact CB-OD2 3.41Å; S105-D110 WeakPolarHBondContact OG-CB 3.5Å; S105-D110 VanDerWaalsContact OG-CG 3.3Å; S105-D110 PolarHBondContact OG-OD2 3.11Å |
| 106 | Q | 88.9 | Confident | 93.4 | Very high | 48 Ų | 48 | 36 Ų | 36 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | trans | 47.6 | 25.7 | -169.2 | -67.2 | 147.1 | 76.5 | 0 | 0 | 113.3 | F102 A174 T178 | F102-Q106 VanDerWaalsContact CE2-C 3.46Å; F102-Q106 PolarHBondContact O-N 3.01Å; Q106-A174 HydrophobicContact CG-CB 4.32Å; Q106-T178 HydrophobicContact CB-CG2 4.17Å; Q106-T178 PolarHBondContact OE1-OG1 2.96Å | ||
| 107 | S | 87.7 | Confident | 93.4 | Very high | 36 Ų | 36 | 37.2 Ų | 37.2 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | trans | -87.8 | 154.6 | -170.4 | 98.8 | 0 | 0 | 0 | 0 | 112.1 | F102 S105 K109 D110 S111 | F102-S107 WeakPolarHBondContact CD2-O 3.18Å; F102-S107 WeakPolarHBondContact CE2-O 3.41Å; S105-S107 PolarHBondContact O-N 2.92Å; S105-S107 PolarHBondContact OG-N 3.36Å; S107-K109 PolarHBondContact O-N 2.95Å; S107-K109 PolarHBondContact OG-N 3.41Å; S107-D110 WeakPolarHBondContact CB-OD2 3.37Å; S107-D110 PolarHBondContact O-N 3Å; S107-D110 PolarHBondContact OG-N 3.02Å; S107-D110 PolarHBondContact OG-OD2 2.65Å; S107-S111 PolarHBondContact O-N 3.02Å | ||
| 108 | T | 89.2 | Confident | 93.3 | Very high | 53 Ų | 53 | 33 Ų | 33 | 33% | 0.325 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -35.9 | 172.8 | 50 | 0 | 0 | 0 | 0 | 112.2 | S111 H132 L133 F181 | T108-S111 WeakPolarHBondContact O-CB 3.43Å; T108-S111 PolarHBondContact O-N 3.14Å; T108-S111 PolarHBondContact O-OG 3.29Å; T108-H132 PolarHBondContact O-CE1 3.32Å; T108-H132 PolarHBondContact O-NE2 2.94Å; T108-L133 HydrophobicContact CG2-CB 4.25Å; T108-L133 HydrophobicContact CG2-CD2 3.84Å; T108-F181 HydrophobicContact CG2-CE2 3.86Å; T108-F181 HydrophobicContact CG2-CZ 4.34Å |
| 109 | K | 90.6 | Very high | 93.2 | Very high | 106 Ų | 106 | 39.1 Ų | 39.1 | 46% | 0.461 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -37.1 | -177.7 | -63.9 | -169.4 | 174.5 | -132.6 | 0 | 112.9 | K98 S107 S111 D128 | K98-K109 PolarHBondContact NZ-O 3.01Å; S107-K109 PolarHBondContact O-N 2.95Å; S107-K109 PolarHBondContact OG-N 3.41Å; K109-S111 VanDerWaalsContact C-N 3.29Å; K109-D128 WeakPolarHBondContact CE-OD1 3.34Å; K109-D128 VanDerWaalsContact NZ-CG 3.34Å; K109-D128 IonicContact NZ-OD1 3.84Å; K109-D128 PolarHBondContact NZ-OD1 2.93Å; K109-D128 IonicContact NZ-OD2 3.73Å; K109-D128 PolarHBondContact NZ-OD2 3.33Å |
| 110 | D | 93 | Very high | 93.1 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -2.4 | -178.4 | -51.1 | -55.1 | 0 | 0 | 0 | 112.1 | K98 F102 S105 S107 | K98-D110 CarbonylContact C-O 3.51Å; K98-D110 VanDerWaalsContact CB-O 3.27Å; K98-D110 WeakPolarHBondContact CB-O 3.35Å; F102-D110 HydrophobicContact CB-CB 4.3Å; F102-D110 HydrophobicContact CD2-CB 4.41Å; S105-D110 WeakPolarHBondContact CB-OD2 3.41Å; S105-D110 WeakPolarHBondContact OG-CB 3.5Å; S105-D110 VanDerWaalsContact OG-CG 3.3Å; S105-D110 PolarHBondContact OG-OD2 3.11Å; S107-D110 WeakPolarHBondContact CB-OD2 3.37Å; S107-D110 PolarHBondContact O-N 3Å; S107-D110 PolarHBondContact OG-N 3.02Å; S107-D110 PolarHBondContact OG-OD2 2.65Å |
| 111 | S | 95 | Very high | 93 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -72.3 | 150.6 | -179 | 77 | 0 | 0 | 0 | 0 | 113.1 | K98 S107 T108 K109 H132 L133 Y171 | K98-S111 WeakPolarHBondContact CD-O 3.5Å; K98-S111 PolarHBondContact NZ-O 2.95Å; S107-S111 PolarHBondContact O-N 3.02Å; T108-S111 WeakPolarHBondContact O-CB 3.43Å; T108-S111 PolarHBondContact O-N 3.14Å; T108-S111 PolarHBondContact O-OG 3.29Å; K109-S111 VanDerWaalsContact C-N 3.29Å; S111-H132 PolarHBondContact O-CD2 2.58Å; S111-H132 VanDerWaalsContact O-CD2 3.28Å; S111-H132 PolarHBondContact O-NE2 2.86Å; S111-H132 PolarHBondContact OG-CD2 3.35Å; S111-H132 PolarHBondContact OG-NE2 3.07Å; S111-H132 VanDerWaalsContact OG-NE2 3.13Å; S111-L133 WeakPolarHBondContact OG-CA 3.3Å; S111-L133 WeakPolarHBondContact OG-CB 3.34Å; S111-L133 PolarHBondContact OG-N 2.92Å; S111-Y171 WeakPolarHBondContact CA-OH 3.26Å; S111-Y171 WeakPolarHBondContact CB-OH 3.49Å |
| 112 | L | 96.3 | Very high | 93 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 142 | 172.7 | -75.1 | 176.5 | 0 | 0 | 0 | 111.2 | M92 Q95 V99 H132 T138 L168 Y171 | M92-L112 HydrophobicContact CG-CD1 4.48Å; Q95-L112 HydrophobicContact CB-CD2 3.58Å; Q95-L112 HydrophobicContact CG-CD2 4.48Å; V99-L112 HydrophobicContact CG2-CD1 4.07Å; V99-L112 HydrophobicContact CG2-CD2 3.75Å; V99-L112 HydrophobicContact CG2-CG 4.08Å; L112-H132 VanDerWaalsContact O-O 3.13Å; L112-T138 HydrophobicContact CD1-CG2 4.48Å; L112-L168 HydrophobicContact CD1-CD2 3.73Å; L112-Y171 HydrophobicContact CB-CE2 4.48Å; L112-Y171 HydrophobicContact CD1-CE1 4.49Å; L112-Y171 HydrophobicContact CD1-CE2 4.29Å; L112-Y171 HydrophobicContact CG-CE2 3.97Å; L112-Y171 PolarHBondContact N-OH 3.16Å |
| 113 | H | 95.3 | Very high | 93 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 135 | 171.9 | -78.9 | -119.2 | 0 | 0 | 0 | 111.3 | Q95 Y116 T123 V125 D127 H132 | Q95-H113 PolarHBondContact OE1-CD2 3.45Å; Q95-H113 VanDerWaalsContact OE1-CD2 3.25Å; H113-Y116 HydrophobicContact CB-CE1 4.01Å; H113-Y116 WeakPolarHBondContact O-CE2 3.3Å; H113-Y116 PolarHBondContact O-OH 3.18Å; H113-T123 HydrophobicContact CB-CG2 3.88Å; H113-T123 VanDerWaalsContact CG-CG2 3.45Å; H113-V125 PolarHBondContact CE1-O 3.11Å; H113-D127 IonicContact CD2-OD1 3.67Å; H113-D127 IonicContact CE1-OD1 2.78Å; H113-D127 IonicContact NE2-OD1 2.75Å; H113-D127 PolarHBondContact NE2-OD1 3.42Å; H113-H132 AromaticContact CD2-CD2 3.61Å; H113-H132 AromaticContact NE2-CD2 3.79Å; H113-H132 AromaticContact NE2-NE2 3.84Å |
| 114 | A | 93 | Very high | 93.2 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -88.4 | -5.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | W43 V44 W130 Q134 A137 | W43-A114 WeakPolarHBondContact CA-O 3.49Å; V44-A114 WeakPolarHBondContact CG2-O 3.36Å; V44-A114 PolarHBondContact N-O 2.95Å; A114-W130 HydrophobicContact CB-CH2 3.94Å; A114-W130 HydrophobicContact CB-CZ3 3.92Å; A114-Q134 HydrophobicContact CB-CB 3.99Å; A114-Q134 HydrophobicContact CB-CG 4.13Å; A114-A137 HydrophobicContact CB-CB 4.3Å |
| 115 | K | 94.5 | Very high | 93.3 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 9% | 0.087 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.5 | 178.2 | 67.6 | -178.3 | 179.8 | -168.8 | 0 | 113.2 | A42 W43 V124 W130 | A42-K115 CarbonylContact O-C 3.54Å; A42-K115 WeakPolarHBondContact O-CA 3.04Å; W43-K115 HydrophobicContact CD2-CB 3.71Å; W43-K115 HydrophobicContact CD2-CD 4.19Å; W43-K115 HydrophobicContact CE3-CB 4.1Å; W43-K115 HydrophobicContact CG-CB 3.92Å; W43-K115 HydrophobicContact CH2-CD 3.9Å; W43-K115 HydrophobicContact CZ2-CD 3.47Å; W43-K115 VanDerWaalsContact CZ2-CD 3.47Å; W43-K115 HydrophobicContact CZ3-CD 4.4Å; K115-V124 HydrophobicContact CD-CG2 4.15Å; K115-V124 HydrophobicContact CG-CG2 3.78Å; K115-W130 HydrophobicContact CB-CH2 4.23Å; K115-W130 HydrophobicContact CB-CZ3 4.49Å; K115-W130 HydrophobicContact CD-CD2 4.24Å; K115-W130 HydrophobicContact CD-CE3 4.17Å; K115-W130 HydrophobicContact CD-CH2 3.7Å; K115-W130 HydrophobicContact CD-CZ2 3.72Å; K115-W130 HydrophobicContact CD-CZ3 3.94Å; K115-W130 HydrophobicContact CG-CE3 4.26Å; K115-W130 HydrophobicContact CG-CH2 3.83Å; K115-W130 HydrophobicContact CG-CZ2 4.36Å; K115-W130 HydrophobicContact CG-CZ3 3.77Å; K115-W130 VanDerWaalsContact NZ-CE2 3.27Å |
| 116 | Y | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 159.2 | -169.3 | -61.2 | -75.3 | 0 | 0 | 0 | 113.4 | D41 A42 V44 C91 Q95 H113 T118 A122 | D41-Y116 CarbonylContact C-O 3.58Å; D41-Y116 WeakPolarHBondContact CA-O 3.36Å; A42-Y116 PolarHBondContact N-O 2.87Å; A42-Y116 PolarHBondContact O-N 3.18Å; V44-Y116 HydrophobicContact CG2-CD2 4.18Å; V44-Y116 HydrophobicContact CG2-CE2 3.61Å; C91-Y116 HydrophobicContact CB-CD1 3.64Å; C91-Y116 HydrophobicContact CB-CD2 3.64Å; C91-Y116 HydrophobicContact CB-CE1 3.62Å; C91-Y116 HydrophobicContact CB-CE2 3.64Å; C91-Y116 HydrophobicContact CB-CG 3.63Å; C91-Y116 VanDerWaalsContact SG-CG 3.57Å; Q95-Y116 VanDerWaalsContact NE2-CE1 3.26Å; Q95-Y116 PolarHBondContact NE2-OH 3.48Å; H113-Y116 HydrophobicContact CB-CE1 4.01Å; H113-Y116 WeakPolarHBondContact O-CE2 3.3Å; H113-Y116 PolarHBondContact O-OH 3.18Å; Y116-T118 PolarHBondContact O-N 3.48Å; Y116-A122 CarbonylContact C-O 3.59Å; Y116-A122 WeakPolarHBondContact CA-O 3.27Å |
| 117 | N | 96.4 | Very high | 93.1 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 116 | 170.9 | -172.2 | -83.7 | 0 | 0 | 0 | 110.3 | K119 T120 C121 A122 V124 | N117-K119 PolarHBondContact O-N 3.25Å; N117-K119 PolarHBondContact OD1-N 2.86Å; N117-T120 WeakPolarHBondContact CB-OG1 3.49Å; N117-T120 PolarHBondContact O-N 3.19Å; N117-T120 PolarHBondContact OD1-N 3.24Å; N117-T120 VanDerWaalsContact OD1-N 3.09Å; N117-T120 PolarHBondContact OD1-OG1 3.32Å; N117-C121 PolarHBondContact O-N 3.47Å; N117-A122 PolarHBondContact N-O 2.93Å; N117-V124 HydrophobicContact CB-CG1 3.65Å; N117-V124 VanDerWaalsContact N-CG1 3.28Å |
| 118 | T | 95.3 | Very high | 92.9 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 7% | 0.074 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -26.1 | -178.2 | -59.5 | 0 | 0 | 0 | 0 | 114.3 | N27 T30 L32 K40 A42 Y116 | N27-T118 HydrophobicContact CB-CG2 3.97Å; N27-T118 PolarHBondContact ND2-O 2.96Å; T30-T118 PolarHBondContact OG1-O 3.17Å; L32-T118 HydrophobicContact CB-CG2 4.1Å; K40-T118 VanDerWaalsContact O-CB 3.28Å; K40-T118 WeakPolarHBondContact O-CB 3.11Å; K40-T118 PolarHBondContact O-OG1 3.08Å; A42-T118 WeakPolarHBondContact CB-OG1 3.45Å; A42-T118 PolarHBondContact N-OG1 3.13Å; Y116-T118 PolarHBondContact O-N 3.48Å |
| 119 | K | 94.7 | Very high | 92.5 | Very high | 162 Ų | 162 | 48.9 Ų | 48.9 | 70% | 0.704 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -33 | -178.9 | -64.4 | -176.8 | 179 | -177.7 | 0 | 114.4 | T30 N117 | T30-K119 WeakPolarHBondContact CG2-O 3.44Å; N117-K119 PolarHBondContact O-N 3.25Å; N117-K119 PolarHBondContact OD1-N 2.86Å |
| 120 | T | 95.1 | Very high | 92.2 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 46% | 0.46 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -6.6 | -169.4 | 66 | 0 | 0 | 0 | 0 | 114.4 | R94 N117 A122 | R94-T120 PolarHBondContact NH1-O 2.96Å; N117-T120 WeakPolarHBondContact CB-OG1 3.49Å; N117-T120 PolarHBondContact O-N 3.19Å; N117-T120 PolarHBondContact OD1-N 3.24Å; N117-T120 VanDerWaalsContact OD1-N 3.09Å; N117-T120 PolarHBondContact OD1-OG1 3.32Å; T120-A122 PolarHBondContact O-N 3.5Å; T120-A122 WeakPolarHBondContact OG1-CB 3.29Å |
| 121 | C | 95.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | trans | 54.5 | 28.7 | -174 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | C91 R94 N117 | C91-C121 WeakPolarHBondContact SG-CB 3.4Å; C91-C121 VanDerWaalsContact SG-SG 3.63Å; R94-C121 VanDerWaalsContact CD-O 3.28Å; R94-C121 WeakPolarHBondContact CD-O 3.42Å; R94-C121 PolarHBondContact NH1-O 2.65Å; N117-C121 PolarHBondContact O-N 3.47Å | ||
| 122 | A | 95.5 | Very high | 91.3 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | trans | -95.3 | 159.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y116 N117 T120 | Y116-A122 CarbonylContact C-O 3.59Å; Y116-A122 WeakPolarHBondContact CA-O 3.27Å; N117-A122 PolarHBondContact N-O 2.93Å; T120-A122 PolarHBondContact O-N 3.5Å; T120-A122 WeakPolarHBondContact OG1-CB 3.29Å | ||
| 123 | T | 94.1 | Very high | 91.2 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -63.1 | 150.5 | 165.5 | 54.1 | 0 | 0 | 0 | 0 | 110 | H113 | H113-T123 HydrophobicContact CB-CG2 3.88Å; H113-T123 VanDerWaalsContact CG-CG2 3.45Å |
| 124 | V | 93.8 | Very high | 91.2 | Very high | 46 Ų | 46 | 44.1 Ų | 44.1 | 28% | 0.279 | 24% | 0.243 | S | C | . | . | trans | -117.4 | -6 | -174.8 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | D41 K115 N117 | D41-V124 HydrophobicContact CB-CG2 4.39Å; K115-V124 HydrophobicContact CD-CG2 4.15Å; K115-V124 HydrophobicContact CG-CG2 3.78Å; N117-V124 HydrophobicContact CB-CG1 3.65Å; N117-V124 VanDerWaalsContact N-CG1 3.28Å | ||
| 125 | V | 89.6 | Confident | 91.4 | Very high | 34 Ų | 34 | 43.9 Ų | 43.9 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -138.1 | 160.5 | 177.9 | -70.3 | 0 | 0 | 0 | 0 | 108.7 | H113 Q129 W130 | H113-V125 PolarHBondContact CE1-O 3.11Å; V125-Q129 HydrophobicContact CB-CB 4.4Å; V125-W130 HydrophobicContact CB-CB 4.45Å; V125-W130 HydrophobicContact CG1-CB 4.47Å; V125-W130 HydrophobicContact CG2-CB 4.12Å; V125-W130 HydrophobicContact CG2-CE3 4.33Å |
| 126 | G | 87.6 | Confident | 91.5 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | trans | -79.7 | 162.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D128 Q129 | G126-D128 PolarHBondContact O-N 3.07Å; G126-Q129 WeakPolarHBondContact O-CB 3.32Å; G126-Q129 PolarHBondContact O-N 3.17Å; G126-Q129 VanDerWaalsContact O-N 3.11Å | ||
| 127 | D | 86.3 | Confident | 91.6 | Very high | 66 Ų | 66 | 43.2 Ų | 43.2 | 35% | 0.353 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -60.4 | -42.3 | -174.3 | -58.6 | -40.7 | 0 | 0 | 0 | 112.9 | K98 H113 Q129 H132 | K98-D127 WeakPolarHBondContact CE-OD1 3.07Å; K98-D127 IonicContact NZ-OD1 3.11Å; K98-D127 PolarHBondContact NZ-OD1 2.76Å; K98-D127 IonicContact NZ-OD2 3.32Å; H113-D127 IonicContact CD2-OD1 3.67Å; H113-D127 IonicContact CE1-OD1 2.78Å; H113-D127 IonicContact NE2-OD1 2.75Å; H113-D127 PolarHBondContact NE2-OD1 3.42Å; D127-Q129 VanDerWaalsContact C-N 3.27Å; D127-Q129 PolarHBondContact O-N 3.41Å; D127-H132 VanDerWaalsContact CA-CE1 3.49Å; D127-H132 WeakPolarHBondContact CA-CE1 3.48Å; D127-H132 PolarHBondContact O-CE1 2.94Å; D127-H132 PolarHBondContact O-ND1 3.09Å; D127-H132 VanDerWaalsContact O-ND1 3.15Å; D127-H132 IonicContact OD1-NE2 3.75Å |
| 128 | D | 83.1 | Confident | 91.6 | Very high | 121 Ų | 121 | 41.3 Ų | 41.3 | 65% | 0.647 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -82.5 | 4.9 | 179.9 | -68.8 | -42.7 | 0 | 0 | 0 | 113.6 | K109 G126 | K109-D128 WeakPolarHBondContact CE-OD1 3.34Å; K109-D128 VanDerWaalsContact NZ-CG 3.34Å; K109-D128 IonicContact NZ-OD1 3.84Å; K109-D128 PolarHBondContact NZ-OD1 2.93Å; K109-D128 IonicContact NZ-OD2 3.73Å; K109-D128 PolarHBondContact NZ-OD2 3.33Å; G126-D128 PolarHBondContact O-N 3.07Å |
| 129 | Q | 81.3 | Confident | 91.8 | Very high | 137 Ų | 137 | 40.7 Ų | 40.7 | 64% | 0.64 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -100.1 | -17.1 | -170.8 | -64.7 | -175.5 | -24.2 | 0 | 0 | 115.3 | V125 G126 D127 | V125-Q129 HydrophobicContact CB-CB 4.4Å; G126-Q129 WeakPolarHBondContact O-CB 3.32Å; G126-Q129 PolarHBondContact O-N 3.17Å; G126-Q129 VanDerWaalsContact O-N 3.11Å; D127-Q129 VanDerWaalsContact C-N 3.27Å; D127-Q129 PolarHBondContact O-N 3.41Å |
| 130 | W | 84.4 | Confident | 92 | Very high | 42 Ų | 42 | 33.1 Ų | 33.1 | 16% | 0.159 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -160.9 | 151.7 | -173.3 | -178.5 | 78.4 | 0 | 0 | 0 | 111.3 | W43 A114 K115 V125 H132 Q134 E185 | W43-W130 HydrophobicContact CZ2-CZ2 4.34Å; W43-W130 AromaticContact NE1-CH2 3.68Å; W43-W130 AromaticContact NE1-CZ2 3.42Å; A114-W130 HydrophobicContact CB-CH2 3.94Å; A114-W130 HydrophobicContact CB-CZ3 3.92Å; K115-W130 HydrophobicContact CB-CH2 4.23Å; K115-W130 HydrophobicContact CB-CZ3 4.49Å; K115-W130 HydrophobicContact CD-CD2 4.24Å; K115-W130 HydrophobicContact CD-CE3 4.17Å; K115-W130 HydrophobicContact CD-CH2 3.7Å; K115-W130 HydrophobicContact CD-CZ2 3.72Å; K115-W130 HydrophobicContact CD-CZ3 3.94Å; K115-W130 HydrophobicContact CG-CE3 4.26Å; K115-W130 HydrophobicContact CG-CH2 3.83Å; K115-W130 HydrophobicContact CG-CZ2 4.36Å; K115-W130 HydrophobicContact CG-CZ3 3.77Å; K115-W130 VanDerWaalsContact NZ-CE2 3.27Å; V125-W130 HydrophobicContact CB-CB 4.45Å; V125-W130 HydrophobicContact CG1-CB 4.47Å; V125-W130 HydrophobicContact CG2-CB 4.12Å; V125-W130 HydrophobicContact CG2-CE3 4.33Å; W130-H132 HydrophobicContact CE3-CB 3.66Å; W130-H132 HydrophobicContact CZ3-CB 3.79Å; W130-H132 PolarHBondContact O-N 3.3Å; W130-H132 PolarHBondContact O-ND1 3.27Å; W130-Q134 VanDerWaalsContact CH2-NE2 3.25Å; W130-E185 HydrophobicContact CZ2-CB 4.47Å; W130-E185 HydrophobicContact CZ2-CG 4.43Å; W130-E185 VanDerWaalsContact CZ2-OE1 3.23Å; W130-E185 WeakPolarHBondContact CZ2-OE1 3.33Å; W130-E185 VanDerWaalsContact CZ2-OE2 3.25Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.48Å |
| 131 | G | 80.6 | Confident | 92.2 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 9% | 0.093 | 17% | 0.17 | C | C | . | . | trans | -70.6 | 70.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q134 F181 | G131-Q134 PolarHBondContact O-NE2 3.38Å; G131-F181 VanDerWaalsContact C-CD2 3.49Å | ||
| 132 | H | 87.5 | Confident | 92.3 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | trans | -84.8 | -21.1 | -172.3 | 68.9 | -77.5 | 0 | 0 | 0 | 114.8 | K98 T108 S111 L112 H113 D127 W130 Q134 | K98-H132 PolarHBondContact NZ-NE2 3.03Å; T108-H132 PolarHBondContact O-CE1 3.32Å; T108-H132 PolarHBondContact O-NE2 2.94Å; S111-H132 PolarHBondContact O-CD2 2.58Å; S111-H132 VanDerWaalsContact O-CD2 3.28Å; S111-H132 PolarHBondContact O-NE2 2.86Å; S111-H132 PolarHBondContact OG-CD2 3.35Å; S111-H132 PolarHBondContact OG-NE2 3.07Å; S111-H132 VanDerWaalsContact OG-NE2 3.13Å; L112-H132 VanDerWaalsContact O-O 3.13Å; H113-H132 AromaticContact CD2-CD2 3.61Å; H113-H132 AromaticContact NE2-CD2 3.79Å; H113-H132 AromaticContact NE2-NE2 3.84Å; D127-H132 VanDerWaalsContact CA-CE1 3.49Å; D127-H132 WeakPolarHBondContact CA-CE1 3.48Å; D127-H132 PolarHBondContact O-CE1 2.94Å; D127-H132 PolarHBondContact O-ND1 3.09Å; D127-H132 VanDerWaalsContact O-ND1 3.15Å; D127-H132 IonicContact OD1-NE2 3.75Å; W130-H132 HydrophobicContact CE3-CB 3.66Å; W130-H132 HydrophobicContact CZ3-CB 3.79Å; W130-H132 PolarHBondContact O-N 3.3Å; W130-H132 PolarHBondContact O-ND1 3.27Å; H132-Q134 VanDerWaalsContact C-N 3.31Å; H132-Q134 PolarHBondContact O-N 2.75Å | ||
| 133 | L | 94.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | trans | -66 | 91.6 | 168.5 | 177.8 | 50.5 | 0 | 0 | 0 | 109.4 | F102 T108 S111 L135 T178 A179 D180 F181 | F102-L133 HydrophobicContact CE2-CD1 3.75Å; F102-L133 HydrophobicContact CE2-CD2 4.47Å; F102-L133 HydrophobicContact CZ-CD1 3.65Å; T108-L133 HydrophobicContact CG2-CB 4.25Å; T108-L133 HydrophobicContact CG2-CD2 3.84Å; S111-L133 WeakPolarHBondContact OG-CA 3.3Å; S111-L133 WeakPolarHBondContact OG-CB 3.34Å; S111-L133 PolarHBondContact OG-N 2.92Å; L133-L135 HydrophobicContact CD1-CD2 3.8Å; L133-L135 HydrophobicContact CD1-CG 4.06Å; L133-T178 HydrophobicContact CD2-CG2 4.2Å; L133-A179 WeakPolarHBondContact CD2-O 3.47Å; L133-D180 HydrophobicContact CD1-CB 4.47Å; L133-D180 HydrophobicContact CG-CB 3.93Å; L133-D180 WeakPolarHBondContact O-CB 3.3Å; L133-F181 HydrophobicContact CB-CD2 4.04Å; L133-F181 HydrophobicContact CB-CE2 4.28Å; L133-F181 WeakPolarHBondContact O-CD2 3.38Å; L133-F181 PolarHBondContact O-N 2.76Å | ||
| 134 | Q | 95.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | trans | -131 | 96.9 | 179.9 | -67.9 | -176.5 | 24.6 | 0 | 0 | 108 | A114 W130 G131 H132 D136 A137 E185 | A114-Q134 HydrophobicContact CB-CB 3.99Å; A114-Q134 HydrophobicContact CB-CG 4.13Å; W130-Q134 VanDerWaalsContact CH2-NE2 3.25Å; G131-Q134 PolarHBondContact O-NE2 3.38Å; H132-Q134 VanDerWaalsContact C-N 3.31Å; H132-Q134 PolarHBondContact O-N 2.75Å; Q134-D136 VanDerWaalsContact C-N 3.34Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.35Å; Q134-A137 HydrophobicContact CB-CB 3.97Å; Q134-A137 PolarHBondContact O-N 2.79Å; Q134-E185 PolarHBondContact NE2-OE1 3.19Å; Q134-E185 PolarHBondContact OE1-OE1 2.9Å | ||
| 135 | L | 96.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -75.8 | -27.8 | -176.1 | -62.2 | -179.7 | 0 | 0 | 0 | 111.3 | F102 L133 A137 S139 Y171 A175 T178 D180 | F102-L135 HydrophobicContact CE1-CD2 4.35Å; F102-L135 HydrophobicContact CZ-CD2 4.2Å; L133-L135 HydrophobicContact CD1-CD2 3.8Å; L133-L135 HydrophobicContact CD1-CG 4.06Å; L135-A137 VanDerWaalsContact C-N 3.29Å; L135-A137 PolarHBondContact O-N 3.22Å; L135-S139 VanDerWaalsContact O-CB 3.22Å; L135-S139 WeakPolarHBondContact O-CB 3.33Å; L135-S139 PolarHBondContact O-N 3.31Å; L135-S139 PolarHBondContact O-OG 3Å; L135-Y171 HydrophobicContact CD2-CD1 4.19Å; L135-Y171 HydrophobicContact CD2-CE1 3.58Å; L135-A175 HydrophobicContact CD1-CB 3.94Å; L135-T178 HydrophobicContact CD1-CG2 4.1Å; L135-D180 HydrophobicContact CG-CB 4.25Å; L135-D180 PolarHBondContact N-OD2 3.36Å |
| 136 | D | 97.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.027 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.8 | -42.4 | 169.9 | 69.8 | -61.2 | 0 | 0 | 0 | 112.1 | R45 Q134 S139 V140 I183 | R45-D136 WeakPolarHBondContact CD-OD2 3.19Å; R45-D136 IonicContact CZ-OD2 3.78Å; R45-D136 IonicContact NE-OD2 2.75Å; R45-D136 IonicContact NH1-OD1 3.96Å; R45-D136 IonicContact NH1-OD2 3.75Å; R45-D136 PolarHBondContact NH1-OD2 3.48Å; Q134-D136 VanDerWaalsContact C-N 3.34Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.35Å; D136-S139 PolarHBondContact O-N 3.38Å; D136-V140 WeakPolarHBondContact O-CB 3.21Å; D136-V140 WeakPolarHBondContact O-CG1 3.22Å; D136-V140 PolarHBondContact O-N 3.28Å; D136-I183 WeakPolarHBondContact OD2-CA 3.48Å |
| 137 | A | 97.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.9 | -41.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V44 R45 A114 Q134 L135 V140 Y141 | V44-A137 HydrophobicContact CB-CB 4.31Å; V44-A137 WeakPolarHBondContact CG1-O 3.42Å; R45-A137 HydrophobicContact CB-CB 4.43Å; A114-A137 HydrophobicContact CB-CB 4.3Å; Q134-A137 HydrophobicContact CB-CB 3.97Å; Q134-A137 PolarHBondContact O-N 2.79Å; L135-A137 VanDerWaalsContact C-N 3.29Å; L135-A137 PolarHBondContact O-N 3.22Å; A137-V140 WeakPolarHBondContact O-CG1 3.47Å; A137-Y141 PolarHBondContact O-N 2.91Å |
| 138 | T | 98.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 16.3 Ų | 16.3 | 5% | 0.049 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.8 | -40.8 | 173.8 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | L112 Y141 L142 Y171 I172 | L112-T138 HydrophobicContact CD1-CG2 4.48Å; T138-Y141 WeakPolarHBondContact O-CB 3.48Å; T138-Y141 PolarHBondContact O-N 2.94Å; T138-L142 HydrophobicContact CG2-CD1 4.42Å; T138-L142 WeakPolarHBondContact O-CG 3.38Å; T138-L142 PolarHBondContact O-N 2.99Å; T138-L142 VanDerWaalsContact O-N 3.11Å; T138-Y171 HydrophobicContact CG2-CD1 4.29Å; T138-I172 HydrophobicContact CG2-CG2 3.93Å |
| 139 | S | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | -178.4 | -56.8 | 0 | 0 | 0 | 0 | 112.9 | L135 D136 Y141 L142 L143 A205 A208 | L135-S139 VanDerWaalsContact O-CB 3.22Å; L135-S139 WeakPolarHBondContact O-CB 3.33Å; L135-S139 PolarHBondContact O-N 3.31Å; L135-S139 PolarHBondContact O-OG 3Å; D136-S139 PolarHBondContact O-N 3.38Å; S139-Y141 VanDerWaalsContact C-N 3.3Å; S139-Y141 PolarHBondContact O-N 2.91Å; S139-L142 PolarHBondContact O-N 2.97Å; S139-L142 VanDerWaalsContact O-N 3.15Å; S139-L143 WeakPolarHBondContact O-CB 3.42Å; S139-L143 PolarHBondContact O-N 3.46Å; S139-A205 VanDerWaalsContact OG-CA 3.29Å; S139-A205 WeakPolarHBondContact OG-CA 3.44Å; S139-A205 WeakPolarHBondContact OG-CB 3.31Å; S139-A208 VanDerWaalsContact O-CB 3.31Å; S139-A208 WeakPolarHBondContact O-CB 3.4Å |
| 140 | V | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 6.3 Ų | 6.3 | 1% | 0.012 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.3 | -34.2 | 178.3 | 73.4 | 0 | 0 | 0 | 0 | 111.6 | V48 Y49 D136 A137 F144 M204 | V48-V140 HydrophobicContact CB-CG1 4.43Å; V48-V140 HydrophobicContact CG1-CG1 4.44Å; V48-V140 HydrophobicContact CG1-CG2 4.09Å; Y49-V140 HydrophobicContact CE2-CG2 4.03Å; D136-V140 WeakPolarHBondContact O-CB 3.21Å; D136-V140 WeakPolarHBondContact O-CG1 3.22Å; D136-V140 PolarHBondContact O-N 3.28Å; A137-V140 WeakPolarHBondContact O-CG1 3.47Å; V140-F144 HydrophobicContact CG2-CD2 3.85Å; V140-F144 HydrophobicContact CG2-CE2 3.98Å; V140-F144 WeakPolarHBondContact O-CD2 3.4Å; V140-F144 PolarHBondContact O-N 3.02Å; V140-F144 VanDerWaalsContact O-N 3.07Å; V140-M204 HydrophobicContact CB-CG 3.86Å; V140-M204 HydrophobicContact CB-SD 3.89Å; V140-M204 HydrophobicContact CG2-CE 4.41Å; V140-M204 HydrophobicContact CG2-SD 3.95Å |
| 141 | Y | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 170.5 | 167.5 | -94 | 0 | 0 | 0 | 111.5 | V48 M85 L88 M92 A137 T138 S139 F144 L145 I165 | V48-Y141 HydrophobicContact CG2-CD2 4.27Å; M85-Y141 HydrophobicContact CB-CE2 4.47Å; M85-Y141 HydrophobicContact CE-CD2 3.56Å; M85-Y141 HydrophobicContact CE-CE2 3.6Å; M85-Y141 HydrophobicContact CE-CG 4.46Å; M85-Y141 HydrophobicContact SD-CD2 4.18Å; M85-Y141 HydrophobicContact SD-CE2 4.24Å; L88-Y141 HydrophobicContact CB-CD2 4.02Å; L88-Y141 HydrophobicContact CB-CE2 3.95Å; L88-Y141 HydrophobicContact CD1-CD2 3.94Å; L88-Y141 HydrophobicContact CD1-CE2 4.47Å; M92-Y141 HydrophobicContact CE-CD1 3.9Å; M92-Y141 HydrophobicContact CE-CD2 4.38Å; M92-Y141 HydrophobicContact CE-CG 3.83Å; M92-Y141 HydrophobicContact SD-CD1 3.94Å; M92-Y141 HydrophobicContact SD-CE1 4.11Å; M92-Y141 HydrophobicContact SD-CG 4.45Å; A137-Y141 PolarHBondContact O-N 2.91Å; T138-Y141 WeakPolarHBondContact O-CB 3.48Å; T138-Y141 PolarHBondContact O-N 2.94Å; S139-Y141 VanDerWaalsContact C-N 3.3Å; S139-Y141 PolarHBondContact O-N 2.91Å; Y141-F144 PolarHBondContact O-N 3.4Å; Y141-L145 HydrophobicContact CE1-CD2 4.24Å; Y141-L145 VanDerWaalsContact O-CB 3.27Å; Y141-L145 WeakPolarHBondContact O-CB 3.23Å; Y141-L145 PolarHBondContact O-N 3.09Å; Y141-I165 HydrophobicContact CE1-CD1 4.24Å |
| 142 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | 178.9 | -72.2 | 179.3 | 0 | 0 | 0 | 113 | T138 S139 F144 L145 A146 I165 L168 I172 A208 L212 | T138-L142 HydrophobicContact CG2-CD1 4.42Å; T138-L142 WeakPolarHBondContact O-CG 3.38Å; T138-L142 PolarHBondContact O-N 2.99Å; T138-L142 VanDerWaalsContact O-N 3.11Å; S139-L142 PolarHBondContact O-N 2.97Å; S139-L142 VanDerWaalsContact O-N 3.15Å; L142-F144 PolarHBondContact O-N 3.03Å; L142-L145 HydrophobicContact CD2-CD2 4.3Å; L142-L145 WeakPolarHBondContact O-CB 3.39Å; L142-L145 PolarHBondContact O-N 3Å; L142-A146 PolarHBondContact O-N 2.97Å; L142-I165 HydrophobicContact CD2-CD1 4.14Å; L142-I165 HydrophobicContact CD2-CG2 4.01Å; L142-L168 HydrophobicContact CD1-CB 4.02Å; L142-L168 HydrophobicContact CD2-CB 4.22Å; L142-L168 HydrophobicContact CD2-CD1 4.13Å; L142-I172 HydrophobicContact CD1-CD1 3.74Å; L142-I172 HydrophobicContact CD1-CG1 4.1Å; L142-I172 HydrophobicContact CD1-CG2 4.32Å; L142-A208 HydrophobicContact CB-CB 3.93Å; L142-L212 HydrophobicContact CB-CD1 3.97Å; L142-L212 HydrophobicContact CD1-CD1 4.21Å; L142-L212 HydrophobicContact CD2-CD1 4.14Å; L142-L212 HydrophobicContact CG-CD1 4.33Å |
| 143 | L | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 174.8 | 173.9 | 60.6 | 0 | 0 | 0 | 111.5 | S139 A146 Q147 M204 A207 A208 A211 P266 | S139-L143 WeakPolarHBondContact O-CB 3.42Å; S139-L143 PolarHBondContact O-N 3.46Å; L143-A146 WeakPolarHBondContact O-CB 3.32Å; L143-A146 PolarHBondContact O-N 3.08Å; L143-Q147 HydrophobicContact CD1-CG 4.32Å; L143-Q147 WeakPolarHBondContact O-CG 3.37Å; L143-Q147 PolarHBondContact O-N 3.15Å; L143-M204 HydrophobicContact CD2-SD 3.61Å; L143-A207 HydrophobicContact CD1-CB 4.37Å; L143-A207 HydrophobicContact CD2-CB 4.19Å; L143-A208 HydrophobicContact CB-CB 4.18Å; L143-A211 HydrophobicContact CD1-CB 3.7Å; L143-P266 HydrophobicContact CD2-CB 4.1Å; L143-P266 HydrophobicContact CD2-CG 4.18Å |
| 144 | F | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.009 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -78.3 | -27.2 | 178.5 | -81.6 | -70 | 0 | 0 | 0 | 113.6 | V48 L52 W55 M85 V140 Y141 L142 A146 Q147 M148 F265 P266 | V48-F144 HydrophobicContact CG1-CB 3.84Å; V48-F144 HydrophobicContact CG1-CD2 3.49Å; V48-F144 VanDerWaalsContact CG1-CD2 3.49Å; V48-F144 HydrophobicContact CG1-CE2 4.37Å; V48-F144 HydrophobicContact CG1-CG 3.95Å; L52-F144 HydrophobicContact CD1-CE1 3.95Å; L52-F144 HydrophobicContact CD1-CE2 3.88Å; L52-F144 HydrophobicContact CD1-CZ 3.42Å; L52-F144 VanDerWaalsContact CD1-CZ 3.42Å; L52-F144 HydrophobicContact CD2-CD1 3.49Å; L52-F144 VanDerWaalsContact CD2-CD1 3.49Å; L52-F144 HydrophobicContact CD2-CD2 4.19Å; L52-F144 HydrophobicContact CD2-CE1 3.39Å; L52-F144 HydrophobicContact CD2-CE2 4.08Å; L52-F144 HydrophobicContact CD2-CG 3.9Å; L52-F144 HydrophobicContact CD2-CZ 3.68Å; L52-F144 HydrophobicContact CG-CE1 4.32Å; L52-F144 HydrophobicContact CG-CZ 4.2Å; W55-F144 HydrophobicContact CZ3-CD1 4.15Å; W55-F144 AromaticContact CZ3-CE1 3.95Å; W55-F144 HydrophobicContact CZ3-CE1 3.95Å; M85-F144 HydrophobicContact CE-CB 4.36Å; V140-F144 HydrophobicContact CG2-CD2 3.85Å; V140-F144 HydrophobicContact CG2-CE2 3.98Å; V140-F144 WeakPolarHBondContact O-CD2 3.4Å; V140-F144 PolarHBondContact O-N 3.02Å; V140-F144 VanDerWaalsContact O-N 3.07Å; Y141-F144 PolarHBondContact O-N 3.4Å; L142-F144 PolarHBondContact O-N 3.03Å; F144-A146 VanDerWaalsContact C-N 3.25Å; F144-A146 PolarHBondContact O-N 3.35Å; F144-Q147 HydrophobicContact CD1-CB 4.42Å; F144-M148 HydrophobicContact CB-CE 4.21Å; F144-M148 HydrophobicContact CD1-CE 4.36Å; F144-M148 WeakPolarHBondContact O-CB 3.42Å; F144-M148 WeakPolarHBondContact O-CG 3.29Å; F144-M148 PolarHBondContact O-N 2.85Å; F144-F265 HydrophobicContact CE1-CZ 4.28Å; F144-F265 HydrophobicContact CZ-CE1 4.5Å; F144-F265 HydrophobicContact CZ-CE2 4.47Å; F144-F265 AromaticContact CZ-CZ 3.87Å; F144-F265 HydrophobicContact CZ-CZ 3.87Å; F144-P266 HydrophobicContact CE2-CB 3.75Å; F144-P266 HydrophobicContact CE2-CG 3.91Å; F144-P266 HydrophobicContact CZ-CB 3.51Å; F144-P266 HydrophobicContact CZ-CG 4.15Å |
| 145 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.3 | -44.5 | 165.9 | 175.5 | 65.2 | 0 | 0 | 0 | 110.5 | M85 Y141 L142 T149 I155 I156 I165 L217 | M85-L145 HydrophobicContact CE-CB 4.38Å; Y141-L145 HydrophobicContact CE1-CD2 4.24Å; Y141-L145 VanDerWaalsContact O-CB 3.27Å; Y141-L145 WeakPolarHBondContact O-CB 3.23Å; Y141-L145 PolarHBondContact O-N 3.09Å; L142-L145 HydrophobicContact CD2-CD2 4.3Å; L142-L145 WeakPolarHBondContact O-CB 3.39Å; L142-L145 PolarHBondContact O-N 3Å; L145-T149 VanDerWaalsContact O-CB 3.27Å; L145-T149 WeakPolarHBondContact O-CB 3.36Å; L145-T149 PolarHBondContact O-N 3.01Å; L145-T149 PolarHBondContact O-OG1 2.77Å; L145-I155 HydrophobicContact CD1-CB 3.81Å; L145-I155 HydrophobicContact CD1-CD1 4.06Å; L145-I155 HydrophobicContact CD1-CG2 3.59Å; L145-I156 HydrophobicContact CD1-CD1 3.95Å; L145-I156 HydrophobicContact CD1-CG1 4.01Å; L145-I156 HydrophobicContact CD2-CD1 4.14Å; L145-I156 HydrophobicContact CD2-CG1 4.42Å; L145-I165 HydrophobicContact CD2-CD1 3.63Å; L145-I165 HydrophobicContact CD2-CG1 3.99Å; L145-I165 HydrophobicContact CD2-CG2 4.21Å; L145-L217 HydrophobicContact CD2-CD2 4.26Å; L145-L217 HydrophobicContact CG-CD2 4.41Å |
| 146 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.9 | -55.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L142 L143 F144 M148 T149 A150 A211 L212 L215 L426 | L142-A146 PolarHBondContact O-N 2.97Å; L143-A146 WeakPolarHBondContact O-CB 3.32Å; L143-A146 PolarHBondContact O-N 3.08Å; F144-A146 VanDerWaalsContact C-N 3.25Å; F144-A146 PolarHBondContact O-N 3.35Å; A146-M148 VanDerWaalsContact C-N 3.33Å; A146-M148 PolarHBondContact O-N 3.18Å; A146-T149 PolarHBondContact O-N 2.86Å; A146-A150 WeakPolarHBondContact O-CB 3.45Å; A146-A150 PolarHBondContact O-N 3.41Å; A146-A211 HydrophobicContact CB-CB 3.75Å; A146-A211 WeakPolarHBondContact CB-O 3.49Å; A146-L212 HydrophobicContact CB-CD2 4.04Å; A146-L212 HydrophobicContact CB-CG 4.39Å; A146-L215 HydrophobicContact CB-CD2 3.67Å; A146-L426 HydrophobicContact CB-CD1 3.8Å |
| 147 | Q | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 2% | 0.023 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.9 | -38.9 | -179.9 | -64.2 | -78.6 | 24 | 0 | 0 | 112.3 | W55 L143 F144 S151 D424 P425 L426 | W55-Q147 HydrophobicContact CH2-CB 4.16Å; L143-Q147 HydrophobicContact CD1-CG 4.32Å; L143-Q147 WeakPolarHBondContact O-CG 3.37Å; L143-Q147 PolarHBondContact O-N 3.15Å; F144-Q147 HydrophobicContact CD1-CB 4.42Å; Q147-S151 PolarHBondContact O-N 3.11Å; Q147-D424 PolarHBondContact NE2-OD1 3.42Å; Q147-P425 WeakPolarHBondContact O-CG 3.27Å; Q147-L426 HydrophobicContact CG-CD1 4.3Å |
| 148 | M | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.8 | -41.4 | 177.6 | -72 | 175.2 | -175.2 | 0 | 0 | 112.2 | I51 L52 W55 V81 M85 F144 A146 S151 G152 L153 I155 | I51-M148 HydrophobicContact CG2-CE 4.01Å; L52-M148 HydrophobicContact CD2-CE 3.92Å; W55-M148 HydrophobicContact CB-CE 4.27Å; W55-M148 HydrophobicContact CD2-CE 4.15Å; W55-M148 HydrophobicContact CD2-CG 4.09Å; W55-M148 HydrophobicContact CE3-CE 4.26Å; W55-M148 HydrophobicContact CG-CE 4.18Å; W55-M148 HydrophobicContact CG-CG 4.37Å; W55-M148 HydrophobicContact CZ2-CG 4.18Å; V81-M148 HydrophobicContact CG1-CE 3.74Å; V81-M148 HydrophobicContact CG1-SD 3.5Å; V81-M148 VanDerWaalsContact CG1-SD 3.5Å; M85-M148 HydrophobicContact CE-SD 4.24Å; M85-M148 HydrophobicContact CG-SD 3.88Å; M85-M148 HydrophobicContact SD-SD 4.29Å; F144-M148 HydrophobicContact CB-CE 4.21Å; F144-M148 HydrophobicContact CD1-CE 4.36Å; F144-M148 WeakPolarHBondContact O-CB 3.42Å; F144-M148 WeakPolarHBondContact O-CG 3.29Å; F144-M148 PolarHBondContact O-N 2.85Å; A146-M148 VanDerWaalsContact C-N 3.33Å; A146-M148 PolarHBondContact O-N 3.18Å; M148-S151 CarbonylContact O-C 3.58Å; M148-S151 PolarHBondContact O-N 2.71Å; M148-S151 PolarHBondContact O-OG 2.94Å; M148-G152 PolarHBondContact O-N 3.45Å; M148-L153 HydrophobicContact CB-CB 4.35Å; M148-L153 HydrophobicContact CB-CD1 4.13Å; M148-L153 HydrophobicContact CG-CD1 4.31Å; M148-L153 WeakPolarHBondContact O-CB 3.28Å; M148-L153 PolarHBondContact O-N 3.38Å; M148-I155 HydrophobicContact CB-CD1 3.7Å; M148-I155 HydrophobicContact SD-CD1 4.15Å |
| 149 | T | 97.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 173.8 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | L145 A146 S151 G152 L153 | L145-T149 VanDerWaalsContact O-CB 3.27Å; L145-T149 WeakPolarHBondContact O-CB 3.36Å; L145-T149 PolarHBondContact O-N 3.01Å; L145-T149 PolarHBondContact O-OG1 2.77Å; A146-T149 PolarHBondContact O-N 2.86Å; T149-S151 VanDerWaalsContact C-N 3.28Å; T149-S151 PolarHBondContact O-N 3.34Å; T149-G152 WeakPolarHBondContact O-CA 3.07Å; T149-G152 PolarHBondContact O-N 2.93Å; T149-L153 WeakPolarHBondContact CA-O 3.47Å |
| 150 | A | 96.5 | Very high | 97 | Very high | 43 Ų | 43 | 22.7 Ų | 22.7 | 36% | 0.355 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -62 | -31.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | A146 G152 P425 L426 | A146-A150 WeakPolarHBondContact O-CB 3.45Å; A146-A150 PolarHBondContact O-N 3.41Å; A150-G152 PolarHBondContact O-N 3.37Å; A150-P425 HydrophobicContact CB-CB 4.17Å; A150-P425 HydrophobicContact CB-CG 3.97Å; A150-L426 HydrophobicContact CB-CD2 3.73Å; A150-L426 HydrophobicContact CB-CG 3.93Å |
| 151 | S | 95.2 | Very high | 97 | Very high | 19 Ų | 19 | 23.8 Ų | 23.8 | 13% | 0.133 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 0 | 170.9 | 82.4 | 0 | 0 | 0 | 0 | 114.5 | W55 R62 Q147 M148 T149 | W55-S151 PolarHBondContact NE1-OG 3.13Å; R62-S151 PolarHBondContact NH1-O 2.99Å; Q147-S151 PolarHBondContact O-N 3.11Å; M148-S151 CarbonylContact O-C 3.58Å; M148-S151 PolarHBondContact O-N 2.71Å; M148-S151 PolarHBondContact O-OG 2.94Å; T149-S151 VanDerWaalsContact C-N 3.28Å; T149-S151 PolarHBondContact O-N 3.34Å |
| 152 | G | 94.5 | Very high | 96.9 | Very high | 57 Ų | 57 | 24 Ų | 24 | 59% | 0.588 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | 15.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | M148 T149 A150 | M148-G152 PolarHBondContact O-N 3.45Å; T149-G152 WeakPolarHBondContact O-CA 3.07Å; T149-G152 PolarHBondContact O-N 2.93Å; A150-G152 PolarHBondContact O-N 3.37Å |
| 153 | L | 95.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | trans | -81 | 128.7 | 170.9 | -62.2 | -168 | 0 | 0 | 0 | 110.9 | E78 V81 V82 M148 T149 I155 | E78-L153 HydrophobicContact CB-CD2 3.86Å; E78-L153 HydrophobicContact CG-CD2 3.93Å; V81-L153 HydrophobicContact CB-CD1 4.1Å; V81-L153 HydrophobicContact CG1-CD1 3.87Å; V82-L153 HydrophobicContact CG2-CB 4.19Å; V82-L153 HydrophobicContact CG2-CD1 4.34Å; M148-L153 HydrophobicContact CB-CB 4.35Å; M148-L153 HydrophobicContact CB-CD1 4.13Å; M148-L153 HydrophobicContact CG-CD1 4.31Å; M148-L153 WeakPolarHBondContact O-CB 3.28Å; M148-L153 PolarHBondContact O-N 3.38Å; T149-L153 WeakPolarHBondContact CA-O 3.47Å; L153-I155 HydrophobicContact CB-CD1 4.33Å; L153-I155 HydrophobicContact CB-CG1 4.22Å; L153-I155 PolarHBondContact O-N 2.8Å | ||
| 154 | H | 94.7 | Very high | 96.8 | Very high | 92 Ų | 92 | 26 Ų | 26 | 43% | 0.426 | 16% | 0.155 | S | C | . | . | trans | -90.2 | 95.8 | 177.5 | -173.9 | -85.8 | 0 | 0 | 0 | 109.9 | I156 H157 | H154-I156 PolarHBondContact CE1-O 2.94Å; H154-H157 AromaticContact CE1-CD2 3.32Å; H154-H157 PolarHBondContact CE1-CD2 3.21Å; H154-H157 AromaticContact CE1-NE2 3.84Å; H154-H157 AromaticContact ND1-CD2 3.22Å; H154-H157 PolarHBondContact ND1-CD2 2.93Å; H154-H157 AromaticContact ND1-NE2 3.33Å; H154-H157 PolarHBondContact ND1-NE2 2.71Å | ||
| 155 | I | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -101.9 | -39.2 | -175 | -61.2 | 171.1 | 0 | 0 | 0 | 112.1 | V82 M85 R86 L145 M148 L153 H157 | V82-I155 HydrophobicContact CG2-CG1 4.21Å; M85-I155 HydrophobicContact CB-CD1 4.17Å; M85-I155 HydrophobicContact CB-CG2 3.91Å; M85-I155 HydrophobicContact CG-CD1 4.25Å; R86-I155 WeakPolarHBondContact CD-O 3.38Å; R86-I155 HydrophobicContact CG-CG2 4.07Å; R86-I155 WeakPolarHBondContact CG-O 3.46Å; R86-I155 PolarHBondContact NH1-O 3.13Å; L145-I155 HydrophobicContact CD1-CB 3.81Å; L145-I155 HydrophobicContact CD1-CD1 4.06Å; L145-I155 HydrophobicContact CD1-CG2 3.59Å; M148-I155 HydrophobicContact CB-CD1 3.7Å; M148-I155 HydrophobicContact SD-CD1 4.15Å; L153-I155 HydrophobicContact CB-CD1 4.33Å; L153-I155 HydrophobicContact CB-CG1 4.22Å; L153-I155 PolarHBondContact O-N 2.8Å; I155-H157 PolarHBondContact O-CD2 2.93Å | ||
| 156 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -96 | 134.4 | -178.7 | -54.8 | -56.9 | 0 | 0 | 0 | 109.7 | L89 L145 H154 E161 V162 I165 L217 F218 | L89-I156 HydrophobicContact CD2-CD1 3.67Å; L145-I156 HydrophobicContact CD1-CD1 3.95Å; L145-I156 HydrophobicContact CD1-CG1 4.01Å; L145-I156 HydrophobicContact CD2-CD1 4.14Å; L145-I156 HydrophobicContact CD2-CG1 4.42Å; H154-I156 PolarHBondContact CE1-O 2.94Å; I156-E161 HydrophobicContact CG2-CB 3.71Å; I156-V162 HydrophobicContact CG2-CG2 3.91Å; I156-I165 HydrophobicContact CD1-CD1 4.31Å; I156-I165 HydrophobicContact CD1-CG1 4.02Å; I156-L217 HydrophobicContact CB-CB 4.11Å; I156-L217 HydrophobicContact CG1-CB 4.1Å; I156-L217 HydrophobicContact CG1-CD1 4.28Å; I156-L217 HydrophobicContact CG1-CD2 4.32Å; I156-L217 HydrophobicContact CG1-CG 4.48Å; I156-L217 HydrophobicContact CG2-CB 4.28Å; I156-F218 HydrophobicContact CG2-CE1 4.06Å; I156-F218 WeakPolarHBondContact O-CD1 3.39Å | ||
| 157 | H | 94.9 | Very high | 96.8 | Very high | 95 Ų | 95 | 26 Ų | 26 | 44% | 0.44 | 16% | 0.155 | S | C | . | . | trans | -121.5 | -10.1 | -165.7 | -70 | -170.3 | 0 | 0 | 0 | 114.7 | R86 H154 I155 E161 | R86-H157 VanDerWaalsContact NH1-CG 3.31Å; H154-H157 AromaticContact CE1-CD2 3.32Å; H154-H157 PolarHBondContact CE1-CD2 3.21Å; H154-H157 AromaticContact CE1-NE2 3.84Å; H154-H157 AromaticContact ND1-CD2 3.22Å; H154-H157 PolarHBondContact ND1-CD2 2.93Å; H154-H157 AromaticContact ND1-NE2 3.33Å; H154-H157 PolarHBondContact ND1-NE2 2.71Å; I155-H157 PolarHBondContact O-CD2 2.93Å; H157-E161 PolarHBondContact N-OE2 2.86Å | ||
| 158 | S | 95.6 | Very high | 96.8 | Very high | 39 Ų | 39 | 25.7 Ų | 25.7 | 27% | 0.273 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -150 | 158.4 | 179.5 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | D160 E161 V162 | S158-D160 PolarHBondContact O-N 2.97Å; S158-D160 PolarHBondContact OG-N 3.13Å; S158-E161 WeakPolarHBondContact O-CB 3.44Å; S158-E161 PolarHBondContact O-N 2.96Å; S158-E161 VanDerWaalsContact O-N 3.08Å; S158-E161 PolarHBondContact OG-N 3.46Å; S158-E161 VanDerWaalsContact OG-N 3.14Å; S158-V162 PolarHBondContact O-N 2.92Å |
| 159 | L | 94 | Very high | 96.8 | Very high | 70 Ų | 70 | 25.7 Ų | 25.7 | 37% | 0.366 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64.4 | -25 | 173.7 | -64 | 177.5 | 0 | 0 | 0 | 112.4 | V162 N163 F218 Q225 | L159-V162 HydrophobicContact CD2-CG2 4.44Å; L159-V162 PolarHBondContact O-N 3.33Å; L159-N163 WeakPolarHBondContact O-CB 3.47Å; L159-N163 PolarHBondContact O-N 3.43Å; L159-N163 PolarHBondContact O-ND2 3.05Å; L159-F218 HydrophobicContact CD2-CE2 3.95Å; L159-F218 HydrophobicContact CD2-CZ 4.23Å; L159-Q225 HydrophobicContact CD1-CB 4.45Å; L159-Q225 HydrophobicContact CD2-CB 3.98Å; L159-Q225 WeakPolarHBondContact CD2-O 3.31Å |
| 160 | D | 96.5 | Very high | 96.7 | Very high | 39 Ų | 39 | 25.7 Ų | 25.7 | 21% | 0.209 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 170.9 | -69.5 | -48 | 0 | 0 | 0 | 111 | S158 F164 N489 R491 M492 | S158-D160 PolarHBondContact O-N 2.97Å; S158-D160 PolarHBondContact OG-N 3.13Å; D160-F164 PolarHBondContact O-N 3.25Å; D160-F164 VanDerWaalsContact O-N 3.11Å; D160-N489 PolarHBondContact OD1-ND2 3.4Å; D160-R491 IonicContact OD1-NH1 2.84Å; D160-R491 IonicContact OD2-CZ 2.62Å; D160-R491 IonicContact OD2-NH1 2.87Å; D160-R491 PolarHBondContact OD2-NH1 3.42Å; D160-M492 HydrophobicContact CB-CE 3.94Å |
| 161 | E | 97.8 | Very high | 96.7 | Very high | 24 Ų | 24 | 23.7 Ų | 23.7 | 11% | 0.112 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.6 | -37 | 172.1 | -68.1 | 178.2 | 174.8 | 0 | 0 | 112 | R86 L89 I93 I156 H157 S158 F164 I165 | R86-E161 IonicContact CZ-OE1 2.76Å; R86-E161 IonicContact CZ-OE2 2.71Å; R86-E161 IonicContact NH1-OE1 2.8Å; R86-E161 PolarHBondContact NH1-OE1 2.93Å; R86-E161 IonicContact NH1-OE2 3.21Å; R86-E161 PolarHBondContact NH1-OE2 2.96Å; R86-E161 IonicContact NH2-OE1 3.86Å; R86-E161 PolarHBondContact NH2-OE1 2.87Å; R86-E161 IonicContact NH2-OE2 2.8Å; L89-E161 HydrophobicContact CD2-CG 4.27Å; I93-E161 HydrophobicContact CD1-CG 4.12Å; I156-E161 HydrophobicContact CG2-CB 3.71Å; H157-E161 PolarHBondContact N-OE2 2.86Å; S158-E161 WeakPolarHBondContact O-CB 3.44Å; S158-E161 PolarHBondContact O-N 2.96Å; S158-E161 VanDerWaalsContact O-N 3.08Å; S158-E161 PolarHBondContact OG-N 3.46Å; S158-E161 VanDerWaalsContact OG-N 3.14Å; E161-F164 WeakPolarHBondContact O-CB 3.36Å; E161-F164 PolarHBondContact O-N 3.04Å; E161-I165 WeakPolarHBondContact O-CG1 3.39Å; E161-I165 PolarHBondContact O-N 3.45Å |
| 162 | V | 97.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.024 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.9 | -51.9 | 173.1 | 172.4 | 0 | 0 | 0 | 0 | 111 | I156 S158 L159 F164 I165 Q166 L217 F218 I228 | I156-V162 HydrophobicContact CG2-CG2 3.91Å; S158-V162 PolarHBondContact O-N 2.92Å; L159-V162 HydrophobicContact CD2-CG2 4.44Å; L159-V162 PolarHBondContact O-N 3.33Å; V162-F164 PolarHBondContact O-N 2.9Å; V162-I165 PolarHBondContact O-N 3.42Å; V162-Q166 PolarHBondContact O-N 2.96Å; V162-L217 HydrophobicContact CB-CD1 4.4Å; V162-L217 HydrophobicContact CG1-CD1 4.29Å; V162-L217 HydrophobicContact CG2-CB 4.27Å; V162-L217 HydrophobicContact CG2-CD1 4.19Å; V162-F218 HydrophobicContact CG2-CE1 4.18Å; V162-F218 HydrophobicContact CG2-CZ 4.05Å; V162-I228 HydrophobicContact CG1-CD1 4.09Å |
| 163 | N | 97 | Very high | 96.7 | Very high | 43 Ų | 43 | 20.2 Ų | 20.2 | 23% | 0.23 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.9 | -33.7 | 178.8 | -79.2 | -37.5 | 0 | 0 | 0 | 112.1 | L159 Q166 N167 N489 | L159-N163 WeakPolarHBondContact O-CB 3.47Å; L159-N163 PolarHBondContact O-N 3.43Å; L159-N163 PolarHBondContact O-ND2 3.05Å; N163-Q166 PolarHBondContact O-N 2.85Å; N163-N167 PolarHBondContact O-N 2.79Å; N163-N167 PolarHBondContact O-ND2 2.73Å; N163-N489 HydrophobicContact CB-CB 4.02Å |
| 164 | F | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 171.6 | -176.4 | -100 | 0 | 0 | 0 | 112.1 | L89 M92 I93 V96 V99 D160 E161 V162 Q166 N167 L168 M492 L494 | L89-F164 HydrophobicContact CD1-CD1 3.86Å; L89-F164 HydrophobicContact CD1-CE1 4.08Å; M92-F164 VanDerWaalsContact C-CZ 3.43Å; M92-F164 HydrophobicContact CB-CE1 3.78Å; M92-F164 HydrophobicContact CB-CZ 3.8Å; M92-F164 WeakPolarHBondContact O-CZ 3.45Å; I93-F164 HydrophobicContact CB-CZ 4.47Å; I93-F164 HydrophobicContact CD1-CD1 4.21Å; I93-F164 HydrophobicContact CD1-CG 4.45Å; I93-F164 HydrophobicContact CG1-CB 4.48Å; I93-F164 HydrophobicContact CG1-CD1 3.48Å; I93-F164 VanDerWaalsContact CG1-CD1 3.48Å; I93-F164 HydrophobicContact CG1-CD2 4.05Å; I93-F164 HydrophobicContact CG1-CE1 3.58Å; I93-F164 HydrophobicContact CG1-CE2 4.16Å; I93-F164 HydrophobicContact CG1-CG 3.73Å; I93-F164 HydrophobicContact CG1-CZ 3.95Å; V96-F164 HydrophobicContact CB-CE2 4.16Å; V96-F164 HydrophobicContact CG2-CD2 4.04Å; V96-F164 HydrophobicContact CG2-CE2 4.07Å; V99-F164 HydrophobicContact CG2-CE2 3.93Å; V99-F164 HydrophobicContact CG2-CZ 4.08Å; D160-F164 PolarHBondContact O-N 3.25Å; D160-F164 VanDerWaalsContact O-N 3.11Å; E161-F164 WeakPolarHBondContact O-CB 3.36Å; E161-F164 PolarHBondContact O-N 3.04Å; V162-F164 PolarHBondContact O-N 2.9Å; F164-Q166 VanDerWaalsContact C-N 3.33Å; F164-Q166 PolarHBondContact O-N 2.99Å; F164-N167 PolarHBondContact O-N 3.03Å; F164-N167 VanDerWaalsContact O-N 3.11Å; F164-L168 HydrophobicContact CD1-CD1 4.2Å; F164-L168 HydrophobicContact CD1-CG 4.27Å; F164-L168 HydrophobicContact CE1-CD1 3.69Å; F164-L168 HydrophobicContact CE1-CD2 4.11Å; F164-L168 HydrophobicContact CE1-CG 3.88Å; F164-L168 HydrophobicContact CZ-CD1 4.38Å; F164-L168 HydrophobicContact CZ-CD2 3.98Å; F164-L168 HydrophobicContact CZ-CG 4.22Å; F164-L168 PolarHBondContact O-N 3.49Å; F164-M492 HydrophobicContact CB-SD 4.05Å; F164-L494 HydrophobicContact CD2-CD1 4.33Å |
| 165 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 174.3 | -62.4 | -57.4 | 0 | 0 | 0 | 111.4 | L89 Y141 L142 L145 I156 E161 V162 N167 L168 V169 L217 I228 | L89-I165 HydrophobicContact CD1-CD1 3.89Å; Y141-I165 HydrophobicContact CE1-CD1 4.24Å; L142-I165 HydrophobicContact CD2-CD1 4.14Å; L142-I165 HydrophobicContact CD2-CG2 4.01Å; L145-I165 HydrophobicContact CD2-CD1 3.63Å; L145-I165 HydrophobicContact CD2-CG1 3.99Å; L145-I165 HydrophobicContact CD2-CG2 4.21Å; I156-I165 HydrophobicContact CD1-CD1 4.31Å; I156-I165 HydrophobicContact CD1-CG1 4.02Å; E161-I165 WeakPolarHBondContact O-CG1 3.39Å; E161-I165 PolarHBondContact O-N 3.45Å; V162-I165 PolarHBondContact O-N 3.42Å; I165-N167 VanDerWaalsContact C-N 3.25Å; I165-N167 PolarHBondContact O-N 3.32Å; I165-L168 HydrophobicContact CD1-CD1 4.1Å; I165-L168 CarbonylContact O-C 3.52Å; I165-L168 WeakPolarHBondContact O-CA 3.48Å; I165-L168 WeakPolarHBondContact O-CB 3.23Å; I165-L168 PolarHBondContact O-N 2.6Å; I165-V169 PolarHBondContact O-N 3.15Å; I165-L217 HydrophobicContact CB-CD1 3.79Å; I165-L217 HydrophobicContact CG1-CD1 4.02Å; I165-L217 HydrophobicContact CG2-CD1 3.8Å; I165-I228 HydrophobicContact CB-CD1 4.34Å; I165-I228 HydrophobicContact CG2-CD1 4.1Å; I165-I228 HydrophobicContact CG2-CG1 4.33Å |
| 166 | Q | 98.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.009 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.5 | -31.7 | 175 | -173.3 | 63 | 76.1 | 0 | 0 | 112.5 | V162 N163 F164 V169 F170 I228 H229 L486 | V162-Q166 PolarHBondContact O-N 2.96Å; N163-Q166 PolarHBondContact O-N 2.85Å; F164-Q166 VanDerWaalsContact C-N 3.33Å; F164-Q166 PolarHBondContact O-N 2.99Å; Q166-V169 WeakPolarHBondContact O-CB 3.29Å; Q166-V169 PolarHBondContact O-N 2.72Å; Q166-F170 HydrophobicContact CG-CE2 4.11Å; Q166-F170 HydrophobicContact CG-CZ 3.8Å; Q166-F170 WeakPolarHBondContact O-CD2 3.49Å; Q166-F170 WeakPolarHBondContact O-CE2 3.44Å; Q166-F170 PolarHBondContact O-N 2.98Å; Q166-I228 HydrophobicContact CB-CD1 3.8Å; Q166-H229 PolarHBondContact NE2-O 3.46Å; Q166-L486 HydrophobicContact CG-CD1 4.13Å; Q166-L486 HydrophobicContact CG-CD2 4.4Å; Q166-L486 HydrophobicContact CG-CG 3.89Å |
| 167 | N | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -78.5 | -26.8 | 171.8 | -78 | -99.7 | 0 | 0 | 0 | 113 | V99 K103 N163 F164 I165 V169 F170 Y171 G487 L494 | V99-N167 HydrophobicContact CG1-CB 4.01Å; K103-N167 PolarHBondContact NZ-OD1 2.96Å; N163-N167 PolarHBondContact O-N 2.79Å; N163-N167 PolarHBondContact O-ND2 2.73Å; F164-N167 PolarHBondContact O-N 3.03Å; F164-N167 VanDerWaalsContact O-N 3.11Å; I165-N167 VanDerWaalsContact C-N 3.25Å; I165-N167 PolarHBondContact O-N 3.32Å; N167-V169 VanDerWaalsContact C-N 3.3Å; N167-F170 HydrophobicContact CB-CD2 4.44Å; N167-F170 PolarHBondContact O-N 3.41Å; N167-Y171 PolarHBondContact O-N 3.08Å; N167-G487 PolarHBondContact ND2-O 3.16Å; N167-L494 HydrophobicContact CB-CD1 4.21Å; N167-L494 HydrophobicContact CB-CD2 4.12Å |
| 168 | L | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.2 | -28.8 | 168.2 | -64.8 | -173.6 | 0 | 0 | 0 | 112.4 | M92 V99 L112 L142 F164 I165 Y171 I172 | M92-L168 HydrophobicContact SD-CD1 3.94Å; V99-L168 HydrophobicContact CG1-CD2 4.12Å; V99-L168 HydrophobicContact CG2-CD2 3.9Å; L112-L168 HydrophobicContact CD1-CD2 3.73Å; L142-L168 HydrophobicContact CD1-CB 4.02Å; L142-L168 HydrophobicContact CD2-CB 4.22Å; L142-L168 HydrophobicContact CD2-CD1 4.13Å; F164-L168 HydrophobicContact CD1-CD1 4.2Å; F164-L168 HydrophobicContact CD1-CG 4.27Å; F164-L168 HydrophobicContact CE1-CD1 3.69Å; F164-L168 HydrophobicContact CE1-CD2 4.11Å; F164-L168 HydrophobicContact CE1-CG 3.88Å; F164-L168 HydrophobicContact CZ-CD1 4.38Å; F164-L168 HydrophobicContact CZ-CD2 3.98Å; F164-L168 HydrophobicContact CZ-CG 4.22Å; F164-L168 PolarHBondContact O-N 3.49Å; I165-L168 HydrophobicContact CD1-CD1 4.1Å; I165-L168 CarbonylContact O-C 3.52Å; I165-L168 WeakPolarHBondContact O-CA 3.48Å; I165-L168 WeakPolarHBondContact O-CB 3.23Å; I165-L168 PolarHBondContact O-N 2.6Å; L168-Y171 WeakPolarHBondContact O-CB 3.16Å; L168-Y171 PolarHBondContact O-N 3.11Å; L168-I172 WeakPolarHBondContact O-CG1 3.13Å; L168-I172 PolarHBondContact O-N 2.73Å; L168-I172 VanDerWaalsContact O-N 3.09Å |
| 169 | V | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.3 | -49.8 | 167.2 | 171.2 | 0 | 0 | 0 | 0 | 110 | I165 Q166 N167 Y171 I172 E173 L209 L212 I228 V230 | I165-V169 PolarHBondContact O-N 3.15Å; Q166-V169 WeakPolarHBondContact O-CB 3.29Å; Q166-V169 PolarHBondContact O-N 2.72Å; N167-V169 VanDerWaalsContact C-N 3.3Å; V169-Y171 PolarHBondContact O-N 2.83Å; V169-I172 WeakPolarHBondContact O-CG1 3.5Å; V169-I172 PolarHBondContact O-N 3.31Å; V169-I172 VanDerWaalsContact O-N 3.11Å; V169-E173 WeakPolarHBondContact O-CB 3.28Å; V169-E173 PolarHBondContact O-N 3.07Å; V169-L209 HydrophobicContact CG1-CD2 3.77Å; V169-L212 HydrophobicContact CG2-CD1 3.74Å; V169-I228 HydrophobicContact CG2-CG2 3.79Å; V169-V230 HydrophobicContact CG1-CG2 3.95Å |
| 170 | F | 96.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 10.2 Ų | 10.2 | 2% | 0.022 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.1 | -23.3 | 177.3 | -49.2 | -36.6 | 0 | 0 | 0 | 113.8 | K103 Q166 N167 L486 R497 | K103-F170 HydrophobicContact CD-CB 3.92Å; K103-F170 HydrophobicContact CD-CD2 4.18Å; K103-F170 HydrophobicContact CG-CB 4.12Å; Q166-F170 HydrophobicContact CG-CE2 4.11Å; Q166-F170 HydrophobicContact CG-CZ 3.8Å; Q166-F170 WeakPolarHBondContact O-CD2 3.49Å; Q166-F170 WeakPolarHBondContact O-CE2 3.44Å; Q166-F170 PolarHBondContact O-N 2.98Å; N167-F170 HydrophobicContact CB-CD2 4.44Å; N167-F170 PolarHBondContact O-N 3.41Å; F170-L486 HydrophobicContact CE1-CD2 4.23Å; F170-L486 VanDerWaalsContact CE2-O 3.3Å; F170-L486 WeakPolarHBondContact CE2-O 3.45Å; F170-L486 HydrophobicContact CZ-CB 4.28Å; F170-L486 HydrophobicContact CZ-CD2 3.94Å; F170-L486 HydrophobicContact CZ-CG 3.92Å; F170-L486 WeakPolarHBondContact CZ-O 3.39Å; F170-R497 HydrophobicContact CD1-CB 4.27Å; F170-R497 HydrophobicContact CD1-CG 3.93Å; F170-R497 HydrophobicContact CD2-CB 4.29Å; F170-R497 HydrophobicContact CE1-CB 3.82Å; F170-R497 HydrophobicContact CE1-CG 3.8Å; F170-R497 HydrophobicContact CE2-CB 3.85Å; F170-R497 HydrophobicContact CG-CG 4.38Å; F170-R497 HydrophobicContact CZ-CB 3.59Å; F170-R497 HydrophobicContact CZ-CG 4.12Å |
| 171 | Y | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 9.4 Ų | 9.4 | 0% | 0.004 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -72.3 | -39.6 | 173 | -176.1 | -79.9 | 0 | 0 | 0 | 111.9 | V99 F102 S111 L112 L135 T138 N167 L168 V169 | V99-Y171 HydrophobicContact CG1-CD2 4.42Å; F102-Y171 HydrophobicContact CB-CD2 3.83Å; F102-Y171 HydrophobicContact CB-CE2 3.66Å; F102-Y171 HydrophobicContact CD1-CD1 4.35Å; F102-Y171 AromaticContact CD1-CD2 3.27Å; F102-Y171 HydrophobicContact CD1-CD2 3.27Å; F102-Y171 HydrophobicContact CD1-CE1 4.33Å; F102-Y171 AromaticContact CD1-CE2 3.25Å; F102-Y171 HydrophobicContact CD1-CE2 3.25Å; F102-Y171 AromaticContact CD1-CG 3.84Å; F102-Y171 HydrophobicContact CD1-CG 3.84Å; F102-Y171 AromaticContact CD1-CZ 3.8Å; F102-Y171 AromaticContact CD2-CE2 3.99Å; F102-Y171 HydrophobicContact CD2-CE2 3.99Å; F102-Y171 HydrophobicContact CE1-CD1 4.25Å; F102-Y171 AromaticContact CE1-CD2 3.97Å; F102-Y171 HydrophobicContact CE1-CD2 3.97Å; F102-Y171 HydrophobicContact CE1-CE1 4.08Å; F102-Y171 AromaticContact CE1-CE2 3.79Å; F102-Y171 HydrophobicContact CE1-CE2 3.79Å; F102-Y171 HydrophobicContact CE1-CG 4.17Å; F102-Y171 AromaticContact CE1-CZ 3.82Å; F102-Y171 HydrophobicContact CE2-CE2 4.45Å; F102-Y171 AromaticContact CG-CD2 3.72Å; F102-Y171 HydrophobicContact CG-CD2 3.72Å; F102-Y171 AromaticContact CG-CE2 3.35Å; F102-Y171 HydrophobicContact CG-CE2 3.35Å; F102-Y171 HydrophobicContact CZ-CE2 4.34Å; S111-Y171 WeakPolarHBondContact CA-OH 3.26Å; S111-Y171 WeakPolarHBondContact CB-OH 3.49Å; L112-Y171 HydrophobicContact CB-CE2 4.48Å; L112-Y171 HydrophobicContact CD1-CE1 4.49Å; L112-Y171 HydrophobicContact CD1-CE2 4.29Å; L112-Y171 HydrophobicContact CG-CE2 3.97Å; L112-Y171 PolarHBondContact N-OH 3.16Å; L135-Y171 HydrophobicContact CD2-CD1 4.19Å; L135-Y171 HydrophobicContact CD2-CE1 3.58Å; T138-Y171 HydrophobicContact CG2-CD1 4.29Å; N167-Y171 PolarHBondContact O-N 3.08Å; L168-Y171 WeakPolarHBondContact O-CB 3.16Å; L168-Y171 PolarHBondContact O-N 3.11Å; V169-Y171 PolarHBondContact O-N 2.83Å |
| 172 | I | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -92.8 | -18.2 | -179 | 67.1 | 156.8 | 0 | 0 | 0 | 114.5 | T138 L142 L168 V169 A174 A175 A205 A208 L209 | T138-I172 HydrophobicContact CG2-CG2 3.93Å; L142-I172 HydrophobicContact CD1-CD1 3.74Å; L142-I172 HydrophobicContact CD1-CG1 4.1Å; L142-I172 HydrophobicContact CD1-CG2 4.32Å; L168-I172 WeakPolarHBondContact O-CG1 3.13Å; L168-I172 PolarHBondContact O-N 2.73Å; L168-I172 VanDerWaalsContact O-N 3.09Å; V169-I172 WeakPolarHBondContact O-CG1 3.5Å; V169-I172 PolarHBondContact O-N 3.31Å; V169-I172 VanDerWaalsContact O-N 3.11Å; I172-A174 PolarHBondContact O-N 3.41Å; I172-A175 WeakPolarHBondContact O-CB 3.34Å; I172-A175 PolarHBondContact O-N 2.96Å; I172-A205 HydrophobicContact CB-CB 4.39Å; I172-A208 HydrophobicContact CD1-CB 3.66Å; I172-L209 HydrophobicContact CD1-CD2 3.93Å; I172-L209 HydrophobicContact CD1-CG 3.87Å; I172-L209 HydrophobicContact CG1-CD2 3.9Å; I172-L209 HydrophobicContact CG1-CG 4.24Å |
| 173 | E | 92.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 8.5 Ų | 8.5 | 1% | 0.014 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -60.4 | -30.8 | -179.5 | 77.4 | -168.9 | 170.7 | 0 | 0 | 112.3 | V169 A175 Y176 L209 E234 R500 | V169-E173 WeakPolarHBondContact O-CB 3.28Å; V169-E173 PolarHBondContact O-N 3.07Å; E173-A175 PolarHBondContact O-N 3.06Å; E173-Y176 WeakPolarHBondContact O-CD1 3.43Å; E173-Y176 WeakPolarHBondContact O-CE1 3.43Å; E173-L209 HydrophobicContact CB-CD2 4.24Å; E173-E234 HydrophobicContact CB-CB 4.13Å; E173-E234 HydrophobicContact CB-CG 4.37Å; E173-R500 IonicContact OE1-CZ 2.79Å; E173-R500 VanDerWaalsContact OE1-CZ 3.23Å; E173-R500 IonicContact OE1-NH1 3.76Å; E173-R500 PolarHBondContact OE1-NH1 3.12Å; E173-R500 IonicContact OE1-NH2 3.43Å; E173-R500 PolarHBondContact OE1-NH2 2.99Å |
| 174 | A | 87.4 | Confident | 93.7 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 3% | 0.025 | 4% | 0.04 | C | C | . | . | G | 310 helix | trans | -75.5 | 0.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q106 I172 Y176 K177 T178 | Q106-A174 HydrophobicContact CG-CB 4.32Å; I172-A174 PolarHBondContact O-N 3.41Å; A174-Y176 PolarHBondContact O-N 3.08Å; A174-K177 HydrophobicContact CB-CG 4.39Å; A174-K177 WeakPolarHBondContact O-CG 3.27Å; A174-K177 PolarHBondContact O-N 2.98Å; A174-T178 PolarHBondContact O-N 3.21Å; A174-T178 VanDerWaalsContact O-N 3.1Å; A174-T178 PolarHBondContact O-OG1 3.26Å |
| 175 | A | 91.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 2% | 0.017 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -56.6 | -26.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L135 I172 E173 K177 L197 V202 A205 | L135-A175 HydrophobicContact CD1-CB 3.94Å; I172-A175 WeakPolarHBondContact O-CB 3.34Å; I172-A175 PolarHBondContact O-N 2.96Å; E173-A175 PolarHBondContact O-N 3.06Å; A175-K177 PolarHBondContact O-N 3.23Å; A175-L197 VanDerWaalsContact O-CD1 3.3Å; A175-L197 WeakPolarHBondContact O-CD1 3.4Å; A175-V202 WeakPolarHBondContact O-CG2 3.44Å; A175-A205 HydrophobicContact CB-CB 3.47Å; A175-A205 VanDerWaalsContact CB-CB 3.47Å |
| 176 | Y | 86.8 | Confident | 92.8 | Very high | 11 Ų | 11 | 10.8 Ų | 10.8 | 4% | 0.043 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -61.9 | -20.5 | 174.4 | 60.4 | -101.1 | 0 | 0 | 0 | 114.4 | E173 A174 E234 H237 I241 T787 | E173-Y176 WeakPolarHBondContact O-CD1 3.43Å; E173-Y176 WeakPolarHBondContact O-CE1 3.43Å; A174-Y176 PolarHBondContact O-N 3.08Å; Y176-E234 VanDerWaalsContact CE1-OE2 3.22Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.29Å; Y176-E234 PolarHBondContact OH-OE2 3.35Å; Y176-H237 HydrophobicContact CD1-CB 3.62Å; Y176-H237 HydrophobicContact CD2-CB 4.05Å; Y176-H237 HydrophobicContact CE1-CB 3.89Å; Y176-H237 HydrophobicContact CE2-CB 4.31Å; Y176-H237 HydrophobicContact CG-CB 3.71Å; Y176-I241 VanDerWaalsContact O-CD1 3.31Å; Y176-I241 WeakPolarHBondContact O-CD1 3.36Å; Y176-T787 HydrophobicContact CD2-CG2 3.52Å; Y176-T787 HydrophobicContact CE2-CG2 3.48Å; Y176-T787 VanDerWaalsContact CE2-CG2 3.48Å |
| 177 | K | 84.6 | Confident | 92.2 | Very high | 37 Ų | 37 | 10.7 Ų | 10.7 | 16% | 0.161 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -19 | -177.7 | 55.9 | 179.2 | 169.4 | -141.5 | 0 | 114.9 | A174 A175 A179 P812 | A174-K177 HydrophobicContact CB-CG 4.39Å; A174-K177 WeakPolarHBondContact O-CG 3.27Å; A174-K177 PolarHBondContact O-N 2.98Å; A175-K177 PolarHBondContact O-N 3.23Å; K177-A179 PolarHBondContact O-N 3.08Å; K177-P812 HydrophobicContact CB-CB 3.77Å; K177-P812 HydrophobicContact CB-CG 3.55Å; K177-P812 HydrophobicContact CD-CB 4.28Å |
| 178 | T | 88.4 | Confident | 91.7 | Very high | 8 Ų | 8 | 11 Ų | 11 | 5% | 0.049 | 6% | 0.055 | C | C | . | . | trans | -86.6 | 112.4 | -177.9 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | F102 Q106 L133 L135 A174 | F102-T178 HydrophobicContact CZ-CG2 3.98Å; Q106-T178 HydrophobicContact CB-CG2 4.17Å; Q106-T178 PolarHBondContact OE1-OG1 2.96Å; L133-T178 HydrophobicContact CD2-CG2 4.2Å; L135-T178 HydrophobicContact CD1-CG2 4.1Å; A174-T178 PolarHBondContact O-N 3.21Å; A174-T178 VanDerWaalsContact O-N 3.1Å; A174-T178 PolarHBondContact O-OG1 3.26Å | ||
| 179 | A | 89.4 | Confident | 91.2 | Very high | 31 Ų | 31 | 11.3 Ų | 11.3 | 26% | 0.256 | 6% | 0.057 | S | C | . | . | trans | -70.6 | 129.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | L133 K177 S195 E196 | L133-A179 WeakPolarHBondContact CD2-O 3.47Å; K177-A179 PolarHBondContact O-N 3.08Å; A179-S195 WeakPolarHBondContact O-CB 3.38Å; A179-S195 PolarHBondContact O-OG 2.79Å; A179-E196 CarbonylContact C-O 3.58Å; A179-E196 WeakPolarHBondContact CA-O 3.26Å | ||
| 180 | D | 93.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | B | Isolated β-bridge | trans | -128.8 | 179.6 | -172.5 | 85.7 | -20 | 0 | 0 | 0 | 112.8 | L133 L135 G182 S195 E196 N198 S201 | L133-D180 HydrophobicContact CD1-CB 4.47Å; L133-D180 HydrophobicContact CG-CB 3.93Å; L133-D180 WeakPolarHBondContact O-CB 3.3Å; L135-D180 HydrophobicContact CG-CB 4.25Å; L135-D180 PolarHBondContact N-OD2 3.36Å; D180-G182 VanDerWaalsContact C-N 3.3Å; D180-G182 WeakPolarHBondContact OD1-CA 3.2Å; D180-G182 PolarHBondContact OD1-N 3.42Å; D180-G182 VanDerWaalsContact OD1-N 3.07Å; D180-S195 WeakPolarHBondContact O-CA 3.46Å; D180-S195 WeakPolarHBondContact O-CB 3.32Å; D180-E196 PolarHBondContact N-O 2.88Å; D180-E196 PolarHBondContact O-N 3.5Å; D180-E196 VanDerWaalsContact O-N 3.1Å; D180-N198 PolarHBondContact O-ND2 2.89Å; D180-N198 PolarHBondContact OD1-ND2 3.06Å; D180-S201 VanDerWaalsContact CG-OG 3.3Å; D180-S201 PolarHBondContact OD1-OG 3.01Å; D180-S201 VanDerWaalsContact OD2-CB 3.23Å; D180-S201 WeakPolarHBondContact OD2-CB 3.23Å; D180-S201 PolarHBondContact OD2-OG 3.21Å |
| 181 | F | 93.6 | Very high | 89.7 | Confident | 23 Ų | 23 | 12 Ų | 12 | 10% | 0.101 | 6% | 0.061 | C | C | . | . | trans | -84.6 | -6.7 | 177.2 | -68.7 | -76.3 | 0 | 0 | 0 | 113.5 | T108 G131 L133 E185 R186 G187 | T108-F181 HydrophobicContact CG2-CE2 3.86Å; T108-F181 HydrophobicContact CG2-CZ 4.34Å; G131-F181 VanDerWaalsContact C-CD2 3.49Å; L133-F181 HydrophobicContact CB-CD2 4.04Å; L133-F181 HydrophobicContact CB-CE2 4.28Å; L133-F181 WeakPolarHBondContact O-CD2 3.38Å; L133-F181 PolarHBondContact O-N 2.76Å; F181-E185 PolarHBondContact O-N 3.42Å; F181-R186 PolarHBondContact O-N 3.38Å; F181-G187 PolarHBondContact O-N 3.27Å | ||
| 182 | G | 92.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D180 W184 E185 N198 | D180-G182 VanDerWaalsContact C-N 3.3Å; D180-G182 WeakPolarHBondContact OD1-CA 3.2Å; D180-G182 PolarHBondContact OD1-N 3.42Å; D180-G182 VanDerWaalsContact OD1-N 3.07Å; G182-W184 PolarHBondContact O-N 3.01Å; G182-E185 PolarHBondContact O-N 3Å; G182-N198 PolarHBondContact N-ND2 3.03Å |
| 183 | I | 94 | Very high | 88.3 | Confident | 8 Ų | 8 | 17.3 Ų | 17.3 | 4% | 0.041 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.5 | -177.2 | -158.7 | 171.1 | 0 | 0 | 0 | 114.7 | R45 D136 W402 | R45-I183 VanDerWaalsContact CD-CG1 3.42Å; R45-I183 VanDerWaalsContact CZ-O 3.23Å; R45-I183 PolarHBondContact NH2-O 2.97Å; D136-I183 WeakPolarHBondContact OD2-CA 3.48Å; I183-W402 HydrophobicContact CD1-CH2 3.77Å; I183-W402 HydrophobicContact CD1-CZ2 4.35Å; I183-W402 HydrophobicContact CG1-CH2 4.13Å |
| 184 | W | 93.3 | Very high | 88 | Confident | 22 Ų | 22 | 21.2 Ų | 21.2 | 8% | 0.083 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 3.3 | 178.9 | -53.5 | 130 | 0 | 0 | 0 | 114.4 | G182 R186 D256 R295 F296 F331 | G182-W184 PolarHBondContact O-N 3.01Å; W184-R186 WeakPolarHBondContact O-CG 3.25Å; W184-R186 PolarHBondContact O-N 3.16Å; W184-D256 VanDerWaalsContact CD1-OD2 3.25Å; W184-D256 PolarHBondContact NE1-OD1 3.34Å; W184-D256 PolarHBondContact NE1-OD2 3.23Å; W184-R295 HydrophobicContact CH2-CG 4.07Å; W184-R295 HydrophobicContact CZ2-CB 4Å; W184-R295 HydrophobicContact CZ2-CG 3.88Å; W184-R295 HydrophobicContact CZ3-CG 4.45Å; W184-F296 AromaticContact CD1-CD1 3.84Å; W184-F296 AromaticContact CD1-CE1 3.7Å; W184-F296 HydrophobicContact CG-CE1 4.3Å; W184-F331 HydrophobicContact CH2-CE1 4.39Å; W184-F331 AromaticContact CH2-CZ 3.76Å; W184-F331 HydrophobicContact CH2-CZ 3.76Å; W184-F331 HydrophobicContact CZ2-CE1 4.36Å; W184-F331 AromaticContact CZ2-CZ 3.74Å; W184-F331 HydrophobicContact CZ2-CZ 3.74Å |
| 185 | E | 90.8 | Very high | 88.1 | Confident | 47 Ų | 47 | 23 Ų | 23 | 22% | 0.22 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 20 | 169.9 | -28.6 | -164.9 | 125.4 | 0 | 0 | 114.5 | W43 R45 W130 Q134 F181 G182 | W43-E185 PolarHBondContact NE1-OE1 2.98Å; W43-E185 PolarHBondContact NE1-OE2 3.38Å; R45-E185 IonicContact NH2-OE1 3.86Å; R45-E185 PolarHBondContact NH2-OE1 3.02Å; W130-E185 HydrophobicContact CZ2-CB 4.47Å; W130-E185 HydrophobicContact CZ2-CG 4.43Å; W130-E185 VanDerWaalsContact CZ2-OE1 3.23Å; W130-E185 WeakPolarHBondContact CZ2-OE1 3.33Å; W130-E185 VanDerWaalsContact CZ2-OE2 3.25Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.48Å; Q134-E185 PolarHBondContact NE2-OE1 3.19Å; Q134-E185 PolarHBondContact OE1-OE1 2.9Å; F181-E185 PolarHBondContact O-N 3.42Å; G182-E185 PolarHBondContact O-N 3Å |
| 186 | R | 86.5 | Confident | 87.9 | Confident | 22 Ų | 22 | 23.7 Ų | 23.7 | 8% | 0.083 | 13% | 0.13 | C | C | . | . | trans | -113.4 | -23.9 | -172.4 | -73.3 | 176.2 | 170.1 | -150.4 | -22.4 | 113.9 | F181 W184 D188 N191 D299 E306 Y313 | F181-R186 PolarHBondContact O-N 3.38Å; W184-R186 WeakPolarHBondContact O-CG 3.25Å; W184-R186 PolarHBondContact O-N 3.16Å; R186-D188 PolarHBondContact O-N 3.34Å; R186-N191 HydrophobicContact CB-CB 4.12Å; R186-N191 HydrophobicContact CG-CB 4.05Å; R186-D299 IonicContact CZ-OD1 2.75Å; R186-D299 IonicContact NH1-OD1 2.8Å; R186-D299 PolarHBondContact NH1-OD1 2.77Å; R186-E306 IonicContact NH2-OE1 2.96Å; R186-E306 PolarHBondContact NH2-OE1 3.26Å; R186-Y313 VanDerWaalsContact CZ-OH 3.26Å; R186-Y313 PolarHBondContact NH1-OH 3.48Å; R186-Y313 PolarHBondContact NH2-OH 3.21Å | ||
| 187 | G | 86.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 66.4 | -119.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F181 I194 K253 | F181-G187 PolarHBondContact O-N 3.27Å; G187-I194 CarbonylContact C-O 3.56Å; G187-I194 WeakPolarHBondContact CA-O 3.46Å; G187-K253 PolarHBondContact O-NZ 3.44Å |
| 188 | D | 87.1 | Confident | 88.5 | Confident | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.027 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -63.3 | 155.9 | 177.9 | 113 | -59.9 | 0 | 0 | 0 | 113.5 | R186 T190 N191 I194 E196 K1065 | R186-D188 PolarHBondContact O-N 3.34Å; D188-T190 VanDerWaalsContact CG-OG1 3.25Å; D188-T190 PolarHBondContact O-N 2.92Å; D188-T190 PolarHBondContact OD1-N 2.71Å; D188-T190 PolarHBondContact OD1-OG1 3.03Å; D188-T190 PolarHBondContact OD2-N 3.37Å; D188-T190 PolarHBondContact OD2-OG1 3.34Å; D188-T190 VanDerWaalsContact OD2-OG1 3.08Å; D188-N191 PolarHBondContact O-N 2.8Å; D188-N191 PolarHBondContact OD1-N 2.93Å; D188-I194 HydrophobicContact CB-CB 4.34Å; D188-I194 HydrophobicContact CB-CG2 4.48Å; D188-I194 PolarHBondContact N-O 3.02Å; D188-E196 HydrophobicContact CB-CG 4.47Å; D188-K1065 IonicContact OD2-NZ 3.33Å; D188-K1065 PolarHBondContact OD2-NZ 3.38Å |
| 189 | K | 87 | Confident | 88.8 | Confident | 7 Ų | 7 | 22.8 Ų | 22.8 | 3% | 0.03 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28.1 | -177.9 | 175.2 | 172.7 | 171.5 | 170.7 | 0 | 114.2 | N191 S252 K253 F296 L297 L318 E1063 | K189-N191 PolarHBondContact O-N 2.86Å; K189-S252 WeakPolarHBondContact CB-OG 3.46Å; K189-S252 WeakPolarHBondContact CD-O 3.43Å; K189-S252 PolarHBondContact N-OG 3.36Å; K189-K253 HydrophobicContact CB-CG 4.3Å; K189-F296 HydrophobicContact CG-CD2 4.49Å; K189-F296 HydrophobicContact CG-CE2 4.14Å; K189-L297 WeakPolarHBondContact CE-O 3.35Å; K189-L297 PolarHBondContact NZ-O 3.26Å; K189-L318 HydrophobicContact CG-CD2 4.16Å; K189-E1063 IonicContact NZ-OE1 2.82Å; K189-E1063 PolarHBondContact NZ-OE1 2.93Å |
| 190 | T | 82.1 | Confident | 89.1 | Confident | 12 Ų | 12 | 21.6 Ų | 21.6 | 7% | 0.074 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.8 | 176.5 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | D188 Q192 L318 | D188-T190 VanDerWaalsContact CG-OG1 3.25Å; D188-T190 PolarHBondContact O-N 2.92Å; D188-T190 PolarHBondContact OD1-N 2.71Å; D188-T190 PolarHBondContact OD1-OG1 3.03Å; D188-T190 PolarHBondContact OD2-N 3.37Å; D188-T190 PolarHBondContact OD2-OG1 3.34Å; D188-T190 VanDerWaalsContact OD2-OG1 3.08Å; T190-Q192 WeakPolarHBondContact OG1-CG 3.44Å; T190-L318 HydrophobicContact CG2-CD1 4.01Å |
| 191 | N | 82.2 | Confident | 89.3 | Confident | 9 Ų | 9 | 21.7 Ų | 21.7 | 5% | 0.048 | 12% | 0.117 | C | C | . | . | trans | 52 | 60.4 | -178.4 | 179.3 | 30 | 0 | 0 | 0 | 109.9 | R186 D188 K189 L311 Y312 Y313 | R186-N191 HydrophobicContact CB-CB 4.12Å; R186-N191 HydrophobicContact CG-CB 4.05Å; D188-N191 PolarHBondContact O-N 2.8Å; D188-N191 PolarHBondContact OD1-N 2.93Å; K189-N191 PolarHBondContact O-N 2.86Å; N191-L311 PolarHBondContact ND2-O 2.72Å; N191-Y312 WeakPolarHBondContact O-CA 3.05Å; N191-Y312 WeakPolarHBondContact O-CB 3.5Å; N191-Y312 WeakPolarHBondContact O-CD1 3.39Å; N191-Y313 HydrophobicContact CB-CD2 4.12Å; N191-Y313 HydrophobicContact CB-CE2 4.35Å | ||
| 192 | Q | 82.9 | Confident | 89.4 | Confident | 81 Ų | 81 | 20.6 Ų | 20.6 | 38% | 0.379 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -112.5 | 19.5 | 179.2 | -70.7 | -177.6 | -12.5 | 0 | 0 | 112.5 | T190 I194 Y313 | T190-Q192 WeakPolarHBondContact OG1-CG 3.44Å; Q192-I194 VanDerWaalsContact C-N 3.27Å; Q192-I194 HydrophobicContact CB-CD1 4.17Å; Q192-I194 HydrophobicContact CB-CG1 4.27Å; Q192-I194 PolarHBondContact O-N 2.88Å; Q192-Y313 PolarHBondContact NE2-O 2.99Å |
| 193 | G | 81.7 | Confident | 89.7 | Confident | 30 Ų | 30 | 20.5 Ų | 20.5 | 31% | 0.309 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 75.1 | 14.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 194 | I | 85.8 | Confident | 89.9 | Confident | 86 Ų | 86 | 20.3 Ų | 20.3 | 44% | 0.441 | 11% | 0.111 | S | C | . | . | trans | -90.6 | 118.7 | 178.5 | -56.6 | 172.5 | 0 | 0 | 0 | 108.4 | G187 D188 Q192 | G187-I194 CarbonylContact C-O 3.56Å; G187-I194 WeakPolarHBondContact CA-O 3.46Å; D188-I194 HydrophobicContact CB-CB 4.34Å; D188-I194 HydrophobicContact CB-CG2 4.48Å; D188-I194 PolarHBondContact N-O 3.02Å; Q192-I194 VanDerWaalsContact C-N 3.27Å; Q192-I194 HydrophobicContact CB-CD1 4.17Å; Q192-I194 HydrophobicContact CB-CG1 4.27Å; Q192-I194 PolarHBondContact O-N 2.88Å | ||
| 195 | S | 89.1 | Confident | 90.1 | Very high | 40 Ų | 40 | 19.3 Ų | 19.3 | 28% | 0.28 | 11% | 0.107 | S | C | . | . | trans | -75.4 | 151.3 | 173.1 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | A179 D180 | A179-S195 WeakPolarHBondContact O-CB 3.38Å; A179-S195 PolarHBondContact O-OG 2.79Å; D180-S195 WeakPolarHBondContact O-CA 3.46Å; D180-S195 WeakPolarHBondContact O-CB 3.32Å | ||
| 196 | E | 88.4 | Confident | 90.5 | Very high | 17 Ų | 17 | 17 Ų | 17 | 8% | 0.079 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -142.1 | 168.8 | 174.1 | 68.8 | 177.3 | 177.5 | 0 | 0 | 110.5 | A179 D180 D188 N198 S250 S252 K253 | A179-E196 CarbonylContact C-O 3.58Å; A179-E196 WeakPolarHBondContact CA-O 3.26Å; D180-E196 PolarHBondContact N-O 2.88Å; D180-E196 PolarHBondContact O-N 3.5Å; D180-E196 VanDerWaalsContact O-N 3.1Å; D188-E196 HydrophobicContact CB-CG 4.47Å; E196-N198 PolarHBondContact O-N 3.45Å; E196-N198 PolarHBondContact O-ND2 3.48Å; E196-N198 VanDerWaalsContact O-ND2 3.12Å; E196-S250 WeakPolarHBondContact OE1-CB 3.4Å; E196-S250 PolarHBondContact OE1-OG 2.53Å; E196-S250 PolarHBondContact OE2-OG 2.63Å; E196-S252 PolarHBondContact OE1-OG 2.89Å; E196-S252 WeakPolarHBondContact OE2-CB 3.48Å; E196-S252 PolarHBondContact OE2-N 2.97Å; E196-S252 PolarHBondContact OE2-OG 3.29Å; E196-K253 IonicContact OE1-NZ 2.65Å; E196-K253 PolarHBondContact OE1-NZ 3.16Å |
| 197 | L | 89.6 | Confident | 91 | Very high | 32 Ų | 32 | 16 Ų | 16 | 17% | 0.168 | 9% | 0.092 | C | C | . | . | trans | -78.8 | 109.5 | 176.7 | -167.7 | 68.9 | 0 | 0 | 0 | 109.7 | A175 V202 I241 L245 S250 | A175-L197 VanDerWaalsContact O-CD1 3.3Å; A175-L197 WeakPolarHBondContact O-CD1 3.4Å; L197-V202 HydrophobicContact CD1-CG2 3.89Å; L197-V202 HydrophobicContact CG-CG2 4.18Å; L197-I241 HydrophobicContact CD2-CD1 3.86Å; L197-I241 HydrophobicContact CD2-CG2 3.91Å; L197-L245 HydrophobicContact CD2-CD1 4.38Å; L197-S250 WeakPolarHBondContact O-CB 3.49Å | ||
| 198 | N | 93.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.027 | 9% | 0.092 | C | C | . | . | trans | -98.1 | 123.1 | -179.6 | -65.2 | -79.4 | 0 | 0 | 0 | 111.2 | D180 G182 E196 S200 S201 V202 K253 | D180-N198 PolarHBondContact O-ND2 2.89Å; D180-N198 PolarHBondContact OD1-ND2 3.06Å; G182-N198 PolarHBondContact N-ND2 3.03Å; E196-N198 PolarHBondContact O-N 3.45Å; E196-N198 PolarHBondContact O-ND2 3.48Å; E196-N198 VanDerWaalsContact O-ND2 3.12Å; N198-S200 PolarHBondContact O-N 3.41Å; N198-S201 WeakPolarHBondContact O-CB 3.49Å; N198-S201 PolarHBondContact O-N 3.36Å; N198-V202 PolarHBondContact O-N 3.02Å; N198-V202 VanDerWaalsContact O-N 3.15Å; N198-K253 PolarHBondContact OD1-NZ 2.96Å | ||
| 199 | A | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.1 | -25.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G203 L242 L245 L246 A249 L259 | A199-G203 WeakPolarHBondContact O-CA 3.36Å; A199-G203 PolarHBondContact O-N 2.79Å; A199-L242 HydrophobicContact CB-CD2 4.26Å; A199-L242 WeakPolarHBondContact O-CD2 3.28Å; A199-L245 HydrophobicContact CB-CB 4.17Å; A199-L245 HydrophobicContact CB-CD1 3.82Å; A199-L246 HydrophobicContact CB-CD2 4.39Å; A199-A249 WeakPolarHBondContact CB-O 3.38Å; A199-A249 PolarHBondContact N-O 3.17Å; A199-L259 HydrophobicContact CB-CD2 3.74Å |
| 200 | S | 96.2 | Very high | 92.6 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 4% | 0.035 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 171.7 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | N198 M204 | N198-S200 PolarHBondContact O-N 3.41Å; S200-M204 WeakPolarHBondContact O-CB 3.27Å; S200-M204 PolarHBondContact O-N 3.02Å |
| 201 | S | 97.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.5 | -47.6 | 176.4 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | D180 N198 G203 M204 A205 | D180-S201 VanDerWaalsContact CG-OG 3.3Å; D180-S201 PolarHBondContact OD1-OG 3.01Å; D180-S201 VanDerWaalsContact OD2-CB 3.23Å; D180-S201 WeakPolarHBondContact OD2-CB 3.23Å; D180-S201 PolarHBondContact OD2-OG 3.21Å; N198-S201 WeakPolarHBondContact O-CB 3.49Å; N198-S201 PolarHBondContact O-N 3.36Å; S201-G203 VanDerWaalsContact C-N 3.31Å; S201-G203 PolarHBondContact O-N 3Å; S201-M204 PolarHBondContact O-N 2.75Å; S201-A205 WeakPolarHBondContact O-CB 3.33Å; S201-A205 PolarHBondContact O-N 2.99Å |
| 202 | V | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.7 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | A175 L197 N198 A205 K206 C238 I241 L242 | A175-V202 WeakPolarHBondContact O-CG2 3.44Å; L197-V202 HydrophobicContact CD1-CG2 3.89Å; L197-V202 HydrophobicContact CG-CG2 4.18Å; N198-V202 PolarHBondContact O-N 3.02Å; N198-V202 VanDerWaalsContact O-N 3.15Å; V202-A205 PolarHBondContact O-N 3.2Å; V202-K206 WeakPolarHBondContact O-CB 3.38Å; V202-K206 PolarHBondContact O-N 3.16Å; V202-C238 HydrophobicContact CG1-CB 3.9Å; V202-I241 HydrophobicContact CB-CG2 4.32Å; V202-I241 HydrophobicContact CG1-CB 4.15Å; V202-I241 HydrophobicContact CG1-CG2 3.86Å; V202-I241 HydrophobicContact CG2-CG2 4.02Å; V202-L242 HydrophobicContact CB-CD2 4.19Å; V202-L242 HydrophobicContact CB-CG 4.4Å; V202-L242 HydrophobicContact CG1-CD1 4.34Å; V202-L242 HydrophobicContact CG1-CD2 4.3Å; V202-L242 HydrophobicContact CG1-CG 3.96Å |
| 203 | G | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A199 S201 A207 A269 | A199-G203 WeakPolarHBondContact O-CA 3.36Å; A199-G203 PolarHBondContact O-N 2.79Å; S201-G203 VanDerWaalsContact C-N 3.31Å; S201-G203 PolarHBondContact O-N 3Å; G203-A207 PolarHBondContact O-N 3.07Å; G203-A207 VanDerWaalsContact O-N 3.13Å; G203-A269 VanDerWaalsContact O-CB 3.3Å; G203-A269 WeakPolarHBondContact O-CB 3.25Å |
| 204 | M | 98.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.02 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | 176.7 | -162.5 | 61.6 | 58.6 | 0 | 0 | 111.6 | V140 L143 S200 S201 A207 A208 P266 A267 | V140-M204 HydrophobicContact CB-CG 3.86Å; V140-M204 HydrophobicContact CB-SD 3.89Å; V140-M204 HydrophobicContact CG2-CE 4.41Å; V140-M204 HydrophobicContact CG2-SD 3.95Å; L143-M204 HydrophobicContact CD2-SD 3.61Å; S200-M204 WeakPolarHBondContact O-CB 3.27Å; S200-M204 PolarHBondContact O-N 3.02Å; S201-M204 PolarHBondContact O-N 2.75Å; M204-A207 PolarHBondContact O-N 3.24Å; M204-A208 WeakPolarHBondContact O-CB 3.48Å; M204-A208 PolarHBondContact O-N 3.17Å; M204-P266 HydrophobicContact CE-CG 4.06Å; M204-P266 HydrophobicContact SD-CG 4.42Å; M204-A267 HydrophobicContact CE-CB 4.21Å; M204-A267 HydrophobicContact SD-CB 4.31Å |
| 205 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.3 | -50.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | S139 I172 A175 S201 V202 A207 A208 L209 | S139-A205 VanDerWaalsContact OG-CA 3.29Å; S139-A205 WeakPolarHBondContact OG-CA 3.44Å; S139-A205 WeakPolarHBondContact OG-CB 3.31Å; I172-A205 HydrophobicContact CB-CB 4.39Å; A175-A205 HydrophobicContact CB-CB 3.47Å; A175-A205 VanDerWaalsContact CB-CB 3.47Å; S201-A205 WeakPolarHBondContact O-CB 3.33Å; S201-A205 PolarHBondContact O-N 2.99Å; V202-A205 PolarHBondContact O-N 3.2Å; A205-A207 VanDerWaalsContact C-N 3.27Å; A205-A207 PolarHBondContact O-N 3.5Å; A205-A208 PolarHBondContact O-N 3.05Å; A205-A208 VanDerWaalsContact O-N 3.17Å; A205-L209 WeakPolarHBondContact O-CB 3.37Å; A205-L209 VanDerWaalsContact O-CG 3.22Å; A205-L209 WeakPolarHBondContact O-CG 3.34Å; A205-L209 PolarHBondContact O-N 3.16Å |
| 206 | K | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -51.6 | -47.6 | 173.4 | -178 | 174 | -175.7 | -82.5 | 0 | 111.9 | V202 A208 L209 E210 V235 C238 Q239 L242 A269 | V202-K206 WeakPolarHBondContact O-CB 3.38Å; V202-K206 PolarHBondContact O-N 3.16Å; K206-A208 PolarHBondContact O-N 2.99Å; K206-L209 PolarHBondContact O-N 3.13Å; K206-E210 VanDerWaalsContact CE-OE1 3.24Å; K206-E210 WeakPolarHBondContact CE-OE1 3.16Å; K206-E210 IonicContact NZ-OE1 3.72Å; K206-E210 PolarHBondContact NZ-OE1 2.83Å; K206-E210 IonicContact NZ-OE2 2.82Å; K206-E210 WeakPolarHBondContact O-CB 3.46Å; K206-E210 WeakPolarHBondContact O-CG 3.28Å; K206-E210 PolarHBondContact O-N 2.91Å; K206-V235 HydrophobicContact CG-CG1 4.25Å; K206-C238 HydrophobicContact CB-CB 3.95Å; K206-C238 HydrophobicContact CG-CB 4.39Å; K206-Q239 HydrophobicContact CD-CB 4.16Å; K206-Q239 VanDerWaalsContact CE-CB 3.48Å; K206-L242 HydrophobicContact CB-CD1 4.24Å; K206-L242 HydrophobicContact CD-CD1 3.74Å; K206-A269 HydrophobicContact CD-CB 4.43Å; K206-A269 WeakPolarHBondContact CD-O 3.46Å; K206-A269 WeakPolarHBondContact CE-O 3.37Å; K206-A269 PolarHBondContact NZ-O 3.25Å |
| 207 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.8 | -37.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L143 G203 M204 A205 A211 A267 A269 R428 | L143-A207 HydrophobicContact CD1-CB 4.37Å; L143-A207 HydrophobicContact CD2-CB 4.19Å; G203-A207 PolarHBondContact O-N 3.07Å; G203-A207 VanDerWaalsContact O-N 3.13Å; M204-A207 PolarHBondContact O-N 3.24Å; A205-A207 VanDerWaalsContact C-N 3.27Å; A205-A207 PolarHBondContact O-N 3.5Å; A207-A211 WeakPolarHBondContact O-CB 3.49Å; A207-A211 PolarHBondContact O-N 3.07Å; A207-A267 HydrophobicContact CB-CB 3.6Å; A207-A267 WeakPolarHBondContact CB-O 3.46Å; A207-A269 HydrophobicContact CB-CB 4.41Å; A207-R428 PolarHBondContact O-NH1 2.9Å |
| 208 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.5 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S139 L142 L143 I172 M204 A205 K206 A211 L212 | S139-A208 VanDerWaalsContact O-CB 3.31Å; S139-A208 WeakPolarHBondContact O-CB 3.4Å; L142-A208 HydrophobicContact CB-CB 3.93Å; L143-A208 HydrophobicContact CB-CB 4.18Å; I172-A208 HydrophobicContact CD1-CB 3.66Å; M204-A208 WeakPolarHBondContact O-CB 3.48Å; M204-A208 PolarHBondContact O-N 3.17Å; A205-A208 PolarHBondContact O-N 3.05Å; A205-A208 VanDerWaalsContact O-N 3.17Å; K206-A208 PolarHBondContact O-N 2.99Å; A208-A211 PolarHBondContact O-N 2.79Å; A208-L212 WeakPolarHBondContact O-CB 3.41Å; A208-L212 WeakPolarHBondContact O-CG 3.38Å; A208-L212 PolarHBondContact O-N 2.75Å |
| 209 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.3 | -54.4 | 175.4 | -70.4 | 170.3 | 0 | 0 | 0 | 111 | V169 I172 E173 A205 K206 A211 L212 D213 V230 V235 | V169-L209 HydrophobicContact CG1-CD2 3.77Å; I172-L209 HydrophobicContact CD1-CD2 3.93Å; I172-L209 HydrophobicContact CD1-CG 3.87Å; I172-L209 HydrophobicContact CG1-CD2 3.9Å; I172-L209 HydrophobicContact CG1-CG 4.24Å; E173-L209 HydrophobicContact CB-CD2 4.24Å; A205-L209 WeakPolarHBondContact O-CB 3.37Å; A205-L209 VanDerWaalsContact O-CG 3.22Å; A205-L209 WeakPolarHBondContact O-CG 3.34Å; A205-L209 PolarHBondContact O-N 3.16Å; K206-L209 PolarHBondContact O-N 3.13Å; L209-A211 VanDerWaalsContact C-N 3.26Å; L209-A211 PolarHBondContact O-N 3.44Å; L209-L212 PolarHBondContact O-N 3.2Å; L209-D213 PolarHBondContact O-N 3.2Å; L209-D213 VanDerWaalsContact O-N 3.14Å; L209-V230 HydrophobicContact CB-CG1 3.96Å; L209-V230 HydrophobicContact CD2-CG1 3.99Å; L209-V230 WeakPolarHBondContact O-CG2 3.24Å; L209-V235 HydrophobicContact CB-CG2 3.9Å; L209-V235 HydrophobicContact CD1-CG2 4.35Å |
| 210 | E | 96.8 | Very high | 95.8 | Very high | 60 Ų | 60 | 24.2 Ų | 24.2 | 28% | 0.28 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -64.2 | -25 | 177.3 | -72.8 | 173.7 | 166.2 | 0 | 0 | 114.4 | K206 V235 R428 | K206-E210 VanDerWaalsContact CE-OE1 3.24Å; K206-E210 WeakPolarHBondContact CE-OE1 3.16Å; K206-E210 IonicContact NZ-OE1 3.72Å; K206-E210 PolarHBondContact NZ-OE1 2.83Å; K206-E210 IonicContact NZ-OE2 2.82Å; K206-E210 WeakPolarHBondContact O-CB 3.46Å; K206-E210 WeakPolarHBondContact O-CG 3.28Å; K206-E210 PolarHBondContact O-N 2.91Å; E210-V235 HydrophobicContact CG-CG1 3.64Å; E210-R428 IonicContact OE2-CZ 3.39Å; E210-R428 VanDerWaalsContact OE2-CZ 3.27Å; E210-R428 IonicContact OE2-NH1 3.76Å; E210-R428 PolarHBondContact OE2-NH1 3.41Å; E210-R428 IonicContact OE2-NH2 3.12Å; E210-R428 PolarHBondContact OE2-NH2 3.4Å |
| 211 | A | 97.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 5% | 0.05 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -82.2 | -23.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | L143 A146 A207 A208 L209 L426 | L143-A211 HydrophobicContact CD1-CB 3.7Å; A146-A211 HydrophobicContact CB-CB 3.75Å; A146-A211 WeakPolarHBondContact CB-O 3.49Å; A207-A211 WeakPolarHBondContact O-CB 3.49Å; A207-A211 PolarHBondContact O-N 3.07Å; A208-A211 PolarHBondContact O-N 2.79Å; L209-A211 VanDerWaalsContact C-N 3.26Å; L209-A211 PolarHBondContact O-N 3.44Å; A211-L426 HydrophobicContact CB-CD1 3.82Å; A211-L426 WeakPolarHBondContact O-CD1 3.49Å |
| 212 | L | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -93.3 | -19.4 | 179.1 | -74.6 | 173.2 | 0 | 0 | 0 | 113.6 | L142 A146 V169 A208 L209 E214 L215 L217 I228 V230 | L142-L212 HydrophobicContact CB-CD1 3.97Å; L142-L212 HydrophobicContact CD1-CD1 4.21Å; L142-L212 HydrophobicContact CD2-CD1 4.14Å; L142-L212 HydrophobicContact CG-CD1 4.33Å; A146-L212 HydrophobicContact CB-CD2 4.04Å; A146-L212 HydrophobicContact CB-CG 4.39Å; V169-L212 HydrophobicContact CG2-CD1 3.74Å; A208-L212 WeakPolarHBondContact O-CB 3.41Å; A208-L212 WeakPolarHBondContact O-CG 3.38Å; A208-L212 PolarHBondContact O-N 2.75Å; L209-L212 PolarHBondContact O-N 3.2Å; L212-E214 PolarHBondContact O-N 3.19Å; L212-L215 HydrophobicContact CD2-CD2 4.1Å; L212-L215 VanDerWaalsContact O-CB 3.3Å; L212-L215 WeakPolarHBondContact O-CB 3.44Å; L212-L215 PolarHBondContact O-N 3.29Å; L212-L217 HydrophobicContact CD2-CD2 4.28Å; L212-I228 HydrophobicContact CB-CG2 3.95Å; L212-V230 HydrophobicContact CB-CG2 4.42Å |
| 213 | D | 94.9 | Very high | 93.8 | Very high | 53 Ų | 53 | 35.1 Ų | 35.1 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 124.3 | -178.2 | -163 | 34.8 | 0 | 0 | 0 | 111.7 | L209 L215 V230 | L209-D213 PolarHBondContact O-N 3.2Å; L209-D213 VanDerWaalsContact O-N 3.14Å; D213-L215 PolarHBondContact O-N 3.5Å; D213-L215 VanDerWaalsContact O-N 3.15Å; D213-V230 HydrophobicContact CB-CB 3.88Å; D213-V230 HydrophobicContact CB-CG2 4.09Å; D213-V230 WeakPolarHBondContact OD1-CB 3.48Å; D213-V230 PolarHBondContact OD1-N 3.05Å |
| 214 | E | 92.3 | Very high | 93.3 | Very high | 96 Ų | 96 | 38.8 Ų | 38.8 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 21.1 | -174.6 | -56.7 | -66.7 | 132.8 | 0 | 0 | 114.5 | L212 I228 H229 | L212-E214 PolarHBondContact O-N 3.19Å; E214-I228 WeakPolarHBondContact CA-O 3.32Å; E214-I228 PolarHBondContact N-O 3.05Å; E214-H229 IonicContact OE1-CE1 3.54Å; E214-H229 IonicContact OE1-CG 3.56Å; E214-H229 IonicContact OE1-ND1 2.65Å; E214-H229 PolarHBondContact OE1-ND1 2.95Å; E214-H229 IonicContact OE2-ND1 3.61Å |
| 215 | L | 94.9 | Very high | 92.7 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.12 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.4 | 175.9 | -175.7 | 74.8 | 0 | 0 | 0 | 111.7 | A146 L212 D213 L217 V227 I228 L426 | A146-L215 HydrophobicContact CB-CD2 3.67Å; L212-L215 HydrophobicContact CD2-CD2 4.1Å; L212-L215 VanDerWaalsContact O-CB 3.3Å; L212-L215 WeakPolarHBondContact O-CB 3.44Å; L212-L215 PolarHBondContact O-N 3.29Å; D213-L215 PolarHBondContact O-N 3.5Å; D213-L215 VanDerWaalsContact O-N 3.15Å; L215-L217 HydrophobicContact CD2-CD2 4.21Å; L215-L217 PolarHBondContact O-N 3.19Å; L215-V227 WeakPolarHBondContact O-CA 3.25Å; L215-I228 PolarHBondContact O-N 3.44Å; L215-L426 HydrophobicContact CD1-CD2 4.49Å |
| 216 | D | 95.4 | Very high | 92.5 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 17% | 0.171 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 114.6 | 167.4 | -166.5 | -30.6 | 0 | 0 | 0 | 111.6 | F218 G219 G222 G223 S226 V227 | D216-F218 VanDerWaalsContact C-N 3.26Å; D216-F218 PolarHBondContact O-N 3.29Å; D216-F218 PolarHBondContact OD1-N 3.36Å; D216-G219 WeakPolarHBondContact O-CA 3.35Å; D216-G219 PolarHBondContact O-N 2.93Å; D216-G222 WeakPolarHBondContact OD2-CA 3.3Å; D216-G223 PolarHBondContact OD2-N 2.98Å; D216-S226 VanDerWaalsContact CG-OG 3.28Å; D216-S226 VanDerWaalsContact OD1-CB 3.3Å; D216-S226 WeakPolarHBondContact OD1-CB 3.48Å; D216-S226 PolarHBondContact OD1-OG 3.38Å; D216-S226 PolarHBondContact OD2-OG 3.01Å; D216-V227 HydrophobicContact CB-CG2 4.38Å |
| 217 | L | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12.9 | -178.3 | -70.4 | 178.4 | 0 | 0 | 0 | 114.8 | L145 I156 V162 I165 L212 L215 S226 I228 | L145-L217 HydrophobicContact CD2-CD2 4.26Å; L145-L217 HydrophobicContact CG-CD2 4.41Å; I156-L217 HydrophobicContact CB-CB 4.11Å; I156-L217 HydrophobicContact CG1-CB 4.1Å; I156-L217 HydrophobicContact CG1-CD1 4.28Å; I156-L217 HydrophobicContact CG1-CD2 4.32Å; I156-L217 HydrophobicContact CG1-CG 4.48Å; I156-L217 HydrophobicContact CG2-CB 4.28Å; V162-L217 HydrophobicContact CB-CD1 4.4Å; V162-L217 HydrophobicContact CG1-CD1 4.29Å; V162-L217 HydrophobicContact CG2-CB 4.27Å; V162-L217 HydrophobicContact CG2-CD1 4.19Å; I165-L217 HydrophobicContact CB-CD1 3.79Å; I165-L217 HydrophobicContact CG1-CD1 4.02Å; I165-L217 HydrophobicContact CG2-CD1 3.8Å; L212-L217 HydrophobicContact CD2-CD2 4.28Å; L215-L217 HydrophobicContact CD2-CD2 4.21Å; L215-L217 PolarHBondContact O-N 3.19Å; L217-S226 PolarHBondContact N-O 3Å; L217-I228 HydrophobicContact CD1-CD1 3.67Å; L217-I228 HydrophobicContact CD1-CG1 3.51Å; L217-I228 HydrophobicContact CD2-CG1 4.4Å; L217-I228 HydrophobicContact CG-CD1 4.46Å; L217-I228 HydrophobicContact CG-CG1 3.78Å |
| 218 | F | 95.3 | Very high | 92.2 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 3.7 | 168.2 | -59.4 | -31 | 0 | 0 | 0 | 112.3 | I156 L159 V162 D216 S226 | I156-F218 HydrophobicContact CG2-CE1 4.06Å; I156-F218 WeakPolarHBondContact O-CD1 3.39Å; L159-F218 HydrophobicContact CD2-CE2 3.95Å; L159-F218 HydrophobicContact CD2-CZ 4.23Å; V162-F218 HydrophobicContact CG2-CE1 4.18Å; V162-F218 HydrophobicContact CG2-CZ 4.05Å; D216-F218 VanDerWaalsContact C-N 3.26Å; D216-F218 PolarHBondContact O-N 3.29Å; D216-F218 PolarHBondContact OD1-N 3.36Å; F218-S226 VanDerWaalsContact CD2-OG 3.32Å; F218-S226 WeakPolarHBondContact CD2-OG 3.29Å |
| 219 | G | 90.4 | Very high | 92 | Very high | 25 Ų | 25 | 44 Ų | 44 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | 60.6 | -142.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | D216 K221 G222 | D216-G219 WeakPolarHBondContact O-CA 3.35Å; D216-G219 PolarHBondContact O-N 2.93Å; G219-K221 PolarHBondContact O-N 3.38Å; G219-G222 PolarHBondContact O-N 3.21Å |
| 220 | V | 83.1 | Confident | 91.8 | Very high | 159 Ų | 159 | 44.4 Ų | 44.4 | 96% | 0.964 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -62.4 | 0.4 | -176.5 | -56.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 221 | K | 80.9 | Confident | 91.6 | Very high | 178 Ų | 178 | 42 Ų | 42 | 77% | 0.774 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -113.7 | -2.4 | 178.6 | -64.8 | -176 | -178.5 | 176 | 0 | 113.6 | G219 | G219-K221 PolarHBondContact O-N 3.38Š|
| 222 | G | 82.9 | Confident | 91.3 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | trans | -79.9 | -167.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D216 G219 S226 | D216-G222 WeakPolarHBondContact OD2-CA 3.3Å; G219-G222 PolarHBondContact O-N 3.21Å; G222-S226 WeakPolarHBondContact CA-OG 3.45Å | ||
| 223 | G | 85.3 | Confident | 90.9 | Very high | 29 Ų | 29 | 43.3 Ų | 43.3 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | trans | -155.2 | -175.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | D216 Q225 S226 | D216-G223 PolarHBondContact OD2-N 2.98Å; G223-Q225 PolarHBondContact O-N 3.1Å; G223-S226 PolarHBondContact N-OG 2.96Å; G223-S226 VanDerWaalsContact N-OG 3.09Å; G223-S226 PolarHBondContact O-N 3.1Å; G223-S226 PolarHBondContact O-OG 3.15Å | ||
| 224 | P | 85.6 | Confident | 90.6 | Very high | 77 Ų | 77 | 41.3 Ų | 41.3 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.7 | -168 | -24 | 34.1 | 0 | 0 | 0 | 115.3 | S617 | P224-S617 VanDerWaalsContact O-CB 3.28Å; P224-S617 WeakPolarHBondContact O-CB 3.45Å; P224-S617 PolarHBondContact O-OG 3.31Å |
| 225 | Q | 87.2 | Confident | 90.6 | Very high | 78 Ų | 78 | 37.5 Ų | 37.5 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -9.5 | 175.9 | -63.9 | -173.5 | -26.9 | 0 | 0 | 114.7 | L159 G223 | L159-Q225 HydrophobicContact CD1-CB 4.45Å; L159-Q225 HydrophobicContact CD2-CB 3.98Å; L159-Q225 WeakPolarHBondContact CD2-O 3.31Å; G223-Q225 PolarHBondContact O-N 3.1Å |
| 226 | S | 92.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -103.3 | 4.2 | 175.9 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | D216 L217 F218 G222 G223 | D216-S226 VanDerWaalsContact CG-OG 3.28Å; D216-S226 VanDerWaalsContact OD1-CB 3.3Å; D216-S226 WeakPolarHBondContact OD1-CB 3.48Å; D216-S226 PolarHBondContact OD1-OG 3.38Å; D216-S226 PolarHBondContact OD2-OG 3.01Å; L217-S226 PolarHBondContact N-O 3Å; F218-S226 VanDerWaalsContact CD2-OG 3.32Å; F218-S226 WeakPolarHBondContact CD2-OG 3.29Å; G222-S226 WeakPolarHBondContact CA-OG 3.45Å; G223-S226 PolarHBondContact N-OG 2.96Å; G223-S226 VanDerWaalsContact N-OG 3.09Å; G223-S226 PolarHBondContact O-N 3.1Å; G223-S226 PolarHBondContact O-OG 3.15Å |
| 227 | V | 94.2 | Very high | 89.9 | Confident | 28 Ų | 28 | 36.3 Ų | 36.3 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 134.8 | 173.1 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | L215 D216 | L215-V227 WeakPolarHBondContact O-CA 3.25Å; D216-V227 HydrophobicContact CB-CG2 4.38Å |
| 228 | I | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 136.1 | 170.1 | -64.2 | -64.3 | 0 | 0 | 0 | 109.4 | V162 I165 Q166 V169 L212 E214 L215 L217 V230 | V162-I228 HydrophobicContact CG1-CD1 4.09Å; I165-I228 HydrophobicContact CB-CD1 4.34Å; I165-I228 HydrophobicContact CG2-CD1 4.1Å; I165-I228 HydrophobicContact CG2-CG1 4.33Å; Q166-I228 HydrophobicContact CB-CD1 3.8Å; V169-I228 HydrophobicContact CG2-CG2 3.79Å; L212-I228 HydrophobicContact CB-CG2 3.95Å; E214-I228 WeakPolarHBondContact CA-O 3.32Å; E214-I228 PolarHBondContact N-O 3.05Å; L215-I228 PolarHBondContact O-N 3.44Å; L217-I228 HydrophobicContact CD1-CD1 3.67Å; L217-I228 HydrophobicContact CD1-CG1 3.51Å; L217-I228 HydrophobicContact CD2-CG1 4.4Å; L217-I228 HydrophobicContact CG-CD1 4.46Å; L217-I228 HydrophobicContact CG-CG1 3.78Å; I228-V230 HydrophobicContact CG2-CG2 4.36Å |
| 229 | H | 94.4 | Very high | 89.4 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | trans | -113.2 | 138.2 | 176.5 | -57.7 | -76.2 | 0 | 0 | 0 | 110.8 | Q166 E214 L486 F618 | Q166-H229 PolarHBondContact NE2-O 3.46Å; E214-H229 IonicContact OE1-CE1 3.54Å; E214-H229 IonicContact OE1-CG 3.56Å; E214-H229 IonicContact OE1-ND1 2.65Å; E214-H229 PolarHBondContact OE1-ND1 2.95Å; E214-H229 IonicContact OE2-ND1 3.61Å; H229-L486 HydrophobicContact CB-CD2 4Å; H229-F618 AromaticContact CD2-CD1 3.73Å; H229-F618 AromaticContact NE2-CD1 3.78Å | ||
| 230 | V | 94.8 | Very high | 89.2 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | trans | -125.6 | 145.7 | 178.9 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | V169 L209 L212 D213 I228 V235 | V169-V230 HydrophobicContact CG1-CG2 3.95Å; L209-V230 HydrophobicContact CB-CG1 3.96Å; L209-V230 HydrophobicContact CD2-CG1 3.99Å; L209-V230 WeakPolarHBondContact O-CG2 3.24Å; L212-V230 HydrophobicContact CB-CG2 4.42Å; D213-V230 HydrophobicContact CB-CB 3.88Å; D213-V230 HydrophobicContact CB-CG2 4.09Å; D213-V230 WeakPolarHBondContact OD1-CB 3.48Å; D213-V230 PolarHBondContact OD1-N 3.05Å; I228-V230 HydrophobicContact CG2-CG2 4.36Å; V230-V235 HydrophobicContact CG1-CG2 3.81Å | ||
| 231 | L | 91.7 | Very high | 89.3 | Confident | 9 Ų | 9 | 26 Ų | 26 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | trans | -90 | 121.4 | 177.1 | -64.7 | -177 | 0 | 0 | 0 | 111.1 | D233 E234 V235 Y483 R497 M502 | L231-D233 PolarHBondContact O-N 3.37Å; L231-E234 HydrophobicContact CB-CG 4.01Å; L231-E234 PolarHBondContact O-N 2.73Å; L231-E234 VanDerWaalsContact O-N 3.16Å; L231-V235 PolarHBondContact O-N 3.39Å; L231-Y483 HydrophobicContact CD2-CD1 4.08Å; L231-Y483 HydrophobicContact CD2-CD2 4.41Å; L231-Y483 HydrophobicContact CD2-CE1 3.72Å; L231-Y483 HydrophobicContact CD2-CE2 4.07Å; L231-Y483 HydrophobicContact CD2-CG 4.41Å; L231-R497 VanDerWaalsContact CD1-NH2 3.3Å; L231-M502 HydrophobicContact CD1-CE 4.29Å; L231-M502 HydrophobicContact CD1-SD 3.98Å; L231-M502 HydrophobicContact CD2-CE 3.69Å; L231-M502 HydrophobicContact CD2-SD 4.34Å | ||
| 232 | A | 91.1 | Very high | 89.8 | Confident | 19 Ų | 19 | 17.5 Ų | 17.5 | 16% | 0.157 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.9 | -29.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V235 Q236 L505 M556 | A232-V235 PolarHBondContact O-N 3.41Å; A232-Q236 PolarHBondContact O-N 3.36Å; A232-L505 HydrophobicContact CB-CB 4.02Å; A232-L505 HydrophobicContact CB-CD1 4.39Å; A232-M556 HydrophobicContact CB-SD 4.12Å |
| 233 | D | 88.8 | Confident | 90 | Very high | 15 Ų | 15 | 18.6 Ų | 18.6 | 8% | 0.08 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 174.9 | -56.3 | -82.6 | 0 | 0 | 0 | 111.8 | L231 V235 Q236 H237 G503 V504 L505 G506 | L231-D233 PolarHBondContact O-N 3.37Å; D233-V235 VanDerWaalsContact C-N 3.31Å; D233-V235 PolarHBondContact O-N 3.13Å; D233-Q236 PolarHBondContact O-N 2.69Å; D233-Q236 VanDerWaalsContact O-N 3.1Å; D233-H237 PolarHBondContact O-CD2 3.4Å; D233-H237 PolarHBondContact O-N 3.14Å; D233-G503 VanDerWaalsContact OD1-C 3.31Å; D233-G503 VanDerWaalsContact OD1-CA 3.29Å; D233-G503 WeakPolarHBondContact OD1-CA 3.46Å; D233-V504 PolarHBondContact OD1-N 3.31Å; D233-L505 VanDerWaalsContact OD1-CB 3.25Å; D233-L505 WeakPolarHBondContact OD1-CB 3.37Å; D233-L505 PolarHBondContact OD1-N 2.93Å; D233-G506 PolarHBondContact OD2-N 3.48Å |
| 234 | E | 88.6 | Confident | 89.9 | Confident | 11 Ų | 11 | 18 Ų | 18 | 5% | 0.051 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.1 | -36.5 | 178.3 | -49.2 | -83.8 | -166.1 | 0 | 0 | 111 | E173 Y176 L231 H237 C238 R497 R500 | E173-E234 HydrophobicContact CB-CB 4.13Å; E173-E234 HydrophobicContact CB-CG 4.37Å; Y176-E234 VanDerWaalsContact CE1-OE2 3.22Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.29Å; Y176-E234 PolarHBondContact OH-OE2 3.35Å; L231-E234 HydrophobicContact CB-CG 4.01Å; L231-E234 PolarHBondContact O-N 2.73Å; L231-E234 VanDerWaalsContact O-N 3.16Å; E234-H237 PolarHBondContact O-N 2.99Å; E234-C238 PolarHBondContact O-N 3.23Å; E234-R497 IonicContact OE1-NH2 2.7Å; E234-R497 PolarHBondContact OE1-NH2 3.34Å; E234-R500 IonicContact OE1-NH1 3.87Å; E234-R500 PolarHBondContact OE1-NH1 2.93Å; E234-R500 IonicContact OE2-NH1 3.21Å |
| 235 | V | 93.2 | Very high | 90 | Very high | 16 Ų | 16 | 14.3 Ų | 14.3 | 10% | 0.097 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | K206 L209 E210 V230 L231 A232 D233 C238 Q239 | K206-V235 HydrophobicContact CG-CG1 4.25Å; L209-V235 HydrophobicContact CB-CG2 3.9Å; L209-V235 HydrophobicContact CD1-CG2 4.35Å; E210-V235 HydrophobicContact CG-CG1 3.64Å; V230-V235 HydrophobicContact CG1-CG2 3.81Å; L231-V235 PolarHBondContact O-N 3.39Å; A232-V235 PolarHBondContact O-N 3.41Å; D233-V235 VanDerWaalsContact C-N 3.31Å; D233-V235 PolarHBondContact O-N 3.13Å; V235-C238 PolarHBondContact O-N 3.16Å; V235-Q239 PolarHBondContact O-N 3.21Å |
| 236 | Q | 88.9 | Confident | 90.3 | Very high | 8 Ų | 8 | 11 Ų | 11 | 4% | 0.037 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -75.3 | -25.9 | 178.8 | -77.8 | -66.7 | -7.4 | 0 | 0 | 113.7 | A232 D233 Q239 S240 L505 Y549 R553 | A232-Q236 PolarHBondContact O-N 3.36Å; D233-Q236 PolarHBondContact O-N 2.69Å; D233-Q236 VanDerWaalsContact O-N 3.1Å; Q236-Q239 PolarHBondContact O-N 2.83Å; Q236-S240 WeakPolarHBondContact O-CB 3.39Å; Q236-S240 PolarHBondContact O-N 3.37Å; Q236-S240 PolarHBondContact O-OG 3.08Å; Q236-L505 HydrophobicContact CB-CD1 3.96Å; Q236-L505 HydrophobicContact CG-CD1 3.61Å; Q236-Y549 WeakPolarHBondContact CB-OH 3.39Å; Q236-R553 HydrophobicContact CG-CB 4.25Å; Q236-R553 PolarHBondContact NE2-O 3.44Å; Q236-R553 VanDerWaalsContact NE2-O 3.11Å |
| 237 | H | 86.3 | Confident | 90.3 | Very high | 22 Ų | 22 | 12 Ų | 12 | 10% | 0.102 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 167 | -68.8 | -62.1 | 0 | 0 | 0 | 110.8 | Y176 D233 E234 Q239 S240 I241 D788 | Y176-H237 HydrophobicContact CD1-CB 3.62Å; Y176-H237 HydrophobicContact CD2-CB 4.05Å; Y176-H237 HydrophobicContact CE1-CB 3.89Å; Y176-H237 HydrophobicContact CE2-CB 4.31Å; Y176-H237 HydrophobicContact CG-CB 3.71Å; D233-H237 PolarHBondContact O-CD2 3.4Å; D233-H237 PolarHBondContact O-N 3.14Å; E234-H237 PolarHBondContact O-N 2.99Å; H237-Q239 VanDerWaalsContact C-N 3.34Å; H237-Q239 PolarHBondContact O-N 3.12Å; H237-S240 PolarHBondContact O-N 2.91Å; H237-I241 WeakPolarHBondContact O-CG1 3.49Å; H237-I241 PolarHBondContact O-N 3.15Å; H237-D788 IonicContact CE1-OD1 2.76Å; H237-D788 IonicContact ND1-OD1 3.15Å |
| 238 | C | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 172.7 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | V202 K206 E234 V235 S240 L242 | V202-C238 HydrophobicContact CG1-CB 3.9Å; K206-C238 HydrophobicContact CB-CB 3.95Å; K206-C238 HydrophobicContact CG-CB 4.39Å; E234-C238 PolarHBondContact O-N 3.23Å; V235-C238 PolarHBondContact O-N 3.16Å; C238-S240 VanDerWaalsContact C-N 3.33Å; C238-S240 PolarHBondContact O-N 3.42Å; C238-L242 WeakPolarHBondContact O-CD1 3.32Å; C238-L242 VanDerWaalsContact O-CG 3.29Å; C238-L242 WeakPolarHBondContact O-CG 3.42Å; C238-L242 PolarHBondContact O-N 3.21Å |
| 239 | Q | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 175 | -174.9 | 51.7 | 91.3 | 0 | 0 | 112.6 | K206 V235 Q236 H237 L242 N243 A269 | K206-Q239 HydrophobicContact CD-CB 4.16Å; K206-Q239 VanDerWaalsContact CE-CB 3.48Å; V235-Q239 PolarHBondContact O-N 3.21Å; Q236-Q239 PolarHBondContact O-N 2.83Å; H237-Q239 VanDerWaalsContact C-N 3.34Å; H237-Q239 PolarHBondContact O-N 3.12Å; Q239-L242 PolarHBondContact O-N 3.14Å; Q239-N243 VanDerWaalsContact NE2-CG 3.32Å; Q239-N243 PolarHBondContact NE2-ND2 3.03Å; Q239-N243 VanDerWaalsContact NE2-ND2 3.13Å; Q239-N243 PolarHBondContact NE2-OD1 3.04Å; Q239-N243 VanDerWaalsContact O-CG 3.27Å; Q239-N243 PolarHBondContact O-N 3.31Å; Q239-N243 VanDerWaalsContact O-N 3.11Å; Q239-N243 PolarHBondContact O-ND2 3.49Å; Q239-N243 VanDerWaalsContact O-ND2 3.16Å; Q239-A269 PolarHBondContact OE1-O 2.73Å |
| 240 | S | 85.1 | Confident | 89.9 | Confident | 6 Ų | 6 | 14 Ų | 14 | 4% | 0.042 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.9 | -40.9 | -178 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | Q236 H237 C238 N243 S244 | Q236-S240 WeakPolarHBondContact O-CB 3.39Å; Q236-S240 PolarHBondContact O-N 3.37Å; Q236-S240 PolarHBondContact O-OG 3.08Å; H237-S240 PolarHBondContact O-N 2.91Å; C238-S240 VanDerWaalsContact C-N 3.33Å; C238-S240 PolarHBondContact O-N 3.42Å; S240-N243 PolarHBondContact O-N 3.48Å; S240-S244 PolarHBondContact O-N 2.97Å |
| 241 | I | 85.7 | Confident | 89.5 | Confident | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | 169.6 | -69.7 | -74.1 | 0 | 0 | 0 | 111.8 | Y176 L197 V202 H237 N243 S244 L245 | Y176-I241 VanDerWaalsContact O-CD1 3.31Å; Y176-I241 WeakPolarHBondContact O-CD1 3.36Å; L197-I241 HydrophobicContact CD2-CD1 3.86Å; L197-I241 HydrophobicContact CD2-CG2 3.91Å; V202-I241 HydrophobicContact CB-CG2 4.32Å; V202-I241 HydrophobicContact CG1-CB 4.15Å; V202-I241 HydrophobicContact CG1-CG2 3.86Å; V202-I241 HydrophobicContact CG2-CG2 4.02Å; H237-I241 WeakPolarHBondContact O-CG1 3.49Å; H237-I241 PolarHBondContact O-N 3.15Å; I241-N243 VanDerWaalsContact C-N 3.28Å; I241-N243 PolarHBondContact O-N 2.92Å; I241-S244 PolarHBondContact O-N 3.14Å; I241-S244 PolarHBondContact O-OG 2.98Å; I241-L245 HydrophobicContact CG2-CD1 3.49Å; I241-L245 VanDerWaalsContact CG2-CD1 3.49Å; I241-L245 HydrophobicContact CG2-CG 4.1Å; I241-L245 PolarHBondContact O-N 2.92Å |
| 242 | L | 90.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.8 | -39.4 | -176.9 | -72.9 | 164.2 | 0 | 0 | 0 | 111.9 | A199 V202 K206 C238 Q239 S244 L246 V262 A269 | A199-L242 HydrophobicContact CB-CD2 4.26Å; A199-L242 WeakPolarHBondContact O-CD2 3.28Å; V202-L242 HydrophobicContact CB-CD2 4.19Å; V202-L242 HydrophobicContact CB-CG 4.4Å; V202-L242 HydrophobicContact CG1-CD1 4.34Å; V202-L242 HydrophobicContact CG1-CD2 4.3Å; V202-L242 HydrophobicContact CG1-CG 3.96Å; K206-L242 HydrophobicContact CB-CD1 4.24Å; K206-L242 HydrophobicContact CD-CD1 3.74Å; C238-L242 WeakPolarHBondContact O-CD1 3.32Å; C238-L242 VanDerWaalsContact O-CG 3.29Å; C238-L242 WeakPolarHBondContact O-CG 3.42Å; C238-L242 PolarHBondContact O-N 3.21Å; Q239-L242 PolarHBondContact O-N 3.14Å; L242-S244 VanDerWaalsContact C-N 3.26Å; L242-S244 PolarHBondContact O-N 2.86Å; L242-L246 WeakPolarHBondContact O-CB 3.5Å; L242-L246 VanDerWaalsContact O-CG 3.27Å; L242-L246 WeakPolarHBondContact O-CG 3.27Å; L242-L246 PolarHBondContact O-N 3.03Å; L242-L246 VanDerWaalsContact O-N 3.12Å; L242-V262 HydrophobicContact CD2-CG1 4.22Å; L242-A269 HydrophobicContact CD1-CB 4.36Å |
| 243 | N | 88.2 | Confident | 89.5 | Confident | 52 Ų | 52 | 14.5 Ų | 14.5 | 28% | 0.278 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -68.2 | -21.3 | 176.8 | -70.2 | -24.5 | 0 | 0 | 0 | 113.8 | Q239 S240 I241 L275 | Q239-N243 VanDerWaalsContact NE2-CG 3.32Å; Q239-N243 PolarHBondContact NE2-ND2 3.03Å; Q239-N243 VanDerWaalsContact NE2-ND2 3.13Å; Q239-N243 PolarHBondContact NE2-OD1 3.04Å; Q239-N243 VanDerWaalsContact O-CG 3.27Å; Q239-N243 PolarHBondContact O-N 3.31Å; Q239-N243 VanDerWaalsContact O-N 3.11Å; Q239-N243 PolarHBondContact O-ND2 3.49Å; Q239-N243 VanDerWaalsContact O-ND2 3.16Å; S240-N243 PolarHBondContact O-N 3.48Å; I241-N243 VanDerWaalsContact C-N 3.28Å; I241-N243 PolarHBondContact O-N 2.92Å; N243-L275 HydrophobicContact CB-CD2 4.46Å |
| 244 | S | 83.6 | Confident | 89.7 | Confident | 16 Ų | 16 | 14.7 Ų | 14.7 | 11% | 0.112 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -94.3 | -31.9 | 177.5 | 81.3 | 0 | 0 | 0 | 0 | 113.2 | S240 I241 L242 R248 S791 | S240-S244 PolarHBondContact O-N 2.97Å; I241-S244 PolarHBondContact O-N 3.14Å; I241-S244 PolarHBondContact O-OG 2.98Å; L242-S244 VanDerWaalsContact C-N 3.26Å; L242-S244 PolarHBondContact O-N 2.86Å; S244-R248 PolarHBondContact O-NH2 2.93Å; S244-S791 VanDerWaalsContact CB-O 3.31Å; S244-S791 WeakPolarHBondContact CB-O 3.31Å; S244-S791 PolarHBondContact OG-O 3.37Å |
| 245 | L | 87.4 | Confident | 90 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -73.2 | -56 | 178.2 | -75.5 | 176.1 | 0 | 0 | 0 | 110.6 | L197 A199 I241 R248 | L197-L245 HydrophobicContact CD2-CD1 4.38Å; A199-L245 HydrophobicContact CB-CB 4.17Å; A199-L245 HydrophobicContact CB-CD1 3.82Å; I241-L245 HydrophobicContact CG2-CD1 3.49Å; I241-L245 VanDerWaalsContact CG2-CD1 3.49Å; I241-L245 HydrophobicContact CG2-CG 4.1Å; I241-L245 PolarHBondContact O-N 2.92Å; L245-R248 CarbonylContact C-O 3.43Å; L245-R248 WeakPolarHBondContact O-CA 3.45Å; L245-R248 VanDerWaalsContact O-CB 3.24Å; L245-R248 WeakPolarHBondContact O-CB 3.24Å; L245-R248 PolarHBondContact O-N 3.19Å; L245-R248 PolarHBondContact O-NE 3.39Å; L245-R248 PolarHBondContact O-NH2 3.44Å |
| 246 | L | 92.8 | Very high | 90.1 | Very high | 7 Ų | 7 | 13.7 Ų | 13.7 | 4% | 0.037 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 144.4 | -170.9 | -66.7 | 176.4 | 0 | 0 | 0 | 112.3 | A199 L242 R248 L259 V263 V270 L275 T279 | A199-L246 HydrophobicContact CB-CD2 4.39Å; L242-L246 WeakPolarHBondContact O-CB 3.5Å; L242-L246 VanDerWaalsContact O-CG 3.27Å; L242-L246 WeakPolarHBondContact O-CG 3.27Å; L242-L246 PolarHBondContact O-N 3.03Å; L242-L246 VanDerWaalsContact O-N 3.12Å; L246-R248 VanDerWaalsContact C-N 3.3Å; L246-L259 HydrophobicContact CD2-CD1 3.78Å; L246-L259 HydrophobicContact CD2-CD2 3.96Å; L246-L259 HydrophobicContact CD2-CG 4.32Å; L246-V263 HydrophobicContact CD1-CG1 4.26Å; L246-V270 HydrophobicContact CD1-CG2 3.51Å; L246-L275 HydrophobicContact CB-CD1 3.79Å; L246-L275 HydrophobicContact CB-CD2 4.07Å; L246-L275 HydrophobicContact CB-CG 3.98Å; L246-L275 HydrophobicContact CD1-CD2 4.27Å; L246-L275 HydrophobicContact CD1-CG 4.38Å; L246-T279 HydrophobicContact CD2-CG2 4.08Å |
| 247 | P | 93.4 | Very high | 90.6 | Very high | 25 Ų | 25 | 13.3 Ų | 13.3 | 16% | 0.162 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -78.1 | 1.3 | 3.8 | 34 | -38.8 | 0 | 0 | 0 | 115 | L259 I278 T279 E282 | P247-L259 VanDerWaalsContact O-CD1 3.31Å; P247-L259 WeakPolarHBondContact O-CD1 3.47Å; P247-I278 HydrophobicContact CB-CG2 4.18Å; P247-I278 HydrophobicContact CG-CG2 3.95Å; P247-T279 HydrophobicContact CB-CG2 4.44Å; P247-E282 HydrophobicContact CB-CB 4.25Å; P247-E282 HydrophobicContact CB-CG 4.03Å; P247-E282 HydrophobicContact CG-CG 4.01Å |
| 248 | R | 91.9 | Very high | 91.1 | Very high | 75 Ų | 75 | 12.4 Ų | 12.4 | 28% | 0.283 | 7% | 0.065 | S | C | . | . | trans | -72.9 | 149.8 | 175.7 | -54.3 | 166.3 | -72.3 | -82.4 | -9.5 | 110.4 | S244 L245 L246 E254 | S244-R248 PolarHBondContact O-NH2 2.93Å; L245-R248 CarbonylContact C-O 3.43Å; L245-R248 WeakPolarHBondContact O-CA 3.45Å; L245-R248 VanDerWaalsContact O-CB 3.24Å; L245-R248 WeakPolarHBondContact O-CB 3.24Å; L245-R248 PolarHBondContact O-N 3.19Å; L245-R248 PolarHBondContact O-NE 3.39Å; L245-R248 PolarHBondContact O-NH2 3.44Å; L246-R248 VanDerWaalsContact C-N 3.3Å; R248-E254 WeakPolarHBondContact CA-O 3.41Å; R248-E254 WeakPolarHBondContact CG-O 3.12Å | ||
| 249 | A | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -89.2 | -30.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A199 K253 D256 L259 | A199-A249 WeakPolarHBondContact CB-O 3.38Å; A199-A249 PolarHBondContact N-O 3.17Å; A249-K253 HydrophobicContact CB-CB 4.02Å; A249-K253 PolarHBondContact N-O 3.11Å; A249-D256 HydrophobicContact CB-CB 3.35Å; A249-L259 HydrophobicContact CB-CD1 4.04Å; A249-L259 HydrophobicContact CB-CD2 4.16Å; A249-L259 HydrophobicContact CB-CG 4.26Å |
| 250 | S | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -165.7 | -177.3 | 179.4 | 70.3 | 0 | 0 | 0 | 0 | 111.6 | E196 L197 S252 K253 | E196-S250 WeakPolarHBondContact OE1-CB 3.4Å; E196-S250 PolarHBondContact OE1-OG 2.53Å; E196-S250 PolarHBondContact OE2-OG 2.63Å; L197-S250 WeakPolarHBondContact O-CB 3.49Å; S250-S252 VanDerWaalsContact C-N 3.25Å; S250-S252 PolarHBondContact O-N 3.3Å; S250-S252 PolarHBondContact OG-N 3.39Å; S250-K253 PolarHBondContact N-O 3.1Å; S250-K253 PolarHBondContact O-N 3.03Å; S250-K253 WeakPolarHBondContact OG-CB 3.16Å; S250-K253 WeakPolarHBondContact OG-CG 3.49Å; S250-K253 PolarHBondContact OG-N 3.3Å |
| 251 | T | 87 | Confident | 92.3 | Very high | 38 Ų | 38 | 12.3 Ų | 12.3 | 23% | 0.233 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -58.7 | -34.2 | 173.5 | -50.4 | 0 | 0 | 0 | 0 | 113.1 | I1064 K1065 | T251-I1064 HydrophobicContact CG2-CB 3.98Å; T251-I1064 HydrophobicContact CG2-CG2 4.01Å; T251-I1064 PolarHBondContact O-N 3.03Å; T251-K1065 HydrophobicContact CG2-CB 4.33Å; T251-K1065 PolarHBondContact O-N 2.88Å |
| 252 | S | 89.8 | Confident | 92.9 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.007 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -104.9 | -3.6 | -178.7 | 71.8 | 0 | 0 | 0 | 0 | 115 | K189 E196 S250 E1063 | K189-S252 WeakPolarHBondContact CB-OG 3.46Å; K189-S252 WeakPolarHBondContact CD-O 3.43Å; K189-S252 PolarHBondContact N-OG 3.36Å; E196-S252 PolarHBondContact OE1-OG 2.89Å; E196-S252 WeakPolarHBondContact OE2-CB 3.48Å; E196-S252 PolarHBondContact OE2-N 2.97Å; E196-S252 PolarHBondContact OE2-OG 3.29Å; S250-S252 VanDerWaalsContact C-N 3.25Å; S250-S252 PolarHBondContact O-N 3.3Å; S250-S252 PolarHBondContact OG-N 3.39Å; S252-E1063 VanDerWaalsContact O-CD 3.25Å; S252-E1063 WeakPolarHBondContact O-CG 3.43Å |
| 253 | K | 91.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 12.5 Ų | 12.5 | 3% | 0.03 | 7% | 0.065 | C | C | . | . | trans | -124.8 | 102.6 | 178.1 | -57.1 | -175.3 | -161.9 | 81.8 | 0 | 110.8 | G187 K189 E196 N198 A249 S250 V255 F296 | G187-K253 PolarHBondContact O-NZ 3.44Å; K189-K253 HydrophobicContact CB-CG 4.3Å; E196-K253 IonicContact OE1-NZ 2.65Å; E196-K253 PolarHBondContact OE1-NZ 3.16Å; N198-K253 PolarHBondContact OD1-NZ 2.96Å; A249-K253 HydrophobicContact CB-CB 4.02Å; A249-K253 PolarHBondContact N-O 3.11Å; S250-K253 PolarHBondContact N-O 3.1Å; S250-K253 PolarHBondContact O-N 3.03Å; S250-K253 WeakPolarHBondContact OG-CB 3.16Å; S250-K253 WeakPolarHBondContact OG-CG 3.49Å; S250-K253 PolarHBondContact OG-N 3.3Å; K253-V255 PolarHBondContact O-N 2.92Å; K253-F296 HydrophobicContact CD-CB 4.44Å; K253-F296 HydrophobicContact CD-CD1 4.09Å; K253-F296 HydrophobicContact CD-CD2 4.48Å; K253-F296 HydrophobicContact CD-CE1 4.49Å; K253-F296 HydrophobicContact CD-CG 4.09Å | ||
| 254 | E | 92.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 10.2 Ų | 10.2 | 9% | 0.089 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -66.8 | -18.1 | -179 | 66.4 | 166.5 | -102.6 | 0 | 0 | 114.6 | R248 K286 L297 T1060 G1062 | R248-E254 WeakPolarHBondContact CA-O 3.41Å; R248-E254 WeakPolarHBondContact CG-O 3.12Å; E254-K286 WeakPolarHBondContact OE1-CE 3.11Å; E254-K286 IonicContact OE1-NZ 3.91Å; E254-K286 PolarHBondContact OE1-NZ 2.85Å; E254-L297 HydrophobicContact CG-CD1 4.02Å; E254-T1060 VanDerWaalsContact OE2-CB 3.25Å; E254-T1060 WeakPolarHBondContact OE2-CB 3.2Å; E254-T1060 PolarHBondContact OE2-OG1 2.87Å; E254-G1062 WeakPolarHBondContact OE2-CA 3.49Å; E254-G1062 PolarHBondContact OE2-N 3.47Å |
| 255 | V | 95.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.012 | 5% | 0.049 | C | C | . | . | trans | -162.1 | 151 | 169.2 | 62.1 | 0 | 0 | 0 | 0 | 108.8 | K253 E282 I283 K286 L287 F296 | K253-V255 PolarHBondContact O-N 2.92Å; V255-E282 HydrophobicContact CG2-CB 4.21Å; V255-I283 HydrophobicContact CG2-CG1 3.66Å; V255-K286 HydrophobicContact CG1-CB 4.09Å; V255-K286 HydrophobicContact CG1-CD 3.84Å; V255-L287 HydrophobicContact CG1-CD1 4.03Å; V255-L287 HydrophobicContact CG1-CD2 4.11Å; V255-L287 HydrophobicContact CG1-CG 4Å; V255-L287 HydrophobicContact CG2-CD1 4.05Å; V255-F296 WeakPolarHBondContact O-CB 3.46Å | ||
| 256 | D | 97.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 9.8 Ų | 9.8 | 2% | 0.016 | 5% | 0.05 | C | C | . | . | B | Isolated β-bridge | trans | -145.1 | 137.8 | 174.6 | -169.9 | -64.5 | 0 | 0 | 0 | 109.9 | W184 A249 S258 L259 R295 F296 | W184-D256 VanDerWaalsContact CD1-OD2 3.25Å; W184-D256 PolarHBondContact NE1-OD1 3.34Å; W184-D256 PolarHBondContact NE1-OD2 3.23Å; A249-D256 HydrophobicContact CB-CB 3.35Å; D256-S258 VanDerWaalsContact C-N 3.25Å; D256-S258 PolarHBondContact O-N 3.34Å; D256-S258 WeakPolarHBondContact OD1-CB 3.43Å; D256-S258 PolarHBondContact OD1-N 2.7Å; D256-S258 PolarHBondContact OD1-OG 3.02Å; D256-L259 HydrophobicContact CB-CG 4.43Å; D256-L259 WeakPolarHBondContact O-CB 3.49Å; D256-L259 WeakPolarHBondContact O-CG 3.29Å; D256-L259 PolarHBondContact O-N 3.41Å; D256-R295 CarbonylContact C-O 3.58Å; D256-R295 VanDerWaalsContact CA-O 3.29Å; D256-R295 WeakPolarHBondContact CA-O 3.44Å; D256-R295 VanDerWaalsContact CG-O 3.31Å; D256-F296 HydrophobicContact CB-CB 4.37Å; D256-F296 VanDerWaalsContact OD2-CD1 3.31Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.47Å |
| 257 | A | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -70.9 | -18.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L259 L260 I283 L287 C293 C294 R295 F331 | A257-L259 PolarHBondContact O-N 3.28Å; A257-L260 WeakPolarHBondContact O-CB 3.15Å; A257-L260 WeakPolarHBondContact O-CG 3.34Å; A257-L260 PolarHBondContact O-N 3.43Å; A257-I283 HydrophobicContact CB-CG2 4.18Å; A257-L287 HydrophobicContact CB-CD1 3.94Å; A257-C293 HydrophobicContact CB-CB 4.22Å; A257-C294 WeakPolarHBondContact CB-O 3.28Å; A257-R295 PolarHBondContact N-O 3.34Å; A257-F331 HydrophobicContact CB-CD1 3.67Å; A257-F331 HydrophobicContact CB-CD2 3.85Å; A257-F331 HydrophobicContact CB-CE1 3.53Å; A257-F331 HydrophobicContact CB-CE2 3.68Å; A257-F331 HydrophobicContact CB-CG 3.83Å; A257-F331 HydrophobicContact CB-CZ 3.53Å |
| 258 | S | 96.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 8.9 Ų | 8.9 | 3% | 0.028 | 4% | 0.043 | C | C | . | . | G | 310 helix | trans | -63.4 | -18.6 | 172.3 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | D256 L260 S261 | D256-S258 VanDerWaalsContact C-N 3.25Å; D256-S258 PolarHBondContact O-N 3.34Å; D256-S258 WeakPolarHBondContact OD1-CB 3.43Å; D256-S258 PolarHBondContact OD1-N 2.7Å; D256-S258 PolarHBondContact OD1-OG 3.02Å; S258-L260 PolarHBondContact O-N 3.45Å; S258-S261 WeakPolarHBondContact O-CB 3.27Å; S258-S261 PolarHBondContact O-N 3.34Å; S258-S261 PolarHBondContact O-OG 3.49Å |
| 259 | L | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.03 | C | C | . | . | G | 310 helix | trans | -62.1 | -20.2 | 174.5 | -58.1 | 177.6 | 0 | 0 | 0 | 112.5 | A199 L246 P247 A249 D256 A257 S261 V262 V263 T279 I283 | A199-L259 HydrophobicContact CB-CD2 3.74Å; L246-L259 HydrophobicContact CD2-CD1 3.78Å; L246-L259 HydrophobicContact CD2-CD2 3.96Å; L246-L259 HydrophobicContact CD2-CG 4.32Å; P247-L259 VanDerWaalsContact O-CD1 3.31Å; P247-L259 WeakPolarHBondContact O-CD1 3.47Å; A249-L259 HydrophobicContact CB-CD1 4.04Å; A249-L259 HydrophobicContact CB-CD2 4.16Å; A249-L259 HydrophobicContact CB-CG 4.26Å; D256-L259 HydrophobicContact CB-CG 4.43Å; D256-L259 WeakPolarHBondContact O-CB 3.49Å; D256-L259 WeakPolarHBondContact O-CG 3.29Å; D256-L259 PolarHBondContact O-N 3.41Å; A257-L259 PolarHBondContact O-N 3.28Å; L259-S261 PolarHBondContact O-N 3.14Å; L259-V262 WeakPolarHBondContact O-CA 3.49Å; L259-V262 WeakPolarHBondContact O-CB 3.47Å; L259-V262 PolarHBondContact O-N 3.01Å; L259-V263 WeakPolarHBondContact O-CG2 3.23Å; L259-V263 PolarHBondContact O-N 3.41Å; L259-T279 HydrophobicContact CB-CG2 3.99Å; L259-T279 HydrophobicContact CD1-CG2 4.03Å; L259-I283 HydrophobicContact CB-CD1 4.04Å |
| 260 | L | 98 | Very high | 95.5 | Very high | 2 Ų | 2 | 5.4 Ų | 5.4 | 1% | 0.01 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -55.7 | -37.2 | 168.8 | -67.9 | 175.6 | 0 | 0 | 0 | 112.3 | A257 S258 V262 S264 K280 I283 F331 Y334 F335 | A257-L260 WeakPolarHBondContact O-CB 3.15Å; A257-L260 WeakPolarHBondContact O-CG 3.34Å; A257-L260 PolarHBondContact O-N 3.43Å; S258-L260 PolarHBondContact O-N 3.45Å; L260-V262 PolarHBondContact O-N 2.92Å; L260-S264 WeakPolarHBondContact O-CB 3.16Å; L260-S264 PolarHBondContact O-N 2.89Å; L260-K280 HydrophobicContact CD2-CG 4.43Å; L260-I283 HydrophobicContact CD1-CG2 4.4Å; L260-I283 HydrophobicContact CD2-CD1 3.98Å; L260-I283 HydrophobicContact CG-CD1 3.94Å; L260-I283 HydrophobicContact CG-CG2 4.47Å; L260-F331 HydrophobicContact CD1-CB 4.1Å; L260-F331 HydrophobicContact CD1-CD1 4.2Å; L260-Y334 HydrophobicContact CB-CD1 4.48Å; L260-Y334 HydrophobicContact CB-CG 4.3Å; L260-F335 HydrophobicContact CD1-CD2 4.35Å; L260-F335 HydrophobicContact CD1-CE1 4.2Å; L260-F335 HydrophobicContact CD1-CE2 3.9Å; L260-F335 HydrophobicContact CD1-CZ 3.81Å; L260-F335 HydrophobicContact CD2-CD1 4.38Å; L260-F335 HydrophobicContact CD2-CE1 3.71Å; L260-F335 HydrophobicContact CD2-CZ 3.95Å |
| 261 | S | 97.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 7.2 Ų | 7.2 | 1% | 0.014 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -72.1 | -11.9 | 176.4 | 73.4 | 0 | 0 | 0 | 0 | 114 | S258 L259 P266 A267 | S258-S261 WeakPolarHBondContact O-CB 3.27Å; S258-S261 PolarHBondContact O-N 3.34Å; S258-S261 PolarHBondContact O-OG 3.49Å; L259-S261 PolarHBondContact O-N 3.14Å; S261-P266 WeakPolarHBondContact O-CD 3.48Å; S261-A267 WeakPolarHBondContact O-CB 3.32Å; S261-A267 PolarHBondContact O-N 2.96Å |
| 262 | V | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -95.4 | -51.9 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | L242 L259 L260 S264 F268 A269 V270 | L242-V262 HydrophobicContact CD2-CG1 4.22Å; L259-V262 WeakPolarHBondContact O-CA 3.49Å; L259-V262 WeakPolarHBondContact O-CB 3.47Å; L259-V262 PolarHBondContact O-N 3.01Å; L260-V262 PolarHBondContact O-N 2.92Å; V262-S264 VanDerWaalsContact C-N 3.32Å; V262-F268 PolarHBondContact O-N 2.9Å; V262-A269 HydrophobicContact CG1-CB 4.03Å; V262-A269 PolarHBondContact O-N 3.48Å; V262-V270 HydrophobicContact CG1-CG2 4.25Å |
| 263 | V | 97.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 5% | 0.048 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -80.6 | -14.8 | -175 | -53.3 | 0 | 0 | 0 | 0 | 113.1 | L246 L259 V270 V276 T279 K280 | L246-V263 HydrophobicContact CD1-CG1 4.26Å; L259-V263 WeakPolarHBondContact O-CG2 3.23Å; L259-V263 PolarHBondContact O-N 3.41Å; V263-V270 HydrophobicContact CG1-CG2 4.1Å; V263-V276 HydrophobicContact CB-CB 4.47Å; V263-V276 HydrophobicContact CB-CG1 4.17Å; V263-V276 HydrophobicContact CB-CG2 4.18Å; V263-V276 HydrophobicContact CG2-CG1 4.46Å; V263-T279 HydrophobicContact CG1-CG2 3.9Å; V263-K280 HydrophobicContact CG2-CG 4.2Å |
| 264 | S | 96.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 3% | 0.028 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -135.1 | -156 | 177.5 | -164.2 | 0 | 0 | 0 | 0 | 110.2 | L260 V262 A267 F268 D338 | L260-S264 WeakPolarHBondContact O-CB 3.16Å; L260-S264 PolarHBondContact O-N 2.89Å; V262-S264 VanDerWaalsContact C-N 3.32Å; S264-A267 PolarHBondContact O-N 3.43Å; S264-A267 VanDerWaalsContact O-N 3.14Å; S264-F268 PolarHBondContact O-N 2.84Å; S264-D338 VanDerWaalsContact CB-OD1 3.25Å; S264-D338 WeakPolarHBondContact CB-OD1 3.49Å; S264-D338 WeakPolarHBondContact OG-CB 3.45Å; S264-D338 PolarHBondContact OG-OD1 3.29Å |
| 265 | F | 96.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 133.1 | 178 | 180 | -93.5 | 0 | 0 | 0 | 111.6 | L52 F144 F268 Y334 L337 F341 L406 L409 I423 | L52-F265 HydrophobicContact CD1-CE1 4.34Å; L52-F265 HydrophobicContact CD1-CZ 4.32Å; F144-F265 HydrophobicContact CE1-CZ 4.28Å; F144-F265 HydrophobicContact CZ-CE1 4.5Å; F144-F265 HydrophobicContact CZ-CE2 4.47Å; F144-F265 AromaticContact CZ-CZ 3.87Å; F144-F265 HydrophobicContact CZ-CZ 3.87Å; F265-F268 HydrophobicContact CB-CE1 4.44Å; F265-F268 HydrophobicContact CB-CE2 4.19Å; F265-F268 HydrophobicContact CB-CZ 3.75Å; F265-F268 HydrophobicContact CD2-CE2 4.09Å; F265-F268 HydrophobicContact CD2-CZ 4.28Å; F265-Y334 WeakPolarHBondContact O-CD1 3.29Å; F265-Y334 VanDerWaalsContact O-CE1 3.29Å; F265-Y334 WeakPolarHBondContact O-CE1 3.44Å; F265-L337 HydrophobicContact CB-CB 4.45Å; F265-L337 HydrophobicContact CD1-CD1 3.77Å; F265-L337 HydrophobicContact CE1-CD1 4.11Å; F265-F341 HydrophobicContact CB-CD2 3.96Å; F265-F341 HydrophobicContact CB-CE2 3.8Å; F265-F341 HydrophobicContact CD2-CD2 4.38Å; F265-F341 AromaticContact CD2-CE2 3.43Å; F265-F341 HydrophobicContact CD2-CE2 3.43Å; F265-F341 VanDerWaalsContact CD2-CE2 3.43Å; F265-F341 AromaticContact CD2-CZ 3.66Å; F265-F341 HydrophobicContact CD2-CZ 3.66Å; F265-F341 HydrophobicContact CE2-CE2 4.26Å; F265-F341 HydrophobicContact CE2-CZ 4.25Å; F265-F341 HydrophobicContact CG-CD2 4.41Å; F265-F341 AromaticContact CG-CE2 3.76Å; F265-F341 HydrophobicContact CG-CE2 3.76Å; F265-F341 HydrophobicContact CG-CZ 4.43Å; F265-L406 HydrophobicContact CE1-CD2 4.16Å; F265-L409 HydrophobicContact CE1-CD2 4.29Å; F265-L409 HydrophobicContact CZ-CD2 4.16Å; F265-I423 HydrophobicContact CE2-CG2 3.58Å; F265-I423 HydrophobicContact CZ-CG2 3.9Å |
| 266 | P | 96.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.8 | -15.1 | 7.2 | 37.3 | -37 | 0 | 0 | 0 | 115.5 | Y49 L143 F144 M204 S261 | Y49-P266 HydrophobicContact CE1-CG 4.18Å; L143-P266 HydrophobicContact CD2-CB 4.1Å; L143-P266 HydrophobicContact CD2-CG 4.18Å; F144-P266 HydrophobicContact CE2-CB 3.75Å; F144-P266 HydrophobicContact CE2-CG 3.91Å; F144-P266 HydrophobicContact CZ-CB 3.51Å; F144-P266 HydrophobicContact CZ-CG 4.15Å; M204-P266 HydrophobicContact CE-CG 4.06Å; M204-P266 HydrophobicContact SD-CG 4.42Å; S261-P266 WeakPolarHBondContact O-CD 3.48Å |
| 267 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -41.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M204 A207 S261 S264 A269 R428 | M204-A267 HydrophobicContact CE-CB 4.21Å; M204-A267 HydrophobicContact SD-CB 4.31Å; A207-A267 HydrophobicContact CB-CB 3.6Å; A207-A267 WeakPolarHBondContact CB-O 3.46Å; S261-A267 WeakPolarHBondContact O-CB 3.32Å; S261-A267 PolarHBondContact O-N 2.96Å; S264-A267 PolarHBondContact O-N 3.43Å; S264-A267 VanDerWaalsContact O-N 3.14Å; A267-A269 HydrophobicContact CB-CB 4.2Å; A267-A269 PolarHBondContact O-N 3.32Å; A267-A269 VanDerWaalsContact O-N 3.17Å; A267-R428 VanDerWaalsContact O-CZ 3.24Å; A267-R428 PolarHBondContact O-NE 3.44Å; A267-R428 PolarHBondContact O-NH2 3.37Å |
| 268 | F | 97.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | trans | 46.8 | 38.6 | -171.2 | -54.1 | -78.6 | 0 | 0 | 0 | 113.1 | V262 S264 F265 V270 F341 R428 R429 S431 | V262-F268 PolarHBondContact O-N 2.9Å; S264-F268 PolarHBondContact O-N 2.84Å; F265-F268 HydrophobicContact CB-CE1 4.44Å; F265-F268 HydrophobicContact CB-CE2 4.19Å; F265-F268 HydrophobicContact CB-CZ 3.75Å; F265-F268 HydrophobicContact CD2-CE2 4.09Å; F265-F268 HydrophobicContact CD2-CZ 4.28Å; F268-V270 VanDerWaalsContact C-N 3.31Å; F268-V270 PolarHBondContact O-N 2.67Å; F268-F341 HydrophobicContact CE1-CB 4.29Å; F268-F341 HydrophobicContact CE1-CD1 4.43Å; F268-F341 HydrophobicContact CE1-CG 4.21Å; F268-F341 HydrophobicContact CE2-CE1 4.38Å; F268-F341 HydrophobicContact CZ-CB 4.28Å; F268-F341 AromaticContact CZ-CD1 3.72Å; F268-F341 HydrophobicContact CZ-CD1 3.72Å; F268-F341 AromaticContact CZ-CD2 3.89Å; F268-F341 HydrophobicContact CZ-CD2 3.89Å; F268-F341 AromaticContact CZ-CE1 3.96Å; F268-F341 HydrophobicContact CZ-CE1 3.96Å; F268-F341 HydrophobicContact CZ-CE2 4.14Å; F268-F341 AromaticContact CZ-CG 3.7Å; F268-F341 HydrophobicContact CZ-CG 3.7Å; F268-F341 HydrophobicContact CZ-CZ 4.17Å; F268-R428 HydrophobicContact CB-CB 4.28Å; F268-R428 WeakPolarHBondContact CB-O 3.37Å; F268-R428 HydrophobicContact CD2-CB 3.98Å; F268-R429 HydrophobicContact CD1-CB 4.19Å; F268-R429 HydrophobicContact CD2-CB 4.28Å; F268-R429 HydrophobicContact CE1-CB 3.96Å; F268-R429 HydrophobicContact CE2-CB 4.04Å; F268-R429 HydrophobicContact CG-CB 4.34Å; F268-R429 HydrophobicContact CZ-CB 3.87Å; F268-S431 VanDerWaalsContact O-CB 3.29Å; F268-S431 WeakPolarHBondContact O-CB 3.49Å; F268-S431 PolarHBondContact O-OG 3.36Å | ||
| 269 | A | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -77.5 | -11.4 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G203 K206 A207 Q239 L242 V262 A267 | G203-A269 VanDerWaalsContact O-CB 3.3Å; G203-A269 WeakPolarHBondContact O-CB 3.25Å; K206-A269 HydrophobicContact CD-CB 4.43Å; K206-A269 WeakPolarHBondContact CD-O 3.46Å; K206-A269 WeakPolarHBondContact CE-O 3.37Å; K206-A269 PolarHBondContact NZ-O 3.25Å; A207-A269 HydrophobicContact CB-CB 4.41Å; Q239-A269 PolarHBondContact OE1-O 2.73Å; L242-A269 HydrophobicContact CD1-CB 4.36Å; V262-A269 HydrophobicContact CG1-CB 4.03Å; V262-A269 PolarHBondContact O-N 3.48Å; A267-A269 HydrophobicContact CB-CB 4.2Å; A267-A269 PolarHBondContact O-N 3.32Å; A267-A269 VanDerWaalsContact O-N 3.17Å | ||
| 270 | V | 95.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | trans | -104.2 | 120.4 | -173.7 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | L246 V262 V263 F268 D272 L275 V276 T432 | L246-V270 HydrophobicContact CD1-CG2 3.51Å; V262-V270 HydrophobicContact CG1-CG2 4.25Å; V263-V270 HydrophobicContact CG1-CG2 4.1Å; F268-V270 VanDerWaalsContact C-N 3.31Å; F268-V270 PolarHBondContact O-N 2.67Å; V270-D272 HydrophobicContact CG1-CB 4.49Å; V270-L275 HydrophobicContact CG1-CB 4.29Å; V270-L275 HydrophobicContact CG1-CD2 4.05Å; V270-L275 HydrophobicContact CG1-CG 4.32Å; V270-V276 HydrophobicContact CB-CG2 3.82Å; V270-V276 HydrophobicContact CG1-CG2 3.85Å; V270-T432 WeakPolarHBondContact O-CG2 3.47Å | ||
| 271 | E | 91.3 | Very high | 96.3 | Very high | 38 Ų | 38 | 32 Ų | 32 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | trans | -77.6 | -25.9 | 178.6 | -64.3 | 178.8 | -173.3 | 0 | 0 | 113.5 | S273 T432 R555 | E271-S273 PolarHBondContact O-N 2.9Å; E271-T432 WeakPolarHBondContact O-CA 3.3Å; E271-R555 IonicContact OE1-NE 3.92Å; E271-R555 PolarHBondContact OE1-NE 3.26Å; E271-R555 IonicContact OE2-CZ 2.65Å; E271-R555 VanDerWaalsContact OE2-CZ 3.26Å; E271-R555 IonicContact OE2-NE 2.92Å; E271-R555 PolarHBondContact OE2-NE 3.21Å; E271-R555 IonicContact OE2-NH2 3.9Å; E271-R555 PolarHBondContact OE2-NH2 2.96Å | ||
| 272 | D | 92.3 | Very high | 96.3 | Very high | 75 Ų | 75 | 34.6 Ų | 34.6 | 40% | 0.401 | 18% | 0.176 | S | C | . | . | trans | -83.9 | 108.7 | -178.4 | -175.4 | -20.1 | 0 | 0 | 0 | 111.2 | V270 H274 L275 V276 | V270-D272 HydrophobicContact CG1-CB 4.49Å; D272-H274 VanDerWaalsContact C-N 3.28Å; D272-H274 PolarHBondContact O-N 3.24Å; D272-H274 WeakPolarHBondContact OD1-CA 3.35Å; D272-H274 VanDerWaalsContact OD1-CB 3.31Å; D272-H274 WeakPolarHBondContact OD1-CB 3.18Å; D272-H274 PolarHBondContact OD1-N 3.27Å; D272-L275 HydrophobicContact CB-CB 3.85Å; D272-L275 PolarHBondContact O-N 2.88Å; D272-L275 PolarHBondContact OD1-N 2.9Å; D272-V276 WeakPolarHBondContact O-CG2 3.46Å; D272-V276 PolarHBondContact O-N 3.4Å | ||
| 273 | S | 93.3 | Very high | 96.3 | Very high | 76 Ų | 76 | 34.6 Ų | 34.6 | 53% | 0.531 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.4 | -29.1 | 179.2 | 57.9 | 0 | 0 | 0 | 0 | 114 | E271 E277 | E271-S273 PolarHBondContact O-N 2.9Å; S273-E277 PolarHBondContact O-N 3.2Å; S273-E277 VanDerWaalsContact O-N 3.14Å |
| 274 | H | 95.6 | Very high | 96.3 | Very high | 126 Ų | 126 | 36.8 Ų | 36.8 | 58% | 0.583 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -72.8 | -39.3 | 176.1 | -176 | 47.6 | 0 | 0 | 0 | 111 | D272 E277 I278 | D272-H274 VanDerWaalsContact C-N 3.28Å; D272-H274 PolarHBondContact O-N 3.24Å; D272-H274 WeakPolarHBondContact OD1-CA 3.35Å; D272-H274 VanDerWaalsContact OD1-CB 3.31Å; D272-H274 WeakPolarHBondContact OD1-CB 3.18Å; D272-H274 PolarHBondContact OD1-N 3.27Å; H274-E277 PolarHBondContact O-N 2.96Å; H274-I278 WeakPolarHBondContact NE2-CD1 3.5Å; H274-I278 WeakPolarHBondContact O-CG1 3.29Å; H274-I278 PolarHBondContact O-N 2.76Å |
| 275 | L | 95.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 175.7 | -173.3 | 59.6 | 0 | 0 | 0 | 112.3 | N243 L246 V270 D272 T279 | N243-L275 HydrophobicContact CB-CD2 4.46Å; L246-L275 HydrophobicContact CB-CD1 3.79Å; L246-L275 HydrophobicContact CB-CD2 4.07Å; L246-L275 HydrophobicContact CB-CG 3.98Å; L246-L275 HydrophobicContact CD1-CD2 4.27Å; L246-L275 HydrophobicContact CD1-CG 4.38Å; V270-L275 HydrophobicContact CG1-CB 4.29Å; V270-L275 HydrophobicContact CG1-CD2 4.05Å; V270-L275 HydrophobicContact CG1-CG 4.32Å; D272-L275 HydrophobicContact CB-CB 3.85Å; D272-L275 PolarHBondContact O-N 2.88Å; D272-L275 PolarHBondContact OD1-N 2.9Å; L275-T279 WeakPolarHBondContact O-CB 3.41Å; L275-T279 PolarHBondContact O-N 3.41Å; L275-T279 PolarHBondContact O-OG1 3.49Å |
| 276 | V | 96.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 9% | 0.085 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.6 | -50.9 | 170 | 167.8 | 0 | 0 | 0 | 0 | 110.3 | V263 V270 D272 T279 K280 T432 | V263-V276 HydrophobicContact CB-CB 4.47Å; V263-V276 HydrophobicContact CB-CG1 4.17Å; V263-V276 HydrophobicContact CB-CG2 4.18Å; V263-V276 HydrophobicContact CG2-CG1 4.46Å; V270-V276 HydrophobicContact CB-CG2 3.82Å; V270-V276 HydrophobicContact CG1-CG2 3.85Å; D272-V276 WeakPolarHBondContact O-CG2 3.46Å; D272-V276 PolarHBondContact O-N 3.4Å; V276-T279 PolarHBondContact O-N 2.96Å; V276-K280 HydrophobicContact CG1-CD 4.33Å; V276-K280 WeakPolarHBondContact O-CG 3.48Å; V276-K280 PolarHBondContact O-N 3.44Å; V276-T432 HydrophobicContact CG2-CG2 4.28Å |
| 277 | E | 96.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 44.4 Ų | 44.4 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.7 | -44 | -176.1 | -168.8 | 57.9 | -156.2 | 0 | 0 | 112.8 | S273 H274 T279 K280 Q281 | S273-E277 PolarHBondContact O-N 3.2Å; S273-E277 VanDerWaalsContact O-N 3.14Å; H274-E277 PolarHBondContact O-N 2.96Å; E277-T279 VanDerWaalsContact C-N 3.27Å; E277-T279 PolarHBondContact O-N 3.44Å; E277-K280 PolarHBondContact O-N 3.24Å; E277-Q281 WeakPolarHBondContact O-CB 3.49Å; E277-Q281 PolarHBondContact O-N 3.15Å |
| 278 | I | 97.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 33% | 0.328 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.2 | -42.3 | 173.5 | -73 | 172.9 | 0 | 0 | 0 | 110.8 | P247 H274 Q281 E282 | P247-I278 HydrophobicContact CB-CG2 4.18Å; P247-I278 HydrophobicContact CG-CG2 3.95Å; H274-I278 WeakPolarHBondContact NE2-CD1 3.5Å; H274-I278 WeakPolarHBondContact O-CG1 3.29Å; H274-I278 PolarHBondContact O-N 2.76Å; I278-Q281 PolarHBondContact O-N 3.22Å; I278-E282 HydrophobicContact CG2-CG 4.4Å; I278-E282 WeakPolarHBondContact O-CB 3.43Å; I278-E282 WeakPolarHBondContact O-CG 3.37Å; I278-E282 PolarHBondContact O-N 2.74Å |
| 279 | T | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 179.5 | -56 | 0 | 0 | 0 | 0 | 111.4 | L246 P247 L259 V263 L275 V276 E277 I283 | L246-T279 HydrophobicContact CD2-CG2 4.08Å; P247-T279 HydrophobicContact CB-CG2 4.44Å; L259-T279 HydrophobicContact CB-CG2 3.99Å; L259-T279 HydrophobicContact CD1-CG2 4.03Å; V263-T279 HydrophobicContact CG1-CG2 3.9Å; L275-T279 WeakPolarHBondContact O-CB 3.41Å; L275-T279 PolarHBondContact O-N 3.41Å; L275-T279 PolarHBondContact O-OG1 3.49Å; V276-T279 PolarHBondContact O-N 2.96Å; E277-T279 VanDerWaalsContact C-N 3.27Å; E277-T279 PolarHBondContact O-N 3.44Å; T279-I283 HydrophobicContact CG2-CD1 4.15Å; T279-I283 WeakPolarHBondContact O-CD1 3.33Å; T279-I283 VanDerWaalsContact O-CG1 3.27Å; T279-I283 WeakPolarHBondContact O-CG1 3.48Å; T279-I283 PolarHBondContact O-N 3.46Å; T279-I283 VanDerWaalsContact O-N 3.15Å |
| 280 | K | 97.4 | Very high | 96.1 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 10% | 0.096 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 173.9 | -70.2 | 176.8 | -179.5 | -171.3 | 0 | 111.7 | L260 V263 V276 E277 E282 I283 I284 D338 | L260-K280 HydrophobicContact CD2-CG 4.43Å; V263-K280 HydrophobicContact CG2-CG 4.2Å; V276-K280 HydrophobicContact CG1-CD 4.33Å; V276-K280 WeakPolarHBondContact O-CG 3.48Å; V276-K280 PolarHBondContact O-N 3.44Å; E277-K280 PolarHBondContact O-N 3.24Å; K280-E282 PolarHBondContact O-N 2.92Å; K280-I283 PolarHBondContact O-N 3.41Å; K280-I284 WeakPolarHBondContact O-CG1 3.36Å; K280-I284 PolarHBondContact O-N 2.98Å; K280-D338 VanDerWaalsContact CE-OD1 3.27Å; K280-D338 WeakPolarHBondContact CE-OD1 3.18Å; K280-D338 WeakPolarHBondContact CE-OD2 3.37Å; K280-D338 IonicContact NZ-OD1 3.79Å; K280-D338 PolarHBondContact NZ-OD1 2.9Å; K280-D338 IonicContact NZ-OD2 3.99Å; K280-D338 PolarHBondContact NZ-OD2 3.36Å |
| 281 | Q | 97.6 | Very high | 96.2 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | -178 | -172.9 | 59.1 | 42.7 | 0 | 0 | 112.1 | E277 I278 I284 T285 | E277-Q281 WeakPolarHBondContact O-CB 3.49Å; E277-Q281 PolarHBondContact O-N 3.15Å; I278-Q281 PolarHBondContact O-N 3.22Å; Q281-I284 PolarHBondContact O-N 3.44Å; Q281-T285 PolarHBondContact NE2-OG1 2.95Å; Q281-T285 WeakPolarHBondContact O-CB 3.38Å; Q281-T285 PolarHBondContact O-N 2.72Å; Q281-T285 PolarHBondContact O-OG1 3.43Å |
| 282 | E | 97.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 173.9 | -77 | -76.2 | 125.4 | 0 | 0 | 111.9 | P247 V255 I278 K280 T285 K286 | P247-E282 HydrophobicContact CB-CB 4.25Å; P247-E282 HydrophobicContact CB-CG 4.03Å; P247-E282 HydrophobicContact CG-CG 4.01Å; V255-E282 HydrophobicContact CG2-CB 4.21Å; I278-E282 HydrophobicContact CG2-CG 4.4Å; I278-E282 WeakPolarHBondContact O-CB 3.43Å; I278-E282 WeakPolarHBondContact O-CG 3.37Å; I278-E282 PolarHBondContact O-N 2.74Å; K280-E282 PolarHBondContact O-N 2.92Å; E282-T285 PolarHBondContact O-N 3.19Å; E282-K286 VanDerWaalsContact O-CB 3.31Å; E282-K286 WeakPolarHBondContact O-CB 3.47Å; E282-K286 PolarHBondContact O-N 3.03Å; E282-K286 WeakPolarHBondContact OE2-CD 3.22Å; E282-K286 WeakPolarHBondContact OE2-CE 3.28Å; E282-K286 IonicContact OE2-NZ 3.49Å; E282-K286 PolarHBondContact OE2-NZ 2.75Å |
| 283 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -48.6 | 175.4 | -66.3 | 164.6 | 0 | 0 | 0 | 110.6 | V255 A257 L259 L260 T279 K280 L287 Q288 F335 | V255-I283 HydrophobicContact CG2-CG1 3.66Å; A257-I283 HydrophobicContact CB-CG2 4.18Å; L259-I283 HydrophobicContact CB-CD1 4.04Å; L260-I283 HydrophobicContact CD1-CG2 4.4Å; L260-I283 HydrophobicContact CD2-CD1 3.98Å; L260-I283 HydrophobicContact CG-CD1 3.94Å; L260-I283 HydrophobicContact CG-CG2 4.47Å; T279-I283 HydrophobicContact CG2-CD1 4.15Å; T279-I283 WeakPolarHBondContact O-CD1 3.33Å; T279-I283 VanDerWaalsContact O-CG1 3.27Å; T279-I283 WeakPolarHBondContact O-CG1 3.48Å; T279-I283 PolarHBondContact O-N 3.46Å; T279-I283 VanDerWaalsContact O-N 3.15Å; K280-I283 PolarHBondContact O-N 3.41Å; I283-L287 HydrophobicContact CG2-CD1 4.41Å; I283-L287 WeakPolarHBondContact O-CA 3.44Å; I283-L287 VanDerWaalsContact O-CB 3.29Å; I283-L287 WeakPolarHBondContact O-CB 3.42Å; I283-L287 PolarHBondContact O-N 3.05Å; I283-Q288 PolarHBondContact O-N 3.01Å; I283-F335 HydrophobicContact CG2-CZ 4.37Å |
| 284 | I | 97.4 | Very high | 96.9 | Very high | 54 Ų | 54 | 45.1 Ų | 45.1 | 28% | 0.277 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 178.2 | -65.1 | 164.4 | 0 | 0 | 0 | 110.4 | K280 Q281 K286 Q288 F335 | K280-I284 WeakPolarHBondContact O-CG1 3.36Å; K280-I284 PolarHBondContact O-N 2.98Å; Q281-I284 PolarHBondContact O-N 3.44Å; I284-K286 PolarHBondContact O-N 3.2Å; I284-Q288 VanDerWaalsContact O-CB 3.26Å; I284-Q288 WeakPolarHBondContact O-CB 3.12Å; I284-Q288 PolarHBondContact O-N 2.8Å; I284-F335 HydrophobicContact CD1-CE1 3.97Å; I284-F335 HydrophobicContact CD1-CZ 4.13Å; I284-F335 HydrophobicContact CG1-CE1 3.93Å; I284-F335 HydrophobicContact CG1-CE2 4.42Å; I284-F335 HydrophobicContact CG1-CZ 3.56Å |
| 285 | T | 96.9 | Very high | 97 | Very high | 91 Ų | 91 | 39.6 Ų | 39.6 | 56% | 0.558 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -69.1 | -32.6 | -174.3 | -52.6 | 0 | 0 | 0 | 0 | 113.3 | Q281 E282 | Q281-T285 PolarHBondContact NE2-OG1 2.95Å; Q281-T285 WeakPolarHBondContact O-CB 3.38Å; Q281-T285 PolarHBondContact O-N 2.72Å; Q281-T285 PolarHBondContact O-OG1 3.43Å; E282-T285 PolarHBondContact O-N 3.19Å |
| 286 | K | 95.9 | Very high | 97 | Very high | 77 Ų | 77 | 38.6 Ų | 38.6 | 34% | 0.335 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -108.7 | -25.8 | -172.5 | -66.5 | 177.8 | 172.3 | 175.8 | 0 | 115.1 | E254 V255 E282 I284 L297 | E254-K286 WeakPolarHBondContact OE1-CE 3.11Å; E254-K286 IonicContact OE1-NZ 3.91Å; E254-K286 PolarHBondContact OE1-NZ 2.85Å; V255-K286 HydrophobicContact CG1-CB 4.09Å; V255-K286 HydrophobicContact CG1-CD 3.84Å; E282-K286 VanDerWaalsContact O-CB 3.31Å; E282-K286 WeakPolarHBondContact O-CB 3.47Å; E282-K286 PolarHBondContact O-N 3.03Å; E282-K286 WeakPolarHBondContact OE2-CD 3.22Å; E282-K286 WeakPolarHBondContact OE2-CE 3.28Å; E282-K286 IonicContact OE2-NZ 3.49Å; E282-K286 PolarHBondContact OE2-NZ 2.75Å; I284-K286 PolarHBondContact O-N 3.2Å; K286-L297 WeakPolarHBondContact O-CD2 3.3Å |
| 287 | L | 97.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -118 | -17.9 | -170.6 | -56.2 | -180 | 0 | 0 | 0 | 113.8 | V255 A257 I283 C293 C294 L297 | V255-L287 HydrophobicContact CG1-CD1 4.03Å; V255-L287 HydrophobicContact CG1-CD2 4.11Å; V255-L287 HydrophobicContact CG1-CG 4Å; V255-L287 HydrophobicContact CG2-CD1 4.05Å; A257-L287 HydrophobicContact CB-CD1 3.94Å; I283-L287 HydrophobicContact CG2-CD1 4.41Å; I283-L287 WeakPolarHBondContact O-CA 3.44Å; I283-L287 VanDerWaalsContact O-CB 3.29Å; I283-L287 WeakPolarHBondContact O-CB 3.42Å; I283-L287 PolarHBondContact O-N 3.05Å; L287-C293 HydrophobicContact CB-CB 4.28Å; L287-C293 CarbonylContact O-C 3.18Å; L287-C293 WeakPolarHBondContact O-CA 3.33Å; L287-C293 WeakPolarHBondContact O-CB 3.38Å; L287-C294 HydrophobicContact CD2-CB 4.43Å; L287-C294 PolarHBondContact O-N 3.37Å; L287-L297 HydrophobicContact CD2-CD2 3.91Å; L287-L297 HydrophobicContact CD2-CG 4.01Å |
| 288 | Q | 96.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 28% | 0.28 | 17% | 0.172 | S | C | . | . | B | Isolated β-bridge | trans | -74.1 | 132.9 | 179.3 | -173.8 | 160.9 | -61.2 | 0 | 0 | 112.3 | I283 I284 Y351 | I283-Q288 PolarHBondContact O-N 3.01Å; I284-Q288 VanDerWaalsContact O-CB 3.26Å; I284-Q288 WeakPolarHBondContact O-CB 3.12Å; I284-Q288 PolarHBondContact O-N 2.8Å; Q288-Y351 PolarHBondContact OE1-OH 3.3Å |
| 289 | G | 95.5 | Very high | 96.6 | Very high | 16 Ų | 16 | 32 Ų | 32 | 17% | 0.165 | 16% | 0.156 | C | C | . | . | trans | -124.1 | -159.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G292 E327 | G289-G292 PolarHBondContact N-O 2.93Å; G289-E327 VanDerWaalsContact C-OE2 3.3Å; G289-E327 WeakPolarHBondContact CA-OE2 3.44Å | ||
| 290 | R | 95.8 | Very high | 96.4 | Very high | 105 Ų | 105 | 32 Ų | 32 | 40% | 0.396 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -83.7 | -9 | -175.6 | -61.9 | -164.5 | -66.9 | 126.1 | -2.9 | 114.5 | E327 W332 H388 T389 V390 D391 | R290-E327 PolarHBondContact N-OE2 3.47Å; R290-W332 WeakPolarHBondContact O-CH2 3.38Å; R290-H388 PolarHBondContact NE-O 2.92Å; R290-T389 PolarHBondContact NH2-O 2.86Å; R290-V390 PolarHBondContact NH2-O 3.16Å; R290-D391 IonicContact CZ-OD1 3.23Å; R290-D391 VanDerWaalsContact CZ-OD1 3.31Å; R290-D391 IonicContact NH1-OD1 2.79Å; R290-D391 PolarHBondContact NH1-OD1 3.12Å; R290-D391 IonicContact NH2-OD1 3.8Å; R290-D391 PolarHBondContact NH2-OD1 3.34Å |
| 291 | Y | 97.7 | Very high | 96.2 | Very high | 30 Ų | 30 | 33.5 Ų | 33.5 | 12% | 0.118 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -132.9 | 0.4 | -174.1 | -58.9 | -97.1 | 0 | 0 | 0 | 113.8 | E327 P329 W332 V358 Y373 D391 R392 | Y291-E327 WeakPolarHBondContact CA-OE2 2.97Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.3Å; Y291-E327 PolarHBondContact N-OE2 3.11Å; Y291-P329 WeakPolarHBondContact O-CG 3.47Å; Y291-W332 VanDerWaalsContact C-CH2 3.45Å; Y291-V358 HydrophobicContact CD1-CG1 3.78Å; Y291-V358 HydrophobicContact CG-CG1 4.48Å; Y291-Y373 AromaticContact CD1-CD1 3.44Å; Y291-Y373 HydrophobicContact CD1-CD1 3.44Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.44Å; Y291-Y373 HydrophobicContact CD1-CD2 4.15Å; Y291-Y373 AromaticContact CD1-CE1 3.68Å; Y291-Y373 HydrophobicContact CD1-CE1 3.68Å; Y291-Y373 HydrophobicContact CD1-CE2 4.35Å; Y291-Y373 AromaticContact CD1-CG 3.71Å; Y291-Y373 HydrophobicContact CD1-CG 3.71Å; Y291-Y373 AromaticContact CE1-CD1 3.87Å; Y291-Y373 HydrophobicContact CE1-CD1 3.87Å; Y291-Y373 AromaticContact CE1-CE1 3.99Å; Y291-Y373 HydrophobicContact CE1-CE1 3.99Å; Y291-Y373 AromaticContact CG-CD1 3.99Å; Y291-Y373 HydrophobicContact CG-CD1 3.99Å; Y291-Y373 HydrophobicContact CG-CD2 4.32Å; Y291-Y373 AromaticContact CG-CG 3.84Å; Y291-Y373 HydrophobicContact CG-CG 3.84Å; Y291-D391 WeakPolarHBondContact OH-CA 3.26Å; Y291-D391 PolarHBondContact OH-OD1 2.71Å; Y291-R392 HydrophobicContact CD2-CB 3.96Å; Y291-R392 HydrophobicContact CD2-CG 4.09Å; Y291-R392 HydrophobicContact CE2-CB 3.71Å; Y291-R392 HydrophobicContact CE2-CG 3.9Å; Y291-R392 HydrophobicContact CG-CB 4.47Å; Y291-R392 PolarHBondContact OH-N 3.01Å; Y291-R392 VanDerWaalsContact OH-N 3.11Å |
| 292 | G | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 157.1 | -150.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G289 W328 | G289-G292 PolarHBondContact N-O 2.93Å; G292-W328 WeakPolarHBondContact CA-O 3.44Å |
| 293 | C | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.9 | 165.9 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | A257 L287 W328 F331 | A257-C293 HydrophobicContact CB-CB 4.22Å; L287-C293 HydrophobicContact CB-CB 4.28Å; L287-C293 CarbonylContact O-C 3.18Å; L287-C293 WeakPolarHBondContact O-CA 3.33Å; L287-C293 WeakPolarHBondContact O-CB 3.38Å; C293-W328 PolarHBondContact N-O 2.9Å; C293-W328 WeakPolarHBondContact O-CB 3.44Å; C293-W328 PolarHBondContact O-N 3.04Å; C293-F331 HydrophobicContact CB-CB 3.87Å; C293-F331 HydrophobicContact CB-CD2 3.63Å; C293-F331 HydrophobicContact CB-CE2 4.49Å; C293-F331 HydrophobicContact CB-CG 4.01Å; C293-F331 WeakPolarHBondContact O-CD2 3.39Å |
| 294 | C | 97.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 31 Ų | 31 | 7% | 0.068 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 151.7 | 164.4 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | A257 L287 E325 C326 | A257-C294 WeakPolarHBondContact CB-O 3.28Å; L287-C294 HydrophobicContact CD2-CB 4.43Å; L287-C294 PolarHBondContact O-N 3.37Å; C294-E325 HydrophobicContact CB-CB 4.05Å; C294-C326 WeakPolarHBondContact CA-O 3.47Å |
| 295 | R | 96.9 | Very high | 95.4 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 3% | 0.034 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -67.4 | -48.8 | -179 | -60.8 | -170.6 | -61.2 | 167 | 12.9 | 111.6 | W184 D256 A257 D299 W328 F331 | W184-R295 HydrophobicContact CH2-CG 4.07Å; W184-R295 HydrophobicContact CZ2-CB 4Å; W184-R295 HydrophobicContact CZ2-CG 3.88Å; W184-R295 HydrophobicContact CZ3-CG 4.45Å; D256-R295 CarbonylContact C-O 3.58Å; D256-R295 VanDerWaalsContact CA-O 3.29Å; D256-R295 WeakPolarHBondContact CA-O 3.44Å; D256-R295 VanDerWaalsContact CG-O 3.31Å; A257-R295 PolarHBondContact N-O 3.34Å; R295-D299 IonicContact CZ-OD1 2.9Å; R295-D299 IonicContact CZ-OD2 3.95Å; R295-D299 IonicContact NE-OD2 2.86Å; R295-D299 PolarHBondContact NE-OD2 3.23Å; R295-D299 IonicContact NH2-OD1 2.75Å; R295-D299 PolarHBondContact NH2-OD1 3.34Å; R295-D299 IonicContact NH2-OD2 2.83Å; R295-D299 PolarHBondContact NH2-OD2 2.94Å; R295-W328 HydrophobicContact CG-CD2 4.28Å; R295-W328 HydrophobicContact CG-CG 4.27Å; R295-W328 HydrophobicContact CG-CZ2 4.39Å; R295-F331 HydrophobicContact CG-CE2 4.33Å; R295-F331 HydrophobicContact CG-CZ 4.42Å |
| 296 | F | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -158 | 166.1 | 171.8 | 51.9 | -91.9 | 0 | 0 | 0 | 109.2 | W184 K189 K253 V255 D256 D299 | W184-F296 AromaticContact CD1-CD1 3.84Å; W184-F296 AromaticContact CD1-CE1 3.7Å; W184-F296 HydrophobicContact CG-CE1 4.3Å; K189-F296 HydrophobicContact CG-CD2 4.49Å; K189-F296 HydrophobicContact CG-CE2 4.14Å; K253-F296 HydrophobicContact CD-CB 4.44Å; K253-F296 HydrophobicContact CD-CD1 4.09Å; K253-F296 HydrophobicContact CD-CD2 4.48Å; K253-F296 HydrophobicContact CD-CE1 4.49Å; K253-F296 HydrophobicContact CD-CG 4.09Å; V255-F296 WeakPolarHBondContact O-CB 3.46Å; D256-F296 HydrophobicContact CB-CB 4.37Å; D256-F296 VanDerWaalsContact OD2-CD1 3.31Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.47Å; F296-D299 HydrophobicContact CD1-CB 4.45Å; F296-D299 HydrophobicContact CD2-CB 3.88Å; F296-D299 HydrophobicContact CE1-CB 4.25Å; F296-D299 HydrophobicContact CE2-CB 3.65Å; F296-D299 HydrophobicContact CG-CB 4.28Å; F296-D299 HydrophobicContact CZ-CB 3.85Å; F296-D299 WeakPolarHBondContact CZ-OD1 3.47Å; F296-D299 WeakPolarHBondContact O-CB 3.42Å; F296-D299 PolarHBondContact O-N 2.73Å |
| 297 | L | 94.7 | Very high | 94.8 | Very high | 42 Ų | 42 | 29.6 Ų | 29.6 | 22% | 0.22 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 136.3 | -179.6 | -64.5 | 176.1 | 0 | 0 | 0 | 112 | K189 E254 K286 L287 D299 | K189-L297 WeakPolarHBondContact CE-O 3.35Å; K189-L297 PolarHBondContact NZ-O 3.26Å; E254-L297 HydrophobicContact CG-CD1 4.02Å; K286-L297 WeakPolarHBondContact O-CD2 3.3Å; L287-L297 HydrophobicContact CD2-CD2 3.91Å; L287-L297 HydrophobicContact CD2-CG 4.01Å; L297-D299 VanDerWaalsContact C-N 3.33Å |
| 298 | R | 93.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 33.6 | -174.9 | -60 | -178.8 | -176.5 | 165.9 | 4.6 | 114.5 | G300 L318 E322 E325 T1056 R1057 M1059 | R298-G300 PolarHBondContact O-N 3.31Å; R298-L318 HydrophobicContact CB-CB 4.44Å; R298-L318 VanDerWaalsContact CB-O 3.29Å; R298-L318 WeakPolarHBondContact CB-O 3.37Å; R298-L318 WeakPolarHBondContact CD-O 3.4Å; R298-L318 WeakPolarHBondContact CG-O 3.42Å; R298-L318 WeakPolarHBondContact O-CD2 3.31Å; R298-E322 HydrophobicContact CG-CB 4.02Å; R298-E322 HydrophobicContact CG-CG 4.22Å; R298-E322 IonicContact CZ-OE1 2.7Å; R298-E322 IonicContact NE-OE1 3.62Å; R298-E322 PolarHBondContact NE-OE1 3.49Å; R298-E322 IonicContact NH2-OE1 2.81Å; R298-E322 PolarHBondContact NH2-OE1 2.62Å; R298-E325 WeakPolarHBondContact CA-OE1 3.42Å; R298-E325 PolarHBondContact N-OE1 3.04Å; R298-T1056 PolarHBondContact NH1-O 2.81Å; R298-T1056 PolarHBondContact NH2-O 2.94Å; R298-T1056 VanDerWaalsContact NH2-O 3.13Å; R298-R1057 PolarHBondContact NH1-O 3.35Å; R298-M1059 VanDerWaalsContact NH1-C 3.34Å; R298-M1059 PolarHBondContact NH1-O 3.18Å |
| 299 | D | 93.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -78 | 115 | 171.5 | -179.1 | 29.5 | 0 | 0 | 0 | 111.6 | R186 R295 F296 L297 Y301 T303 E325 | R186-D299 IonicContact CZ-OD1 2.75Å; R186-D299 IonicContact NH1-OD1 2.8Å; R186-D299 PolarHBondContact NH1-OD1 2.77Å; R295-D299 IonicContact CZ-OD1 2.9Å; R295-D299 IonicContact CZ-OD2 3.95Å; R295-D299 IonicContact NE-OD2 2.86Å; R295-D299 PolarHBondContact NE-OD2 3.23Å; R295-D299 IonicContact NH2-OD1 2.75Å; R295-D299 PolarHBondContact NH2-OD1 3.34Å; R295-D299 IonicContact NH2-OD2 2.83Å; R295-D299 PolarHBondContact NH2-OD2 2.94Å; F296-D299 HydrophobicContact CD1-CB 4.45Å; F296-D299 HydrophobicContact CD2-CB 3.88Å; F296-D299 HydrophobicContact CE1-CB 4.25Å; F296-D299 HydrophobicContact CE2-CB 3.65Å; F296-D299 HydrophobicContact CG-CB 4.28Å; F296-D299 HydrophobicContact CZ-CB 3.85Å; F296-D299 WeakPolarHBondContact CZ-OD1 3.47Å; F296-D299 WeakPolarHBondContact O-CB 3.42Å; F296-D299 PolarHBondContact O-N 2.73Å; L297-D299 VanDerWaalsContact C-N 3.33Å; D299-Y301 VanDerWaalsContact C-N 3.35Å; D299-Y301 PolarHBondContact O-N 2.82Å; D299-Y301 PolarHBondContact OD1-N 2.73Å; D299-T303 WeakPolarHBondContact O-CG2 3.35Å; D299-E325 HydrophobicContact CB-CG 4.47Å | ||
| 300 | G | 92.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -78.3 | -9.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | R298 K302 T303 E306 Y313 | R298-G300 PolarHBondContact O-N 3.31Å; G300-K302 PolarHBondContact O-N 2.97Å; G300-T303 WeakPolarHBondContact O-CB 3.5Å; G300-T303 VanDerWaalsContact O-CG2 3.32Å; G300-T303 WeakPolarHBondContact O-CG2 3.11Å; G300-T303 PolarHBondContact O-N 2.97Å; G300-T303 PolarHBondContact O-OG1 3.08Å; G300-E306 WeakPolarHBondContact O-CB 3.39Å; G300-Y313 VanDerWaalsContact CA-OH 3.27Å; G300-Y313 WeakPolarHBondContact CA-OH 3.38Å | ||
| 301 | Y | 93.6 | Very high | 92.2 | Very high | 52 Ų | 52 | 42 Ų | 42 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 120 | -168 | -176.7 | -105.4 | 0 | 0 | 0 | 114 | D299 T303 E306 Y313 C326 W328 E371 L372 | D299-Y301 VanDerWaalsContact C-N 3.35Å; D299-Y301 PolarHBondContact O-N 2.82Å; D299-Y301 PolarHBondContact OD1-N 2.73Å; Y301-T303 PolarHBondContact O-N 3.36Å; Y301-E306 WeakPolarHBondContact CA-OE1 3.43Å; Y301-Y313 PolarHBondContact N-OH 3.37Å; Y301-C326 PolarHBondContact O-SG 3.19Å; Y301-W328 AromaticContact CD1-CZ2 3.82Å; Y301-W328 HydrophobicContact CD1-CZ2 3.82Å; Y301-W328 HydrophobicContact CE1-CH2 4.2Å; Y301-W328 AromaticContact CE1-CZ2 3.78Å; Y301-W328 HydrophobicContact CE1-CZ2 3.78Å; Y301-E371 PolarHBondContact OH-OE1 3.36Å; Y301-L372 HydrophobicContact CD1-CD2 3.91Å; Y301-L372 HydrophobicContact CE1-CD2 4.05Å |
| 302 | K | 93.5 | Very high | 91.6 | Very high | 55 Ų | 55 | 45.9 Ų | 45.9 | 24% | 0.239 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 19 | -175.7 | -66.3 | 172.9 | 176.3 | 153.3 | 0 | 114.1 | G300 E306 C326 E371 L372 S374 | G300-K302 PolarHBondContact O-N 2.97Å; K302-E306 PolarHBondContact N-OE2 2.96Å; K302-C326 PolarHBondContact O-SG 2.78Å; K302-C326 VanDerWaalsContact O-SG 3.33Å; K302-E371 IonicContact NZ-OE1 3.05Å; K302-E371 PolarHBondContact NZ-OE1 3.42Å; K302-E371 IonicContact NZ-OE2 3.53Å; K302-E371 PolarHBondContact NZ-OE2 3.25Å; K302-L372 HydrophobicContact CB-CD1 4.32Å; K302-L372 HydrophobicContact CB-CD2 4.09Å; K302-L372 HydrophobicContact CD-CD1 4.5Å; K302-L372 HydrophobicContact CD-CD2 4.02Å; K302-S374 PolarHBondContact O-OG 3.01Å |
| 303 | T | 94.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | trans | -72.5 | 153.2 | 168.6 | 67.9 | 0 | 0 | 0 | 0 | 110.2 | D299 G300 Y301 K305 E306 F321 I324 | D299-T303 WeakPolarHBondContact O-CG2 3.35Å; G300-T303 WeakPolarHBondContact O-CB 3.5Å; G300-T303 VanDerWaalsContact O-CG2 3.32Å; G300-T303 WeakPolarHBondContact O-CG2 3.11Å; G300-T303 PolarHBondContact O-N 2.97Å; G300-T303 PolarHBondContact O-OG1 3.08Å; Y301-T303 PolarHBondContact O-N 3.36Å; T303-K305 PolarHBondContact O-N 3.16Å; T303-E306 PolarHBondContact O-N 3.32Å; T303-E306 VanDerWaalsContact O-N 3.14Å; T303-F321 WeakPolarHBondContact OG1-CD1 3.42Å; T303-I324 WeakPolarHBondContact CG2-O 3.37Å | ||
| 304 | P | 93.8 | Very high | 90.1 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 25% | 0.247 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -4.9 | -178.9 | -25.4 | 37 | 0 | 0 | 0 | 116.2 | V375 P377 V380 | P304-V375 HydrophobicContact CG-CB 4.28Å; P304-V375 WeakPolarHBondContact CG-O 3.44Å; P304-P377 HydrophobicContact CB-CB 4.13Å; P304-P377 HydrophobicContact CB-CG 4.17Å; P304-P377 HydrophobicContact CG-CG 4.44Å; P304-V380 HydrophobicContact CB-CG2 3.62Å; P304-V380 HydrophobicContact CG-CG2 3.82Å |
| 305 | K | 92.7 | Very high | 88.8 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -3.2 | 178.3 | -59.7 | -67.8 | -176.9 | 176.7 | 0 | 112.8 | T303 F321 I324 V380 | T303-K305 PolarHBondContact O-N 3.16Å; K305-F321 HydrophobicContact CB-CD1 4.35Å; K305-F321 HydrophobicContact CB-CE1 4.22Å; K305-I324 HydrophobicContact CB-CD1 4.19Å; K305-I324 HydrophobicContact CG-CD1 3.65Å; K305-V380 HydrophobicContact CG-CG1 4.44Å |
| 306 | E | 92 | Very high | 87.7 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 17% | 0.173 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -73.5 | 137.9 | 173.5 | -177.7 | 172.8 | -117.3 | 0 | 0 | 110.6 | R186 G300 Y301 K302 T303 P308 Y313 F321 | R186-E306 IonicContact NH2-OE1 2.96Å; R186-E306 PolarHBondContact NH2-OE1 3.26Å; G300-E306 WeakPolarHBondContact O-CB 3.39Å; Y301-E306 WeakPolarHBondContact CA-OE1 3.43Å; K302-E306 PolarHBondContact N-OE2 2.96Å; T303-E306 PolarHBondContact O-N 3.32Å; T303-E306 VanDerWaalsContact O-N 3.14Å; E306-P308 VanDerWaalsContact O-CD 3.29Å; E306-P308 WeakPolarHBondContact O-CD 3.46Å; E306-Y313 HydrophobicContact CG-CE1 4.08Å; E306-Y313 VanDerWaalsContact OE1-CE1 3.31Å; E306-Y313 WeakPolarHBondContact OE1-CE1 3.47Å; E306-Y313 PolarHBondContact OE1-OH 2.74Å; E306-F321 HydrophobicContact CB-CE1 4.43Å |
| 307 | D | 88.2 | Confident | 87.2 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | trans | -83.4 | 108.8 | 164.8 | -177.8 | -3.2 | 0 | 0 | 0 | 109.1 | N309 R310 | D307-N309 PolarHBondContact O-N 3.21Å; D307-N309 VanDerWaalsContact O-N 3.1Å; D307-N309 WeakPolarHBondContact OD1-CB 3.41Å; D307-N309 PolarHBondContact OD1-N 2.77Å; D307-N309 PolarHBondContact OD1-ND2 3.12Å; D307-R310 PolarHBondContact O-N 3.09Å | ||
| 308 | P | 85.1 | Confident | 86.9 | Confident | 111 Ų | 111 | 54.6 Ų | 54.6 | 72% | 0.721 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -7.3 | -177.7 | 31.5 | -37.4 | 0 | 0 | 0 | 113.4 | E306 | E306-P308 VanDerWaalsContact O-CD 3.29Å; E306-P308 WeakPolarHBondContact O-CD 3.46Å |
| 309 | N | 86.4 | Confident | 86.7 | Confident | 148 Ų | 148 | 57.5 Ų | 57.5 | 79% | 0.791 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -10 | -178.9 | -50.9 | -81.5 | 0 | 0 | 0 | 113.2 | D307 | D307-N309 PolarHBondContact O-N 3.21Å; D307-N309 VanDerWaalsContact O-N 3.1Å; D307-N309 WeakPolarHBondContact OD1-CB 3.41Å; D307-N309 PolarHBondContact OD1-N 2.77Å; D307-N309 PolarHBondContact OD1-ND2 3.12Å |
| 310 | R | 84.1 | Confident | 86.5 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 31% | 0.306 | 31% | 0.313 | S | S | . | . | trans | -115.5 | 129.5 | -178.9 | -164.1 | 177.4 | 60.7 | -142.5 | -27.8 | 110.7 | D307 Y312 E314 E317 | D307-R310 PolarHBondContact O-N 3.09Å; R310-Y312 WeakPolarHBondContact CD-O 3.35Å; R310-Y312 WeakPolarHBondContact CG-O 3.28Å; R310-Y312 PolarHBondContact NE-O 3.28Å; R310-E314 IonicContact CZ-OE1 2.73Å; R310-E314 IonicContact NE-OE1 3.14Å; R310-E314 VanDerWaalsContact NH1-CG 3.3Å; R310-E314 IonicContact NH1-OE1 2.77Å; R310-E314 PolarHBondContact NH1-OE1 3.23Å; R310-E317 IonicContact CZ-OE1 3.39Å; R310-E317 IonicContact CZ-OE2 3.67Å; R310-E317 IonicContact NH1-OE1 3.91Å; R310-E317 IonicContact NH2-OE1 2.71Å; R310-E317 PolarHBondContact NH2-OE1 3.36Å; R310-E317 IonicContact NH2-OE2 3.97Å; R310-E317 PolarHBondContact NH2-OE2 3.08Å | ||
| 311 | L | 75.3 | Confident | 86.6 | Confident | 106 Ų | 106 | 61.5 Ų | 61.5 | 56% | 0.555 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -70.3 | -32.1 | -179.1 | -177.5 | 61.9 | 0 | 0 | 0 | 113 | N191 | N191-L311 PolarHBondContact ND2-O 2.72Š|
| 312 | Y | 83.3 | Confident | 86.5 | Confident | 110 Ų | 110 | 61.3 Ų | 61.3 | 43% | 0.431 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -113.6 | 157 | -172.8 | -55.9 | -36.6 | 0 | 0 | 0 | 111.8 | N191 R310 | N191-Y312 WeakPolarHBondContact O-CA 3.05Å; N191-Y312 WeakPolarHBondContact O-CB 3.5Å; N191-Y312 WeakPolarHBondContact O-CD1 3.39Å; R310-Y312 WeakPolarHBondContact CD-O 3.35Å; R310-Y312 WeakPolarHBondContact CG-O 3.28Å; R310-Y312 PolarHBondContact NE-O 3.28Å |
| 313 | Y | 83.7 | Confident | 86.5 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | trans | -97.5 | 149.2 | 179.3 | -58.6 | -36.4 | 0 | 0 | 0 | 113 | R186 N191 Q192 G300 Y301 E306 E317 L318 F321 | R186-Y313 VanDerWaalsContact CZ-OH 3.26Å; R186-Y313 PolarHBondContact NH1-OH 3.48Å; R186-Y313 PolarHBondContact NH2-OH 3.21Å; N191-Y313 HydrophobicContact CB-CD2 4.12Å; N191-Y313 HydrophobicContact CB-CE2 4.35Å; Q192-Y313 PolarHBondContact NE2-O 2.99Å; G300-Y313 VanDerWaalsContact CA-OH 3.27Å; G300-Y313 WeakPolarHBondContact CA-OH 3.38Å; Y301-Y313 PolarHBondContact N-OH 3.37Å; E306-Y313 HydrophobicContact CG-CE1 4.08Å; E306-Y313 VanDerWaalsContact OE1-CE1 3.31Å; E306-Y313 WeakPolarHBondContact OE1-CE1 3.47Å; E306-Y313 PolarHBondContact OE1-OH 2.74Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.29Å; Y313-L318 HydrophobicContact CD2-CD2 4.22Å; Y313-F321 HydrophobicContact CD1-CE2 4.24Å; Y313-F321 HydrophobicContact CD1-CZ 4.26Å; Y313-F321 HydrophobicContact CD2-CE2 4Å; Y313-F321 HydrophobicContact CE1-CE2 4.18Å; Y313-F321 HydrophobicContact CE1-CZ 4.13Å; Y313-F321 AromaticContact CE2-CE2 3.9Å; Y313-F321 HydrophobicContact CE2-CE2 3.9Å; Y313-F321 HydrophobicContact CG-CE2 4.15Å; Y313-F321 AromaticContact CZ-CE2 3.96Å | ||
| 314 | E | 81.8 | Confident | 86.6 | Confident | 96 Ų | 96 | 60.8 Ų | 60.8 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | trans | -72.7 | 143 | 162.6 | -57.6 | -58.6 | 149.7 | 0 | 0 | 109.3 | R310 A316 E317 | R310-E314 IonicContact CZ-OE1 2.73Å; R310-E314 IonicContact NE-OE1 3.14Å; R310-E314 VanDerWaalsContact NH1-CG 3.3Å; R310-E314 IonicContact NH1-OE1 2.77Å; R310-E314 PolarHBondContact NH1-OE1 3.23Å; E314-A316 PolarHBondContact O-N 3.42Å; E314-E317 HydrophobicContact CB-CG 3.99Å; E314-E317 PolarHBondContact N-OE2 3.04Å; E314-E317 WeakPolarHBondContact O-CB 3.3Å; E314-E317 PolarHBondContact O-N 3.23Å | ||
| 315 | P | 69.6 | Low | 86.7 | Confident | 48 Ų | 48 | 59.6 Ų | 59.6 | 31% | 0.312 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -34.4 | -177.2 | -27.8 | 34.4 | 0 | 0 | 0 | 114.4 | E317 E1058 | P315-E317 PolarHBondContact O-N 3.11Å; P315-E1058 HydrophobicContact CB-CG 3.7Å; P315-E1058 VanDerWaalsContact O-CG 3.23Å; P315-E1058 WeakPolarHBondContact O-CG 3.4Å |
| 316 | A | 74.1 | Confident | 87 | Confident | 54 Ų | 54 | 55.4 Ų | 55.4 | 45% | 0.446 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -16.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E314 | E314-A316 PolarHBondContact O-N 3.42Š|
| 317 | E | 84.1 | Confident | 87.3 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -72.8 | -29 | -175.2 | -74 | 170.7 | 164.3 | 0 | 0 | 113 | R310 Y313 E314 P315 K319 L320 F321 | R310-E317 IonicContact CZ-OE1 3.39Å; R310-E317 IonicContact CZ-OE2 3.67Å; R310-E317 IonicContact NH1-OE1 3.91Å; R310-E317 IonicContact NH2-OE1 2.71Å; R310-E317 PolarHBondContact NH2-OE1 3.36Å; R310-E317 IonicContact NH2-OE2 3.97Å; R310-E317 PolarHBondContact NH2-OE2 3.08Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.29Å; E314-E317 HydrophobicContact CB-CG 3.99Å; E314-E317 PolarHBondContact N-OE2 3.04Å; E314-E317 WeakPolarHBondContact O-CB 3.3Å; E314-E317 PolarHBondContact O-N 3.23Å; P315-E317 PolarHBondContact O-N 3.11Å; E317-K319 PolarHBondContact O-N 2.91Å; E317-K319 VanDerWaalsContact O-N 3.11Å; E317-L320 HydrophobicContact CG-CD1 4.39Å; E317-L320 WeakPolarHBondContact O-CA 3.42Å; E317-L320 VanDerWaalsContact O-CB 3.25Å; E317-L320 WeakPolarHBondContact O-CB 3.43Å; E317-L320 PolarHBondContact O-N 2.75Å; E317-F321 HydrophobicContact CB-CE2 4.02Å; E317-F321 HydrophobicContact CB-CZ 3.85Å; E317-F321 WeakPolarHBondContact O-CD2 3.47Å; E317-F321 PolarHBondContact O-N 3.32Å |
| 318 | L | 88.1 | Confident | 87.7 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -52.5 | -38.2 | 178.6 | -70.8 | 168.1 | 0 | 0 | 0 | 112.3 | K189 T190 R298 Y313 L320 F321 E1058 | K189-L318 HydrophobicContact CG-CD2 4.16Å; T190-L318 HydrophobicContact CG2-CD1 4.01Å; R298-L318 HydrophobicContact CB-CB 4.44Å; R298-L318 VanDerWaalsContact CB-O 3.29Å; R298-L318 WeakPolarHBondContact CB-O 3.37Å; R298-L318 WeakPolarHBondContact CD-O 3.4Å; R298-L318 WeakPolarHBondContact CG-O 3.42Å; R298-L318 WeakPolarHBondContact O-CD2 3.31Å; Y313-L318 HydrophobicContact CD2-CD2 4.22Å; L318-L320 VanDerWaalsContact C-N 3.28Å; L318-L320 PolarHBondContact O-N 3.3Å; L318-F321 HydrophobicContact CD2-CD2 4.38Å; L318-F321 PolarHBondContact O-N 3.33Å; L318-E1058 WeakPolarHBondContact CD1-O 3.19Å |
| 319 | K | 89.1 | Confident | 88.4 | Confident | 63 Ų | 63 | 45.7 Ų | 45.7 | 27% | 0.274 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -68.7 | -25.3 | 177.2 | -170.7 | 57.6 | -179.8 | -179.8 | 0 | 113.5 | E317 F321 E322 R1057 | E317-K319 PolarHBondContact O-N 2.91Å; E317-K319 VanDerWaalsContact O-N 3.11Å; K319-F321 VanDerWaalsContact C-N 3.32Å; K319-E322 WeakPolarHBondContact CE-OE2 3.4Å; K319-E322 IonicContact NZ-OE1 3.69Å; K319-E322 PolarHBondContact NZ-OE1 3.07Å; K319-E322 IonicContact NZ-OE2 3.92Å; K319-E322 PolarHBondContact NZ-OE2 3.37Å; K319-E322 WeakPolarHBondContact O-CB 3.35Å; K319-R1057 HydrophobicContact CB-CB 3.81Å; K319-R1057 HydrophobicContact CB-CG 4.35Å; K319-R1057 HydrophobicContact CG-CB 4.28Å; K319-R1057 HydrophobicContact CG-CG 4.35Å; K319-R1057 PolarHBondContact N-O 3.19Å |
| 320 | L | 91.1 | Very high | 88.9 | Confident | 84 Ų | 84 | 38.7 Ų | 38.7 | 44% | 0.44 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -73.9 | -25.9 | 176.6 | -52.8 | 178.1 | 0 | 0 | 0 | 111.8 | E317 L318 E322 I324 Y384 | E317-L320 HydrophobicContact CG-CD1 4.39Å; E317-L320 WeakPolarHBondContact O-CA 3.42Å; E317-L320 VanDerWaalsContact O-CB 3.25Å; E317-L320 WeakPolarHBondContact O-CB 3.43Å; E317-L320 PolarHBondContact O-N 2.75Å; L318-L320 VanDerWaalsContact C-N 3.28Å; L318-L320 PolarHBondContact O-N 3.3Å; L320-E322 VanDerWaalsContact C-N 3.31Å; L320-I324 VanDerWaalsContact O-CD1 3.29Å; L320-I324 WeakPolarHBondContact O-CD1 3.48Å; L320-I324 WeakPolarHBondContact O-CG1 3.46Å; L320-Y384 WeakPolarHBondContact O-CE1 3.47Å; L320-Y384 PolarHBondContact O-OH 3.23Å |
| 321 | F | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -80.1 | -13.4 | 178.6 | -49.8 | -42 | 0 | 0 | 0 | 113.3 | T303 K305 E306 Y313 E317 L318 K319 N323 I324 E325 | T303-F321 WeakPolarHBondContact OG1-CD1 3.42Å; K305-F321 HydrophobicContact CB-CD1 4.35Å; K305-F321 HydrophobicContact CB-CE1 4.22Å; E306-F321 HydrophobicContact CB-CE1 4.43Å; Y313-F321 HydrophobicContact CD1-CE2 4.24Å; Y313-F321 HydrophobicContact CD1-CZ 4.26Å; Y313-F321 HydrophobicContact CD2-CE2 4Å; Y313-F321 HydrophobicContact CE1-CE2 4.18Å; Y313-F321 HydrophobicContact CE1-CZ 4.13Å; Y313-F321 AromaticContact CE2-CE2 3.9Å; Y313-F321 HydrophobicContact CE2-CE2 3.9Å; Y313-F321 HydrophobicContact CG-CE2 4.15Å; Y313-F321 AromaticContact CZ-CE2 3.96Å; E317-F321 HydrophobicContact CB-CE2 4.02Å; E317-F321 HydrophobicContact CB-CZ 3.85Å; E317-F321 WeakPolarHBondContact O-CD2 3.47Å; E317-F321 PolarHBondContact O-N 3.32Å; L318-F321 HydrophobicContact CD2-CD2 4.38Å; L318-F321 PolarHBondContact O-N 3.33Å; K319-F321 VanDerWaalsContact C-N 3.32Å; F321-N323 PolarHBondContact O-N 3.3Å; F321-I324 VanDerWaalsContact O-CG1 3.31Å; F321-I324 WeakPolarHBondContact O-CG1 3.47Å; F321-I324 PolarHBondContact O-N 3.15Å; F321-I324 VanDerWaalsContact O-N 3.14Å; F321-E325 WeakPolarHBondContact O-CG 3.45Å; F321-E325 PolarHBondContact O-N 3.44Å |
| 322 | E | 92.6 | Very high | 90.7 | Very high | 49 Ų | 49 | 30.4 Ų | 30.4 | 23% | 0.229 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 127.3 | -178.1 | -161.7 | -177.6 | -93.9 | 0 | 0 | 112.2 | R298 K319 L320 I324 | R298-E322 HydrophobicContact CG-CB 4.02Å; R298-E322 HydrophobicContact CG-CG 4.22Å; R298-E322 IonicContact CZ-OE1 2.7Å; R298-E322 IonicContact NE-OE1 3.62Å; R298-E322 PolarHBondContact NE-OE1 3.49Å; R298-E322 IonicContact NH2-OE1 2.81Å; R298-E322 PolarHBondContact NH2-OE1 2.62Å; K319-E322 WeakPolarHBondContact CE-OE2 3.4Å; K319-E322 IonicContact NZ-OE1 3.69Å; K319-E322 PolarHBondContact NZ-OE1 3.07Å; K319-E322 IonicContact NZ-OE2 3.92Å; K319-E322 PolarHBondContact NZ-OE2 3.37Å; K319-E322 WeakPolarHBondContact O-CB 3.35Å; L320-E322 VanDerWaalsContact C-N 3.31Å; E322-I324 PolarHBondContact O-N 3.1Å |
| 323 | N | 94.1 | Very high | 91.4 | Very high | 50 Ų | 50 | 25.2 Ų | 25.2 | 27% | 0.267 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | -0.8 | -175 | -42.2 | -69.3 | 0 | 0 | 0 | 115.6 | F321 E325 P387 | F321-N323 PolarHBondContact O-N 3.3Å; N323-E325 WeakPolarHBondContact CA-OE2 3.33Å; N323-E325 PolarHBondContact N-OE2 3.02Å; N323-P387 HydrophobicContact CB-CB 4.04Å; N323-P387 HydrophobicContact CB-CG 4.12Å |
| 324 | I | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 5.5 | 177.3 | 67.9 | 162.8 | 0 | 0 | 0 | 112.8 | T303 K305 L320 F321 E322 V375 V380 E383 Y384 | T303-I324 WeakPolarHBondContact CG2-O 3.37Å; K305-I324 HydrophobicContact CB-CD1 4.19Å; K305-I324 HydrophobicContact CG-CD1 3.65Å; L320-I324 VanDerWaalsContact O-CD1 3.29Å; L320-I324 WeakPolarHBondContact O-CD1 3.48Å; L320-I324 WeakPolarHBondContact O-CG1 3.46Å; F321-I324 VanDerWaalsContact O-CG1 3.31Å; F321-I324 WeakPolarHBondContact O-CG1 3.47Å; F321-I324 PolarHBondContact O-N 3.15Å; F321-I324 VanDerWaalsContact O-N 3.14Å; E322-I324 PolarHBondContact O-N 3.1Å; I324-V375 HydrophobicContact CB-CG2 4.26Å; I324-V380 HydrophobicContact CD1-CG1 4.15Å; I324-V380 HydrophobicContact CG2-CG1 4.2Å; I324-E383 HydrophobicContact CG2-CB 4.36Å; I324-E383 HydrophobicContact CG2-CG 4.03Å; I324-Y384 HydrophobicContact CD1-CE1 4.28Å; I324-Y384 HydrophobicContact CG1-CE1 4.29Å; I324-Y384 HydrophobicContact CG2-CD1 3.9Å; I324-Y384 HydrophobicContact CG2-CE1 3.62Å |
| 325 | E | 96.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 20.7 Ų | 20.7 | 6% | 0.056 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -52.8 | 142.8 | 178.3 | -58.4 | 92 | 154.7 | 0 | 0 | 110.7 | C294 R298 D299 F321 N323 R392 | C294-E325 HydrophobicContact CB-CB 4.05Å; R298-E325 WeakPolarHBondContact CA-OE1 3.42Å; R298-E325 PolarHBondContact N-OE1 3.04Å; D299-E325 HydrophobicContact CB-CG 4.47Å; F321-E325 WeakPolarHBondContact O-CG 3.45Å; F321-E325 PolarHBondContact O-N 3.44Å; N323-E325 WeakPolarHBondContact CA-OE2 3.33Å; N323-E325 PolarHBondContact N-OE2 3.02Å; E325-R392 VanDerWaalsContact O-CZ 3.28Å; E325-R392 PolarHBondContact O-NH1 3.36Å; E325-R392 PolarHBondContact O-NH2 3.27Å; E325-R392 VanDerWaalsContact O-NH2 3.09Å |
| 326 | C | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 137.5 | -178.9 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | C294 Y301 K302 L372 Y373 S374 | C294-C326 WeakPolarHBondContact CA-O 3.47Å; Y301-C326 PolarHBondContact O-SG 3.19Å; K302-C326 PolarHBondContact O-SG 2.78Å; K302-C326 VanDerWaalsContact O-SG 3.33Å; C326-L372 HydrophobicContact CB-CB 4.2Å; C326-L372 HydrophobicContact CB-CD1 4.05Å; C326-L372 HydrophobicContact CB-CD2 3.7Å; C326-L372 HydrophobicContact CB-CG 4.21Å; C326-Y373 WeakPolarHBondContact CA-O 3.33Å; C326-S374 PolarHBondContact SG-OG 3.32Å; C326-S374 VanDerWaalsContact SG-OG 3.32Å |
| 327 | E | 98 | Very high | 95.4 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 130.3 | -179.4 | -66.2 | 176.7 | -152.8 | 0 | 0 | 110.4 | G289 R290 Y291 L372 Y373 R392 | G289-E327 VanDerWaalsContact C-OE2 3.3Å; G289-E327 WeakPolarHBondContact CA-OE2 3.44Å; R290-E327 PolarHBondContact N-OE2 3.47Å; Y291-E327 WeakPolarHBondContact CA-OE2 2.97Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.3Å; Y291-E327 PolarHBondContact N-OE2 3.11Å; E327-L372 CarbonylContact O-C 3.57Å; E327-L372 VanDerWaalsContact O-CA 3.3Å; E327-L372 WeakPolarHBondContact O-CA 3.46Å; E327-L372 WeakPolarHBondContact O-CB 3.24Å; E327-Y373 PolarHBondContact N-O 2.99Å; E327-Y373 PolarHBondContact O-N 3.19Å; E327-R392 VanDerWaalsContact CD-NE 3.34Å; E327-R392 IonicContact OE1-CZ 2.83Å; E327-R392 VanDerWaalsContact OE1-CZ 3.29Å; E327-R392 IonicContact OE1-NE 3.31Å; E327-R392 PolarHBondContact OE1-NE 3.14Å; E327-R392 IonicContact OE1-NH2 3.9Å; E327-R392 PolarHBondContact OE1-NH2 3.37Å |
| 328 | W | 98.3 | Very high | 96 | Very high | 10 Ų | 10 | 14.9 Ų | 14.9 | 4% | 0.038 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 115 | -174.9 | -70 | 62 | 0 | 0 | 0 | 111.1 | G292 C293 R295 Y301 L330 F331 E371 L372 | G292-W328 WeakPolarHBondContact CA-O 3.44Å; C293-W328 PolarHBondContact N-O 2.9Å; C293-W328 WeakPolarHBondContact O-CB 3.44Å; C293-W328 PolarHBondContact O-N 3.04Å; R295-W328 HydrophobicContact CG-CD2 4.28Å; R295-W328 HydrophobicContact CG-CG 4.27Å; R295-W328 HydrophobicContact CG-CZ2 4.39Å; Y301-W328 AromaticContact CD1-CZ2 3.82Å; Y301-W328 HydrophobicContact CD1-CZ2 3.82Å; Y301-W328 HydrophobicContact CE1-CH2 4.2Å; Y301-W328 AromaticContact CE1-CZ2 3.78Å; Y301-W328 HydrophobicContact CE1-CZ2 3.78Å; W328-L330 HydrophobicContact CB-CB 4.42Å; W328-L330 PolarHBondContact O-N 3.35Å; W328-L330 VanDerWaalsContact O-N 3.09Å; W328-F331 HydrophobicContact CB-CD2 3.76Å; W328-F331 HydrophobicContact CB-CE2 3.63Å; W328-F331 HydrophobicContact CG-CE2 4.13Å; W328-F331 PolarHBondContact O-N 3.04Å; W328-E371 HydrophobicContact CE3-CG 4.19Å; W328-E371 VanDerWaalsContact CE3-O 3.26Å; W328-E371 HydrophobicContact CH2-CG 3.58Å; W328-E371 WeakPolarHBondContact CH2-OE1 3.37Å; W328-E371 HydrophobicContact CZ2-CG 4.28Å; W328-E371 HydrophobicContact CZ3-CG 3.53Å; W328-L372 HydrophobicContact CD2-CB 4.09Å; W328-L372 HydrophobicContact CG-CB 4.04Å; W328-L372 HydrophobicContact CZ2-CD2 3.72Å |
| 329 | P | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.1 | 175.3 | -24.3 | 32.9 | 0 | 0 | 0 | 114.1 | Y291 F331 W332 L355 V358 L369 P370 Y373 | Y291-P329 WeakPolarHBondContact O-CG 3.47Å; P329-F331 PolarHBondContact O-N 2.83Å; P329-W332 PolarHBondContact O-N 2.89Å; P329-L355 HydrophobicContact CB-CD1 4Å; P329-V358 HydrophobicContact CB-CG2 4.25Å; P329-V358 HydrophobicContact CG-CG2 4.33Å; P329-L369 HydrophobicContact CB-CD1 3.76Å; P329-L369 HydrophobicContact CB-CD2 4.44Å; P329-L369 HydrophobicContact CB-CG 4.18Å; P329-P370 HydrophobicContact CG-CG 4.27Å; P329-Y373 HydrophobicContact CG-CD2 3.75Å; P329-Y373 HydrophobicContact CG-CE2 3.77Å |
| 330 | L | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -47.1 | -43.9 | 175.2 | 175.8 | 66.8 | 0 | 0 | 0 | 112.4 | W328 W332 T333 Y334 W402 G403 L406 | W328-L330 HydrophobicContact CB-CB 4.42Å; W328-L330 PolarHBondContact O-N 3.35Å; W328-L330 VanDerWaalsContact O-N 3.09Å; L330-W332 VanDerWaalsContact C-N 3.31Å; L330-W332 PolarHBondContact O-N 2.88Å; L330-T333 WeakPolarHBondContact O-CB 3.4Å; L330-T333 PolarHBondContact O-N 2.68Å; L330-T333 PolarHBondContact O-OG1 3.05Å; L330-Y334 HydrophobicContact CD1-CE2 4.04Å; L330-Y334 HydrophobicContact CD2-CE2 4.38Å; L330-Y334 HydrophobicContact CG-CD2 4.29Å; L330-Y334 HydrophobicContact CG-CE2 3.98Å; L330-Y334 PolarHBondContact O-N 3.16Å; L330-W402 HydrophobicContact CD1-CD2 4.31Å; L330-W402 HydrophobicContact CD1-CG 4.1Å; L330-W402 HydrophobicContact CD2-CD2 4.19Å; L330-W402 HydrophobicContact CD2-CE3 4.39Å; L330-W402 HydrophobicContact CD2-CH2 4.31Å; L330-W402 HydrophobicContact CD2-CZ2 4.12Å; L330-W402 HydrophobicContact CD2-CZ3 4.44Å; L330-G403 VanDerWaalsContact CD1-CA 3.49Å; L330-L406 HydrophobicContact CD1-CD1 4.14Å |
| 331 | F | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.009 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -71.1 | -26.1 | -173 | -59.4 | -64.3 | 0 | 0 | 0 | 113.3 | W184 A257 L260 C293 R295 W328 P329 T333 Y334 F335 | W184-F331 HydrophobicContact CH2-CE1 4.39Å; W184-F331 AromaticContact CH2-CZ 3.76Å; W184-F331 HydrophobicContact CH2-CZ 3.76Å; W184-F331 HydrophobicContact CZ2-CE1 4.36Å; W184-F331 AromaticContact CZ2-CZ 3.74Å; W184-F331 HydrophobicContact CZ2-CZ 3.74Å; A257-F331 HydrophobicContact CB-CD1 3.67Å; A257-F331 HydrophobicContact CB-CD2 3.85Å; A257-F331 HydrophobicContact CB-CE1 3.53Å; A257-F331 HydrophobicContact CB-CE2 3.68Å; A257-F331 HydrophobicContact CB-CG 3.83Å; A257-F331 HydrophobicContact CB-CZ 3.53Å; L260-F331 HydrophobicContact CD1-CB 4.1Å; L260-F331 HydrophobicContact CD1-CD1 4.2Å; C293-F331 HydrophobicContact CB-CB 3.87Å; C293-F331 HydrophobicContact CB-CD2 3.63Å; C293-F331 HydrophobicContact CB-CE2 4.49Å; C293-F331 HydrophobicContact CB-CG 4.01Å; C293-F331 WeakPolarHBondContact O-CD2 3.39Å; R295-F331 HydrophobicContact CG-CE2 4.33Å; R295-F331 HydrophobicContact CG-CZ 4.42Å; W328-F331 HydrophobicContact CB-CD2 3.76Å; W328-F331 HydrophobicContact CB-CE2 3.63Å; W328-F331 HydrophobicContact CG-CE2 4.13Å; W328-F331 PolarHBondContact O-N 3.04Å; P329-F331 PolarHBondContact O-N 2.83Å; F331-T333 VanDerWaalsContact C-N 3.29Å; F331-T333 PolarHBondContact O-N 3Å; F331-Y334 HydrophobicContact CD1-CD2 4.33Å; F331-Y334 WeakPolarHBondContact O-CB 3.25Å; F331-Y334 PolarHBondContact O-N 2.87Å; F331-Y334 VanDerWaalsContact O-N 3.14Å; F331-F335 VanDerWaalsContact O-CD2 3.27Å; F331-F335 WeakPolarHBondContact O-CD2 3.38Å; F331-F335 PolarHBondContact O-N 3.27Å |
| 332 | W | 98.3 | Very high | 97.2 | Very high | 12 Ų | 12 | 14 Ų | 14 | 5% | 0.045 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.9 | -29.4 | 169 | -65.3 | -13.9 | 0 | 0 | 0 | 112.4 | R290 Y291 P329 L330 Y334 F335 I336 Y351 A354 L355 V358 | R290-W332 WeakPolarHBondContact O-CH2 3.38Å; Y291-W332 VanDerWaalsContact C-CH2 3.45Å; P329-W332 PolarHBondContact O-N 2.89Å; L330-W332 VanDerWaalsContact C-N 3.31Å; L330-W332 PolarHBondContact O-N 2.88Å; W332-Y334 VanDerWaalsContact C-N 3.31Å; W332-Y334 PolarHBondContact O-N 3.09Å; W332-F335 PolarHBondContact O-N 3.08Å; W332-I336 VanDerWaalsContact O-CG1 3.3Å; W332-I336 WeakPolarHBondContact O-CG1 3.34Å; W332-I336 PolarHBondContact O-N 2.95Å; W332-Y351 HydrophobicContact CB-CD1 3.97Å; W332-Y351 AromaticContact CD1-CD1 3.4Å; W332-Y351 AromaticContact CD1-CE1 3.44Å; W332-Y351 VanDerWaalsContact CD1-CE1 3.44Å; W332-Y351 HydrophobicContact CD2-CD1 4.26Å; W332-Y351 AromaticContact CG-CD1 3.63Å; W332-Y351 HydrophobicContact CG-CD1 3.63Å; W332-Y351 HydrophobicContact CG-CE1 4.15Å; W332-Y351 AromaticContact NE1-CD1 3.87Å; W332-Y351 AromaticContact NE1-CE1 3.66Å; W332-A354 HydrophobicContact CD2-CB 4.32Å; W332-A354 HydrophobicContact CE3-CB 3.89Å; W332-A354 HydrophobicContact CH2-CB 3.87Å; W332-A354 HydrophobicContact CZ2-CB 4.31Å; W332-A354 HydrophobicContact CZ3-CB 3.67Å; W332-A354 WeakPolarHBondContact CZ3-O 3.36Å; W332-L355 HydrophobicContact CB-CD1 4.27Å; W332-L355 HydrophobicContact CE3-CD1 4.16Å; W332-V358 HydrophobicContact CE3-CG2 4.27Å; W332-V358 HydrophobicContact CZ3-CG1 4.1Å; W332-V358 HydrophobicContact CZ3-CG2 3.86Å |
| 333 | T | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.8 | -33.6 | 171 | 75.7 | 0 | 0 | 0 | 0 | 112.2 | L330 F331 L337 L355 L369 L406 | L330-T333 WeakPolarHBondContact O-CB 3.4Å; L330-T333 PolarHBondContact O-N 2.68Å; L330-T333 PolarHBondContact O-OG1 3.05Å; F331-T333 VanDerWaalsContact C-N 3.29Å; F331-T333 PolarHBondContact O-N 3Å; T333-L337 WeakPolarHBondContact O-CG 3.42Å; T333-L337 PolarHBondContact O-N 3.33Å; T333-L337 VanDerWaalsContact O-N 3.12Å; T333-L355 HydrophobicContact CG2-CD2 3.9Å; T333-L369 HydrophobicContact CG2-CD2 4.18Å; T333-L406 WeakPolarHBondContact OG1-CB 3.22Å |
| 334 | Y | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 15 Ų | 15 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.4 | -43 | 171 | -78.4 | -81.9 | 0 | 0 | 0 | 111.7 | Y49 L260 F265 L330 F331 W332 I336 L337 D338 W402 L406 | Y49-Y334 VanDerWaalsContact CE1-OH 3.32Å; Y49-Y334 WeakPolarHBondContact CE1-OH 3.44Å; Y49-Y334 VanDerWaalsContact CZ-OH 3.31Å; Y49-Y334 PolarHBondContact OH-OH 2.61Å; L260-Y334 HydrophobicContact CB-CD1 4.48Å; L260-Y334 HydrophobicContact CB-CG 4.3Å; F265-Y334 WeakPolarHBondContact O-CD1 3.29Å; F265-Y334 VanDerWaalsContact O-CE1 3.29Å; F265-Y334 WeakPolarHBondContact O-CE1 3.44Å; L330-Y334 HydrophobicContact CD1-CE2 4.04Å; L330-Y334 HydrophobicContact CD2-CE2 4.38Å; L330-Y334 HydrophobicContact CG-CD2 4.29Å; L330-Y334 HydrophobicContact CG-CE2 3.98Å; L330-Y334 PolarHBondContact O-N 3.16Å; F331-Y334 HydrophobicContact CD1-CD2 4.33Å; F331-Y334 WeakPolarHBondContact O-CB 3.25Å; F331-Y334 PolarHBondContact O-N 2.87Å; F331-Y334 VanDerWaalsContact O-N 3.14Å; W332-Y334 VanDerWaalsContact C-N 3.31Å; W332-Y334 PolarHBondContact O-N 3.09Å; Y334-I336 VanDerWaalsContact C-N 3.35Å; Y334-I336 PolarHBondContact O-N 3.28Å; Y334-L337 PolarHBondContact O-N 3.39Å; Y334-D338 VanDerWaalsContact O-CB 3.29Å; Y334-D338 WeakPolarHBondContact O-CB 3.32Å; Y334-D338 PolarHBondContact O-N 3.15Å; Y334-W402 HydrophobicContact CE2-CZ2 4.46Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.4Å; Y334-W402 PolarHBondContact OH-NE1 2.75Å; Y334-W402 VanDerWaalsContact OH-NE1 3.15Å; Y334-L406 HydrophobicContact CD2-CD1 4.14Å; Y334-L406 HydrophobicContact CE1-CD1 4.08Å; Y334-L406 HydrophobicContact CE2-CD1 3.58Å |
| 335 | F | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 1% | 0.013 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.3 | -33.7 | 175.6 | -71.7 | -62 | 0 | 0 | 0 | 113.7 | L260 I283 I284 F331 W332 G339 Q347 Y351 | L260-F335 HydrophobicContact CD1-CD2 4.35Å; L260-F335 HydrophobicContact CD1-CE1 4.2Å; L260-F335 HydrophobicContact CD1-CE2 3.9Å; L260-F335 HydrophobicContact CD1-CZ 3.81Å; L260-F335 HydrophobicContact CD2-CD1 4.38Å; L260-F335 HydrophobicContact CD2-CE1 3.71Å; L260-F335 HydrophobicContact CD2-CZ 3.95Å; I283-F335 HydrophobicContact CG2-CZ 4.37Å; I284-F335 HydrophobicContact CD1-CE1 3.97Å; I284-F335 HydrophobicContact CD1-CZ 4.13Å; I284-F335 HydrophobicContact CG1-CE1 3.93Å; I284-F335 HydrophobicContact CG1-CE2 4.42Å; I284-F335 HydrophobicContact CG1-CZ 3.56Å; F331-F335 VanDerWaalsContact O-CD2 3.27Å; F331-F335 WeakPolarHBondContact O-CD2 3.38Å; F331-F335 PolarHBondContact O-N 3.27Å; W332-F335 PolarHBondContact O-N 3.08Å; F335-G339 PolarHBondContact O-N 3.16Å; F335-Q347 PolarHBondContact O-NE2 2.88Å; F335-Y351 HydrophobicContact CB-CD1 4.2Å; F335-Y351 HydrophobicContact CB-CD2 3.46Å; F335-Y351 VanDerWaalsContact CB-CD2 3.46Å; F335-Y351 HydrophobicContact CB-CE1 4.29Å; F335-Y351 HydrophobicContact CB-CE2 3.58Å; F335-Y351 HydrophobicContact CB-CG 3.8Å; F335-Y351 HydrophobicContact CD1-CE2 4.35Å; F335-Y351 HydrophobicContact CD2-CD1 4.34Å; F335-Y351 AromaticContact CD2-CE1 3.83Å; F335-Y351 HydrophobicContact CD2-CE1 3.83Å; F335-Y351 HydrophobicContact CD2-CE2 4.24Å; F335-Y351 AromaticContact CD2-CZ 3.77Å; F335-Y351 HydrophobicContact CE2-CE1 4.48Å; F335-Y351 HydrophobicContact CG-CD2 4.23Å; F335-Y351 HydrophobicContact CG-CE1 4.25Å; F335-Y351 AromaticContact CG-CE2 3.84Å; F335-Y351 HydrophobicContact CG-CE2 3.84Å; F335-Y351 AromaticContact CG-CZ 3.85Å |
| 336 | I | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.036 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -50 | 170.8 | -70.4 | 165.2 | 0 | 0 | 0 | 110.1 | W332 Y334 G339 I340 V348 R352 L355 | W332-I336 VanDerWaalsContact O-CG1 3.3Å; W332-I336 WeakPolarHBondContact O-CG1 3.34Å; W332-I336 PolarHBondContact O-N 2.95Å; Y334-I336 VanDerWaalsContact C-N 3.35Å; Y334-I336 PolarHBondContact O-N 3.28Å; I336-G339 PolarHBondContact O-N 3.14Å; I336-I340 HydrophobicContact CG2-CD1 3.96Å; I336-I340 VanDerWaalsContact O-CG1 3.28Å; I336-I340 WeakPolarHBondContact O-CG1 3.32Å; I336-I340 PolarHBondContact O-N 2.87Å; I336-V348 HydrophobicContact CG2-CG1 4.49Å; I336-R352 HydrophobicContact CD1-CG 3.75Å; I336-R352 HydrophobicContact CG1-CG 4.09Å; I336-L355 HydrophobicContact CD1-CD2 3.88Å |
| 337 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 179 | -71 | 165.1 | 0 | 0 | 0 | 111.3 | F265 T333 Y334 G339 I340 F341 L406 L409 M413 | F265-L337 HydrophobicContact CB-CB 4.45Å; F265-L337 HydrophobicContact CD1-CD1 3.77Å; F265-L337 HydrophobicContact CE1-CD1 4.11Å; T333-L337 WeakPolarHBondContact O-CG 3.42Å; T333-L337 PolarHBondContact O-N 3.33Å; T333-L337 VanDerWaalsContact O-N 3.12Å; Y334-L337 PolarHBondContact O-N 3.39Å; L337-G339 VanDerWaalsContact C-N 3.34Å; L337-G339 PolarHBondContact O-N 3.05Å; L337-I340 WeakPolarHBondContact O-CB 3.4Å; L337-I340 PolarHBondContact O-N 2.94Å; L337-I340 VanDerWaalsContact O-N 3.11Å; L337-F341 VanDerWaalsContact O-CD2 3.24Å; L337-F341 WeakPolarHBondContact O-CD2 3.45Å; L337-F341 PolarHBondContact O-N 3.07Å; L337-L406 HydrophobicContact CD1-CB 4.24Å; L337-L406 HydrophobicContact CD1-CD2 3.99Å; L337-L409 HydrophobicContact CD2-CG 4.45Å; L337-M413 HydrophobicContact CD2-SD 3.8Å |
| 338 | D | 97.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 29.3 Ų | 29.3 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58 | -42.9 | 175.2 | -177 | 70.2 | 0 | 0 | 0 | 112.6 | S264 K280 Y334 I340 F341 S342 Q347 | S264-D338 VanDerWaalsContact CB-OD1 3.25Å; S264-D338 WeakPolarHBondContact CB-OD1 3.49Å; S264-D338 WeakPolarHBondContact OG-CB 3.45Å; S264-D338 PolarHBondContact OG-OD1 3.29Å; K280-D338 VanDerWaalsContact CE-OD1 3.27Å; K280-D338 WeakPolarHBondContact CE-OD1 3.18Å; K280-D338 WeakPolarHBondContact CE-OD2 3.37Å; K280-D338 IonicContact NZ-OD1 3.79Å; K280-D338 PolarHBondContact NZ-OD1 2.9Å; K280-D338 IonicContact NZ-OD2 3.99Å; K280-D338 PolarHBondContact NZ-OD2 3.36Å; Y334-D338 VanDerWaalsContact O-CB 3.29Å; Y334-D338 WeakPolarHBondContact O-CB 3.32Å; Y334-D338 PolarHBondContact O-N 3.15Å; D338-I340 VanDerWaalsContact C-N 3.34Å; D338-I340 PolarHBondContact O-N 2.97Å; D338-F341 PolarHBondContact O-N 3.23Å; D338-S342 WeakPolarHBondContact O-CB 3.41Å; D338-S342 PolarHBondContact O-N 2.9Å; D338-S342 PolarHBondContact O-OG 3.23Å; D338-Q347 PolarHBondContact OD2-NE2 2.92Å |
| 339 | G | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -38.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F335 I336 L337 S342 G343 N344 V348 | F335-G339 PolarHBondContact O-N 3.16Å; I336-G339 PolarHBondContact O-N 3.14Å; L337-G339 VanDerWaalsContact C-N 3.34Å; L337-G339 PolarHBondContact O-N 3.05Å; G339-S342 WeakPolarHBondContact CA-OG 3.36Å; G339-S342 PolarHBondContact O-OG 2.95Å; G339-G343 CarbonylContact O-C 3.56Å; G339-G343 WeakPolarHBondContact O-CA 3.3Å; G339-G343 PolarHBondContact O-N 2.85Å; G339-N344 PolarHBondContact O-N 2.77Å; G339-V348 VanDerWaalsContact C-CG2 3.44Å |
| 340 | I | 97.6 | Very high | 97.4 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 14% | 0.138 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.9 | -44.8 | 175.2 | -65.8 | 163.6 | 0 | 0 | 0 | 111.4 | I336 L337 D338 G343 V348 G410 M413 A414 P420 | I336-I340 HydrophobicContact CG2-CD1 3.96Å; I336-I340 VanDerWaalsContact O-CG1 3.28Å; I336-I340 WeakPolarHBondContact O-CG1 3.32Å; I336-I340 PolarHBondContact O-N 2.87Å; L337-I340 WeakPolarHBondContact O-CB 3.4Å; L337-I340 PolarHBondContact O-N 2.94Å; L337-I340 VanDerWaalsContact O-N 3.11Å; D338-I340 VanDerWaalsContact C-N 3.34Å; D338-I340 PolarHBondContact O-N 2.97Å; I340-G343 PolarHBondContact O-N 3.14Å; I340-V348 HydrophobicContact CG1-CG1 4.37Å; I340-V348 HydrophobicContact CG1-CG2 3.73Å; I340-G410 WeakPolarHBondContact CD1-O 3.46Å; I340-M413 HydrophobicContact CD1-CB 3.89Å; I340-M413 HydrophobicContact CG2-CB 4.14Å; I340-M413 HydrophobicContact CG2-CE 3.77Å; I340-A414 HydrophobicContact CD1-CB 3.96Å; I340-A414 HydrophobicContact CG1-CB 4.49Å; I340-P420 HydrophobicContact CG2-CG 4.34Å |
| 341 | F | 96.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.7 | -31.6 | -179.2 | -83.2 | -77 | 0 | 0 | 0 | 113 | F265 F268 L337 D338 M413 P420 I423 D424 R429 | F265-F341 HydrophobicContact CB-CD2 3.96Å; F265-F341 HydrophobicContact CB-CE2 3.8Å; F265-F341 HydrophobicContact CD2-CD2 4.38Å; F265-F341 AromaticContact CD2-CE2 3.43Å; F265-F341 HydrophobicContact CD2-CE2 3.43Å; F265-F341 VanDerWaalsContact CD2-CE2 3.43Å; F265-F341 AromaticContact CD2-CZ 3.66Å; F265-F341 HydrophobicContact CD2-CZ 3.66Å; F265-F341 HydrophobicContact CE2-CE2 4.26Å; F265-F341 HydrophobicContact CE2-CZ 4.25Å; F265-F341 HydrophobicContact CG-CD2 4.41Å; F265-F341 AromaticContact CG-CE2 3.76Å; F265-F341 HydrophobicContact CG-CE2 3.76Å; F265-F341 HydrophobicContact CG-CZ 4.43Å; F268-F341 HydrophobicContact CE1-CB 4.29Å; F268-F341 HydrophobicContact CE1-CD1 4.43Å; F268-F341 HydrophobicContact CE1-CG 4.21Å; F268-F341 HydrophobicContact CE2-CE1 4.38Å; F268-F341 HydrophobicContact CZ-CB 4.28Å; F268-F341 AromaticContact CZ-CD1 3.72Å; F268-F341 HydrophobicContact CZ-CD1 3.72Å; F268-F341 AromaticContact CZ-CD2 3.89Å; F268-F341 HydrophobicContact CZ-CD2 3.89Å; F268-F341 AromaticContact CZ-CE1 3.96Å; F268-F341 HydrophobicContact CZ-CE1 3.96Å; F268-F341 HydrophobicContact CZ-CE2 4.14Å; F268-F341 AromaticContact CZ-CG 3.7Å; F268-F341 HydrophobicContact CZ-CG 3.7Å; F268-F341 HydrophobicContact CZ-CZ 4.17Å; L337-F341 VanDerWaalsContact O-CD2 3.24Å; L337-F341 WeakPolarHBondContact O-CD2 3.45Å; L337-F341 PolarHBondContact O-N 3.07Å; D338-F341 PolarHBondContact O-N 3.23Å; F341-M413 HydrophobicContact CD2-CE 4.41Å; F341-M413 HydrophobicContact CE1-CE 4.46Å; F341-M413 HydrophobicContact CE2-CE 3.73Å; F341-M413 HydrophobicContact CZ-CE 3.76Å; F341-P420 HydrophobicContact CD1-CB 3.76Å; F341-P420 HydrophobicContact CE1-CB 3.66Å; F341-I423 HydrophobicContact CZ-CG2 4.47Å; F341-D424 HydrophobicContact CE1-CB 4.07Å; F341-D424 HydrophobicContact CZ-CB 4.44Å; F341-R429 HydrophobicContact CD1-CB 4.03Å; F341-R429 HydrophobicContact CE1-CB 4.48Å |
| 342 | S | 94.3 | Very high | 97.4 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 51% | 0.51 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -84.7 | -14.6 | 174.6 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | D338 G339 N344 | D338-S342 WeakPolarHBondContact O-CB 3.41Å; D338-S342 PolarHBondContact O-N 2.9Å; D338-S342 PolarHBondContact O-OG 3.23Å; G339-S342 WeakPolarHBondContact CA-OG 3.36Å; G339-S342 PolarHBondContact O-OG 2.95Å; S342-N344 VanDerWaalsContact C-N 3.32Å |
| 343 | G | 95.3 | Very high | 97.4 | Very high | 56 Ų | 56 | 46.8 Ų | 46.8 | 58% | 0.577 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 10 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G339 I340 T345 | G339-G343 CarbonylContact O-C 3.56Å; G339-G343 WeakPolarHBondContact O-CA 3.3Å; G339-G343 PolarHBondContact O-N 2.85Å; I340-G343 PolarHBondContact O-N 3.14Å; G343-T345 PolarHBondContact O-N 2.95Å; G343-T345 VanDerWaalsContact O-N 3.11Å |
| 344 | N | 97 | Very high | 97.3 | Very high | 64 Ų | 64 | 48.1 Ų | 48.1 | 34% | 0.342 | 26% | 0.262 | S | S | . | . | trans | -78.2 | 88.6 | 176.5 | -174.1 | -6.6 | 0 | 0 | 0 | 111.5 | G339 S342 E346 Q347 V348 | G339-N344 PolarHBondContact O-N 2.77Å; S342-N344 VanDerWaalsContact C-N 3.32Å; N344-E346 VanDerWaalsContact C-N 3.28Å; N344-E346 PolarHBondContact O-N 3.39Å; N344-E346 PolarHBondContact OD1-N 3.19Å; N344-Q347 HydrophobicContact CB-CB 4.12Å; N344-Q347 VanDerWaalsContact CG-CB 3.46Å; N344-Q347 VanDerWaalsContact ND2-CB 3.32Å; N344-Q347 WeakPolarHBondContact ND2-CB 3.31Å; N344-Q347 PolarHBondContact ND2-OE1 3.23Å; N344-Q347 VanDerWaalsContact ND2-OE1 3.14Å; N344-Q347 PolarHBondContact OD1-N 3.23Å; N344-Q347 VanDerWaalsContact OD1-N 3.17Å; N344-V348 WeakPolarHBondContact O-CG2 3.34Å; N344-V348 PolarHBondContact O-N 2.92Å | ||
| 345 | T | 96 | Very high | 97.2 | Very high | 112 Ų | 112 | 47.8 Ų | 47.8 | 69% | 0.687 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.3 | -25.3 | 179.3 | 51 | 0 | 0 | 0 | 0 | 114.4 | G343 Q349 | G343-T345 PolarHBondContact O-N 2.95Å; G343-T345 VanDerWaalsContact O-N 3.11Å; T345-Q349 PolarHBondContact O-N 3.41Å; T345-Q349 VanDerWaalsContact O-N 3.11Å |
| 346 | E | 97.8 | Very high | 97.1 | Very high | 156 Ų | 156 | 52.3 Ų | 52.3 | 73% | 0.729 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.6 | -49.4 | 179.9 | -63.6 | -177.2 | 171.7 | 0 | 0 | 110.1 | N344 V348 Q349 E350 | N344-E346 VanDerWaalsContact C-N 3.28Å; N344-E346 PolarHBondContact O-N 3.39Å; N344-E346 PolarHBondContact OD1-N 3.19Å; E346-V348 VanDerWaalsContact C-N 3.31Å; E346-V348 PolarHBondContact O-N 3.11Å; E346-Q349 PolarHBondContact O-N 2.95Å; E346-Q349 VanDerWaalsContact O-N 3.09Å; E346-E350 WeakPolarHBondContact O-CB 3.49Å; E346-E350 PolarHBondContact O-N 2.64Å |
| 347 | Q | 97.4 | Very high | 97 | Very high | 30 Ų | 30 | 56.1 Ų | 56.1 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.5 | -42.7 | 171.5 | 174.4 | 178.3 | -30.3 | 0 | 0 | 112.2 | F335 D338 N344 Q349 Y351 | F335-Q347 PolarHBondContact O-NE2 2.88Å; D338-Q347 PolarHBondContact OD2-NE2 2.92Å; N344-Q347 HydrophobicContact CB-CB 4.12Å; N344-Q347 VanDerWaalsContact CG-CB 3.46Å; N344-Q347 VanDerWaalsContact ND2-CB 3.32Å; N344-Q347 WeakPolarHBondContact ND2-CB 3.31Å; N344-Q347 PolarHBondContact ND2-OE1 3.23Å; N344-Q347 VanDerWaalsContact ND2-OE1 3.14Å; N344-Q347 PolarHBondContact OD1-N 3.23Å; N344-Q347 VanDerWaalsContact OD1-N 3.17Å; Q347-Q349 VanDerWaalsContact C-N 3.32Å; Q347-Q349 PolarHBondContact O-N 2.86Å; Q347-Y351 HydrophobicContact CG-CD2 3.79Å; Q347-Y351 HydrophobicContact CG-CE2 3.89Å; Q347-Y351 VanDerWaalsContact O-CD2 3.31Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.25Å; Q347-Y351 PolarHBondContact O-N 3.17Å; Q347-Y351 VanDerWaalsContact O-N 3.11Å |
| 348 | V | 98.2 | Very high | 96.9 | Very high | 15 Ų | 15 | 56.6 Ų | 56.6 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.7 | 173 | 0 | 0 | 0 | 0 | 111.4 | I336 G339 I340 N344 E346 R352 A414 | I336-V348 HydrophobicContact CG2-CG1 4.49Å; G339-V348 VanDerWaalsContact C-CG2 3.44Å; I340-V348 HydrophobicContact CG1-CG1 4.37Å; I340-V348 HydrophobicContact CG1-CG2 3.73Å; N344-V348 WeakPolarHBondContact O-CG2 3.34Å; N344-V348 PolarHBondContact O-N 2.92Å; E346-V348 VanDerWaalsContact C-N 3.31Å; E346-V348 PolarHBondContact O-N 3.11Å; V348-R352 WeakPolarHBondContact O-CB 3.37Å; V348-R352 WeakPolarHBondContact O-CG 3.38Å; V348-R352 PolarHBondContact O-N 2.72Å; V348-A414 HydrophobicContact CG1-CB 4.13Å |
| 349 | Q | 97.8 | Very high | 96.8 | Very high | 93 Ų | 93 | 57.3 Ų | 57.3 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.8 | -44.7 | -178.9 | -172.7 | 59.5 | 26.9 | 0 | 0 | 111.8 | T345 E346 Q347 Y351 R352 E353 | T345-Q349 PolarHBondContact O-N 3.41Å; T345-Q349 VanDerWaalsContact O-N 3.11Å; E346-Q349 PolarHBondContact O-N 2.95Å; E346-Q349 VanDerWaalsContact O-N 3.09Å; Q347-Q349 VanDerWaalsContact C-N 3.32Å; Q347-Q349 PolarHBondContact O-N 2.86Å; Q349-Y351 PolarHBondContact O-N 3.23Å; Q349-R352 PolarHBondContact O-N 2.91Å; Q349-E353 PolarHBondContact NE2-OE1 2.9Å; Q349-E353 WeakPolarHBondContact O-CG 3.22Å; Q349-E353 PolarHBondContact O-N 3.31Å |
| 350 | E | 97.6 | Very high | 96.8 | Very high | 115 Ų | 115 | 59.3 Ų | 59.3 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -53.4 | -56.2 | 177 | 179.8 | -178 | -178.6 | 0 | 0 | 111.7 | E346 R352 E353 A354 | E346-E350 WeakPolarHBondContact O-CB 3.49Å; E346-E350 PolarHBondContact O-N 2.64Å; E350-R352 VanDerWaalsContact C-N 3.31Å; E350-R352 PolarHBondContact O-N 2.78Å; E350-E353 PolarHBondContact O-N 3.01Å; E350-A354 PolarHBondContact O-N 3.35Å |
| 351 | Y | 98.1 | Very high | 96.6 | Very high | 13 Ų | 13 | 66.6 Ų | 66.6 | 5% | 0.051 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.1 | -23.2 | -178 | -72.3 | -70.4 | 0 | 0 | 0 | 113.1 | Q288 W332 F335 Q347 Q349 L355 | Q288-Y351 PolarHBondContact OE1-OH 3.3Å; W332-Y351 HydrophobicContact CB-CD1 3.97Å; W332-Y351 AromaticContact CD1-CD1 3.4Å; W332-Y351 AromaticContact CD1-CE1 3.44Å; W332-Y351 VanDerWaalsContact CD1-CE1 3.44Å; W332-Y351 HydrophobicContact CD2-CD1 4.26Å; W332-Y351 AromaticContact CG-CD1 3.63Å; W332-Y351 HydrophobicContact CG-CD1 3.63Å; W332-Y351 HydrophobicContact CG-CE1 4.15Å; W332-Y351 AromaticContact NE1-CD1 3.87Å; W332-Y351 AromaticContact NE1-CE1 3.66Å; F335-Y351 HydrophobicContact CB-CD1 4.2Å; F335-Y351 HydrophobicContact CB-CD2 3.46Å; F335-Y351 VanDerWaalsContact CB-CD2 3.46Å; F335-Y351 HydrophobicContact CB-CE1 4.29Å; F335-Y351 HydrophobicContact CB-CE2 3.58Å; F335-Y351 HydrophobicContact CB-CG 3.8Å; F335-Y351 HydrophobicContact CD1-CE2 4.35Å; F335-Y351 HydrophobicContact CD2-CD1 4.34Å; F335-Y351 AromaticContact CD2-CE1 3.83Å; F335-Y351 HydrophobicContact CD2-CE1 3.83Å; F335-Y351 HydrophobicContact CD2-CE2 4.24Å; F335-Y351 AromaticContact CD2-CZ 3.77Å; F335-Y351 HydrophobicContact CE2-CE1 4.48Å; F335-Y351 HydrophobicContact CG-CD2 4.23Å; F335-Y351 HydrophobicContact CG-CE1 4.25Å; F335-Y351 AromaticContact CG-CE2 3.84Å; F335-Y351 HydrophobicContact CG-CE2 3.84Å; F335-Y351 AromaticContact CG-CZ 3.85Å; Q347-Y351 HydrophobicContact CG-CD2 3.79Å; Q347-Y351 HydrophobicContact CG-CE2 3.89Å; Q347-Y351 VanDerWaalsContact O-CD2 3.31Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.25Å; Q347-Y351 PolarHBondContact O-N 3.17Å; Q347-Y351 VanDerWaalsContact O-N 3.11Å; Q349-Y351 PolarHBondContact O-N 3.23Å; Y351-L355 WeakPolarHBondContact O-CB 3.39Å; Y351-L355 PolarHBondContact O-N 2.95Å |
| 352 | R | 97.6 | Very high | 96.2 | Very high | 49 Ų | 49 | 66.1 Ų | 66.1 | 19% | 0.185 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 170.1 | -79.1 | 179.2 | 81.5 | 171 | 9.8 | 111.7 | I336 V348 Q349 E350 L355 D356 N411 E415 | I336-R352 HydrophobicContact CD1-CG 3.75Å; I336-R352 HydrophobicContact CG1-CG 4.09Å; V348-R352 WeakPolarHBondContact O-CB 3.37Å; V348-R352 WeakPolarHBondContact O-CG 3.38Å; V348-R352 PolarHBondContact O-N 2.72Å; Q349-R352 PolarHBondContact O-N 2.91Å; E350-R352 VanDerWaalsContact C-N 3.31Å; E350-R352 PolarHBondContact O-N 2.78Å; R352-L355 PolarHBondContact O-N 3.25Å; R352-D356 WeakPolarHBondContact O-CB 3.46Å; R352-D356 PolarHBondContact O-N 3.48Å; R352-N411 PolarHBondContact NE-OD1 3.36Å; R352-N411 PolarHBondContact NH2-OD1 2.88Å; R352-E415 IonicContact NH2-OE1 3.29Å |
| 353 | E | 97.4 | Very high | 95.6 | Very high | 121 Ų | 121 | 71.9 Ų | 71.9 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 176.9 | -71.6 | 178.8 | -166.9 | 0 | 0 | 111.6 | Q349 E350 D356 A357 | Q349-E353 PolarHBondContact NE2-OE1 2.9Å; Q349-E353 WeakPolarHBondContact O-CG 3.22Å; Q349-E353 PolarHBondContact O-N 3.31Å; E350-E353 PolarHBondContact O-N 3.01Å; E353-D356 PolarHBondContact O-N 3.34Å; E353-A357 PolarHBondContact O-N 3.16Å |
| 354 | A | 97.3 | Very high | 95 | Very high | 29 Ų | 29 | 77 Ų | 77 | 24% | 0.24 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W332 E350 A357 | W332-A354 HydrophobicContact CD2-CB 4.32Å; W332-A354 HydrophobicContact CE3-CB 3.89Å; W332-A354 HydrophobicContact CH2-CB 3.87Å; W332-A354 HydrophobicContact CZ2-CB 4.31Å; W332-A354 HydrophobicContact CZ3-CB 3.67Å; W332-A354 WeakPolarHBondContact CZ3-O 3.36Å; E350-A354 PolarHBondContact O-N 3.35Å; A354-A357 WeakPolarHBondContact O-CB 3.42Å; A354-A357 PolarHBondContact O-N 3.23Å |
| 355 | L | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 179.5 | -162.2 | 66.7 | 0 | 0 | 0 | 112.3 | P329 W332 T333 I336 Y351 R352 A357 V358 L359 L369 Y407 | P329-L355 HydrophobicContact CB-CD1 4Å; W332-L355 HydrophobicContact CB-CD1 4.27Å; W332-L355 HydrophobicContact CE3-CD1 4.16Å; T333-L355 HydrophobicContact CG2-CD2 3.9Å; I336-L355 HydrophobicContact CD1-CD2 3.88Å; Y351-L355 WeakPolarHBondContact O-CB 3.39Å; Y351-L355 PolarHBondContact O-N 2.95Å; R352-L355 PolarHBondContact O-N 3.25Å; L355-A357 PolarHBondContact O-N 3.23Å; L355-V358 HydrophobicContact CD1-CG2 4.24Å; L355-V358 CarbonylContact O-C 3.48Å; L355-V358 WeakPolarHBondContact O-CG2 3.49Å; L355-V358 PolarHBondContact O-N 3.37Å; L355-L359 WeakPolarHBondContact O-CG 3.19Å; L355-L359 PolarHBondContact O-N 3.17Å; L355-L369 HydrophobicContact CD1-CD1 3.52Å; L355-L369 HydrophobicContact CG-CD1 4.13Å; L355-Y407 HydrophobicContact CD2-CD2 3.43Å; L355-Y407 VanDerWaalsContact CD2-CD2 3.43Å; L355-Y407 HydrophobicContact CD2-CE2 3.98Å; L355-Y407 HydrophobicContact CD2-CG 4.37Å; L355-Y407 HydrophobicContact CG-CD2 4.42Å |
| 356 | D | 95.4 | Very high | 94.4 | Very high | 98 Ų | 98 | 72 Ų | 72 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62 | -28 | 175.9 | -82.3 | -14 | 0 | 0 | 0 | 112.7 | R352 E353 V358 | R352-D356 WeakPolarHBondContact O-CB 3.46Å; R352-D356 PolarHBondContact O-N 3.48Å; E353-D356 PolarHBondContact O-N 3.34Å; D356-V358 VanDerWaalsContact C-N 3.34Å |
| 357 | A | 95.6 | Very high | 94.2 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 72% | 0.719 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.8 | -23.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E353 A354 L355 | E353-A357 PolarHBondContact O-N 3.16Å; A354-A357 WeakPolarHBondContact O-CB 3.42Å; A354-A357 PolarHBondContact O-N 3.23Å; L355-A357 PolarHBondContact O-N 3.23Å |
| 358 | V | 96.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -109.6 | 0.6 | -178.9 | -55.8 | 0 | 0 | 0 | 0 | 114.3 | Y291 P329 W332 L355 D356 Y373 | Y291-V358 HydrophobicContact CD1-CG1 3.78Å; Y291-V358 HydrophobicContact CG-CG1 4.48Å; P329-V358 HydrophobicContact CB-CG2 4.25Å; P329-V358 HydrophobicContact CG-CG2 4.33Å; W332-V358 HydrophobicContact CE3-CG2 4.27Å; W332-V358 HydrophobicContact CZ3-CG1 4.1Å; W332-V358 HydrophobicContact CZ3-CG2 3.86Å; L355-V358 HydrophobicContact CD1-CG2 4.24Å; L355-V358 CarbonylContact O-C 3.48Å; L355-V358 WeakPolarHBondContact O-CG2 3.49Å; L355-V358 PolarHBondContact O-N 3.37Å; D356-V358 VanDerWaalsContact C-N 3.34Å; V358-Y373 HydrophobicContact CB-CE2 4Å; V358-Y373 PolarHBondContact O-OH 3.14Å |
| 359 | L | 96.5 | Very high | 94 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 12% | 0.12 | 35% | 0.353 | C | S | . | . | trans | -72.4 | 130.9 | 175.6 | -80.8 | 167.3 | 0 | 0 | 0 | 112.3 | L355 P367 L369 Y407 | L355-L359 WeakPolarHBondContact O-CG 3.19Å; L355-L359 PolarHBondContact O-N 3.17Å; L359-P367 HydrophobicContact CD1-CB 4.1Å; L359-P367 HydrophobicContact CD2-CB 4.37Å; L359-L369 HydrophobicContact CD2-CB 4.03Å; L359-L369 HydrophobicContact CD2-CD1 3.64Å; L359-L369 HydrophobicContact CD2-CG 4.48Å; L359-L369 HydrophobicContact CG-CD1 4.42Å; L359-Y407 HydrophobicContact CD1-CD2 4.47Å; L359-Y407 HydrophobicContact CD1-CE1 4.19Å; L359-Y407 HydrophobicContact CD1-CE2 3.62Å; L359-Y407 VanDerWaalsContact CD1-CZ 3.45Å; L359-Y407 WeakPolarHBondContact CD1-OH 3.46Å | ||
| 360 | I | 95.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 61.2 Ų | 61.2 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 127.3 | 178.3 | -56.8 | -179.4 | 0 | 0 | 0 | 109.5 | G362 L368 P370 P394 L398 | I360-G362 PolarHBondContact O-N 3.23Å; I360-L368 PolarHBondContact N-O 2.97Å; I360-L368 WeakPolarHBondContact O-CB 3.35Å; I360-L368 PolarHBondContact O-N 3.1Å; I360-P370 HydrophobicContact CD1-CB 4.01Å; I360-P370 HydrophobicContact CD1-CG 4.1Å; I360-P370 HydrophobicContact CG1-CG 4.41Å; I360-P394 HydrophobicContact CD1-CB 3.55Å; I360-P394 HydrophobicContact CD1-CG 3.72Å; I360-L398 HydrophobicContact CB-CD1 4.28Å; I360-L398 HydrophobicContact CD1-CD1 3.87Å; I360-L398 HydrophobicContact CD1-CD2 3.91Å; I360-L398 HydrophobicContact CG1-CD1 4.47Å; I360-L398 HydrophobicContact CG2-CD2 4.2Å |
| 361 | K | 93.3 | Very high | 93.9 | Very high | 180 Ų | 180 | 56 Ų | 56 | 78% | 0.783 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 101.9 | 177.4 | -67.4 | 177.9 | -177.2 | 172.7 | 0 | 110.2 | ||
| 362 | G | 87.8 | Confident | 93.9 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 22% | 0.216 | 31% | 0.306 | C | S | . | . | trans | -71.5 | -171.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I360 N364 G365 V366 | I360-G362 PolarHBondContact O-N 3.23Å; G362-N364 PolarHBondContact O-N 2.71Å; G362-G365 PolarHBondContact O-N 2.72Å; G362-V366 PolarHBondContact N-O 3.41Å | ||
| 363 | K | 82.6 | Confident | 93.9 | Very high | 193 Ų | 193 | 53.8 Ų | 53.8 | 84% | 0.839 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -54.4 | 138.5 | 175.4 | -66.5 | 178.9 | -177.8 | 173.3 | 0 | 110 | G365 V366 | K363-G365 PolarHBondContact O-N 3.32Å; K363-V366 WeakPolarHBondContact O-CG2 3.48Å; K363-V366 PolarHBondContact O-N 2.82Å |
| 364 | N | 82.8 | Confident | 93.9 | Very high | 163 Ų | 163 | 48.2 Ų | 48.2 | 87% | 0.872 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | 59.8 | 17.1 | -175.5 | -50.7 | -28 | 0 | 0 | 0 | 115.2 | G362 | G362-N364 PolarHBondContact O-N 2.71Š|
| 365 | G | 87.9 | Confident | 93.9 | Very high | 50 Ų | 50 | 46.9 Ų | 46.9 | 52% | 0.515 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | 80.7 | 15 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | G362 K363 | G362-G365 PolarHBondContact O-N 2.72Å; K363-G365 PolarHBondContact O-N 3.32Å |
| 366 | V | 91.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | trans | -61.6 | 127.7 | 176.2 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | L17 Q20 T21 G362 K363 L368 | L17-V366 HydrophobicContact CD1-CG1 3.57Å; Q20-V366 VanDerWaalsContact OE1-CG2 3.26Å; T21-V366 HydrophobicContact CG2-CG1 4Å; G362-V366 PolarHBondContact N-O 3.41Å; K363-V366 WeakPolarHBondContact O-CG2 3.48Å; K363-V366 PolarHBondContact O-N 2.82Å; V366-L368 HydrophobicContact CG1-CD2 3.8Å; V366-L368 HydrophobicContact CG1-CG 4.49Å; V366-L368 PolarHBondContact O-N 2.64Å | ||
| 367 | P | 94.3 | Very high | 93.9 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 121 | 174.5 | 28.4 | -32.4 | 0 | 0 | 0 | 110.6 | L17 L359 Q404 Y407 | L17-P367 HydrophobicContact CD1-CG 4.32Å; L17-P367 HydrophobicContact CD2-CG 4.5Å; L359-P367 HydrophobicContact CD1-CB 4.1Å; L359-P367 HydrophobicContact CD2-CB 4.37Å; P367-Q404 PolarHBondContact O-NE2 3.42Å; P367-Y407 HydrophobicContact CB-CE1 4.37Å; P367-Y407 HydrophobicContact CG-CE1 4.23Å |
| 368 | L | 95.8 | Very high | 93.9 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.6 | 178.9 | -56.2 | 179 | 0 | 0 | 0 | 109.9 | T21 I360 V366 L398 P399 | T21-L368 HydrophobicContact CG2-CD2 3.69Å; I360-L368 PolarHBondContact N-O 2.97Å; I360-L368 WeakPolarHBondContact O-CB 3.35Å; I360-L368 PolarHBondContact O-N 3.1Å; V366-L368 HydrophobicContact CG1-CD2 3.8Å; V366-L368 HydrophobicContact CG1-CG 4.49Å; V366-L368 PolarHBondContact O-N 2.64Å; L368-L398 HydrophobicContact CB-CD1 3.65Å; L368-L398 HydrophobicContact CB-CG 4.3Å; L368-L398 HydrophobicContact CD1-CD1 4.49Å; L368-L398 HydrophobicContact CD1-CG 4.25Å; L368-P399 HydrophobicContact CB-CB 4.48Å; L368-P399 HydrophobicContact CD2-CB 4.17Å; L368-P399 HydrophobicContact CD2-CG 4.25Å |
| 369 | L | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -84.1 | 122.3 | 173.1 | -161.6 | 76.9 | 0 | 0 | 0 | 110 | P329 T333 L355 L359 P399 H400 G403 | P329-L369 HydrophobicContact CB-CD1 3.76Å; P329-L369 HydrophobicContact CB-CD2 4.44Å; P329-L369 HydrophobicContact CB-CG 4.18Å; T333-L369 HydrophobicContact CG2-CD2 4.18Å; L355-L369 HydrophobicContact CD1-CD1 3.52Å; L355-L369 HydrophobicContact CG-CD1 4.13Å; L359-L369 HydrophobicContact CD2-CB 4.03Å; L359-L369 HydrophobicContact CD2-CD1 3.64Å; L359-L369 HydrophobicContact CD2-CG 4.48Å; L359-L369 HydrophobicContact CG-CD1 4.42Å; L369-P399 CarbonylContact O-C 3.58Å; L369-P399 WeakPolarHBondContact O-CA 3.27Å; L369-H400 PolarHBondContact O-N 3.38Å; L369-G403 VanDerWaalsContact CD2-C 3.44Å | ||
| 370 | P | 96.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | trans | -73.3 | 163.6 | 172.1 | 30.9 | -32.7 | 0 | 0 | 0 | 111.3 | P329 I360 Y373 P394 L398 | P329-P370 HydrophobicContact CG-CG 4.27Å; I360-P370 HydrophobicContact CD1-CB 4.01Å; I360-P370 HydrophobicContact CD1-CG 4.1Å; I360-P370 HydrophobicContact CG1-CG 4.41Å; P370-Y373 HydrophobicContact CG-CD2 4.27Å; P370-Y373 HydrophobicContact CG-CE2 3.46Å; P370-Y373 VanDerWaalsContact CG-CE2 3.46Å; P370-P394 HydrophobicContact CB-CB 4.13Å; P370-P394 HydrophobicContact CG-CB 4.33Å; P370-L398 HydrophobicContact CB-CD1 4.11Å | ||
| 371 | E | 96.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.023 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -62.7 | -54 | 172 | -173 | -177.6 | 174.8 | 0 | 0 | 111.2 | Y301 K302 W328 G396 K397 H400 | Y301-E371 PolarHBondContact OH-OE1 3.36Å; K302-E371 IonicContact NZ-OE1 3.05Å; K302-E371 PolarHBondContact NZ-OE1 3.42Å; K302-E371 IonicContact NZ-OE2 3.53Å; K302-E371 PolarHBondContact NZ-OE2 3.25Å; W328-E371 HydrophobicContact CE3-CG 4.19Å; W328-E371 VanDerWaalsContact CE3-O 3.26Å; W328-E371 HydrophobicContact CH2-CG 3.58Å; W328-E371 WeakPolarHBondContact CH2-OE1 3.37Å; W328-E371 HydrophobicContact CZ2-CG 4.28Å; W328-E371 HydrophobicContact CZ3-CG 3.53Å; E371-G396 WeakPolarHBondContact OE2-CA 3.48Å; E371-K397 HydrophobicContact CB-CB 4.14Å; E371-K397 PolarHBondContact N-O 2.74Å; E371-K397 WeakPolarHBondContact OE2-CG 3.45Å; E371-K397 PolarHBondContact OE2-N 2.59Å; E371-H400 HydrophobicContact CB-CB 4.13Å |
| 372 | L | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 172.5 | -176.5 | 56 | 71.4 | 0 | 0 | 0 | 113.8 | Y301 K302 C326 E327 W328 P394 M395 | Y301-L372 HydrophobicContact CD1-CD2 3.91Å; Y301-L372 HydrophobicContact CE1-CD2 4.05Å; K302-L372 HydrophobicContact CB-CD1 4.32Å; K302-L372 HydrophobicContact CB-CD2 4.09Å; K302-L372 HydrophobicContact CD-CD1 4.5Å; K302-L372 HydrophobicContact CD-CD2 4.02Å; C326-L372 HydrophobicContact CB-CB 4.2Å; C326-L372 HydrophobicContact CB-CD1 4.05Å; C326-L372 HydrophobicContact CB-CD2 3.7Å; C326-L372 HydrophobicContact CB-CG 4.21Å; E327-L372 CarbonylContact O-C 3.57Å; E327-L372 VanDerWaalsContact O-CA 3.3Å; E327-L372 WeakPolarHBondContact O-CA 3.46Å; E327-L372 WeakPolarHBondContact O-CB 3.24Å; W328-L372 HydrophobicContact CD2-CB 4.09Å; W328-L372 HydrophobicContact CG-CB 4.04Å; W328-L372 HydrophobicContact CZ2-CD2 3.72Å; L372-P394 WeakPolarHBondContact O-CA 3.22Å; L372-M395 HydrophobicContact CD1-CB 3.62Å; L372-M395 PolarHBondContact N-O 3.14Å; L372-M395 PolarHBondContact O-N 2.99Å |
| 373 | Y | 98.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.3 | 175 | -83.1 | -91.4 | 0 | 0 | 0 | 110.8 | Y291 C326 E327 P329 V358 P370 R392 V393 P394 | Y291-Y373 AromaticContact CD1-CD1 3.44Å; Y291-Y373 HydrophobicContact CD1-CD1 3.44Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.44Å; Y291-Y373 HydrophobicContact CD1-CD2 4.15Å; Y291-Y373 AromaticContact CD1-CE1 3.68Å; Y291-Y373 HydrophobicContact CD1-CE1 3.68Å; Y291-Y373 HydrophobicContact CD1-CE2 4.35Å; Y291-Y373 AromaticContact CD1-CG 3.71Å; Y291-Y373 HydrophobicContact CD1-CG 3.71Å; Y291-Y373 AromaticContact CE1-CD1 3.87Å; Y291-Y373 HydrophobicContact CE1-CD1 3.87Å; Y291-Y373 AromaticContact CE1-CE1 3.99Å; Y291-Y373 HydrophobicContact CE1-CE1 3.99Å; Y291-Y373 AromaticContact CG-CD1 3.99Å; Y291-Y373 HydrophobicContact CG-CD1 3.99Å; Y291-Y373 HydrophobicContact CG-CD2 4.32Å; Y291-Y373 AromaticContact CG-CG 3.84Å; Y291-Y373 HydrophobicContact CG-CG 3.84Å; C326-Y373 WeakPolarHBondContact CA-O 3.33Å; E327-Y373 PolarHBondContact N-O 2.99Å; E327-Y373 PolarHBondContact O-N 3.19Å; P329-Y373 HydrophobicContact CG-CD2 3.75Å; P329-Y373 HydrophobicContact CG-CE2 3.77Å; V358-Y373 HydrophobicContact CB-CE2 4Å; V358-Y373 PolarHBondContact O-OH 3.14Å; P370-Y373 HydrophobicContact CG-CD2 4.27Å; P370-Y373 HydrophobicContact CG-CE2 3.46Å; P370-Y373 VanDerWaalsContact CG-CE2 3.46Å; Y373-R392 HydrophobicContact CD1-CB 4.15Å; Y373-R392 HydrophobicContact CG-CB 4.49Å; Y373-R392 PolarHBondContact O-NH1 3.07Å; Y373-V393 WeakPolarHBondContact CA-O 3.42Å; Y373-P394 HydrophobicContact CD1-CB 4.36Å; Y373-P394 HydrophobicContact CE1-CB 3.85Å; Y373-P394 HydrophobicContact CE1-CG 4.25Å |
| 374 | S | 97.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 151.4 | -177.3 | -162.9 | 0 | 0 | 0 | 0 | 111.7 | K302 C326 R392 V393 | K302-S374 PolarHBondContact O-OG 3.01Å; C326-S374 PolarHBondContact SG-OG 3.32Å; C326-S374 VanDerWaalsContact SG-OG 3.32Å; S374-R392 CarbonylContact O-C 3.57Å; S374-R392 WeakPolarHBondContact O-CA 3.3Å; S374-R392 WeakPolarHBondContact O-CB 3.35Å; S374-V393 PolarHBondContact N-O 3.46Å; S374-V393 WeakPolarHBondContact O-CG2 3.43Å; S374-V393 PolarHBondContact O-N 3.34Å |
| 375 | V | 97.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | trans | -66.5 | 138.9 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | P304 I324 V380 E383 V390 | P304-V375 HydrophobicContact CG-CB 4.28Å; P304-V375 WeakPolarHBondContact CG-O 3.44Å; I324-V375 HydrophobicContact CB-CG2 4.26Å; V375-V380 HydrophobicContact CG1-CG2 4.32Å; V375-E383 HydrophobicContact CG1-CB 4.2Å; V375-E383 HydrophobicContact CG2-CG 4.19Å; V375-V390 HydrophobicContact CG1-CB 4.5Å; V375-V390 HydrophobicContact CG1-CG1 4.05Å | ||
| 376 | P | 96.8 | Very high | 95.8 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 10% | 0.104 | 23% | 0.23 | C | C | . | . | trans | -59.9 | 132.5 | 172.5 | -24.4 | 35.2 | 0 | 0 | 0 | 111.4 | D378 R379 V380 V390 D391 V393 | P376-D378 WeakPolarHBondContact CB-OD1 3.5Å; P376-D378 PolarHBondContact O-N 3.29Å; P376-D378 VanDerWaalsContact O-N 3.08Å; P376-R379 HydrophobicContact CB-CB 4.33Å; P376-R379 HydrophobicContact CB-CG 4.38Å; P376-R379 PolarHBondContact O-N 3.04Å; P376-V380 PolarHBondContact O-N 3.42Å; P376-V390 HydrophobicContact CG-CG1 4.42Å; P376-D391 VanDerWaalsContact CD-O 3.32Å; P376-D391 WeakPolarHBondContact CD-O 3.48Å; P376-D391 WeakPolarHBondContact CG-O 3.34Å; P376-V393 HydrophobicContact CG-CG1 4.29Å | ||
| 377 | P | 94.6 | Very high | 95.8 | Very high | 101 Ų | 101 | 46.4 Ų | 46.4 | 66% | 0.656 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.7 | -176.6 | -27.4 | 35.1 | 0 | 0 | 0 | 115.2 | P304 | P304-P377 HydrophobicContact CB-CB 4.13Å; P304-P377 HydrophobicContact CB-CG 4.17Å; P304-P377 HydrophobicContact CG-CG 4.44Å |
| 378 | D | 96.1 | Very high | 95.6 | Very high | 137 Ų | 137 | 48.6 Ų | 48.6 | 73% | 0.733 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.4 | 177.1 | 59.1 | -53.3 | 0 | 0 | 0 | 114.2 | P376 | P376-D378 WeakPolarHBondContact CB-OD1 3.5Å; P376-D378 PolarHBondContact O-N 3.29Å; P376-D378 VanDerWaalsContact O-N 3.08Å |
| 379 | R | 96.3 | Very high | 95.5 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -117.7 | 10.7 | -177.4 | -61.5 | -172.7 | 70.2 | -168.9 | 1.8 | 114.4 | P376 D381 E382 E383 V390 | P376-R379 HydrophobicContact CB-CB 4.33Å; P376-R379 HydrophobicContact CB-CG 4.38Å; P376-R379 PolarHBondContact O-N 3.04Å; R379-D381 VanDerWaalsContact C-N 3.32Å; R379-D381 PolarHBondContact O-N 3.11Å; R379-E382 IonicContact CZ-OE1 3.08Å; R379-E382 IonicContact CZ-OE2 3.8Å; R379-E382 VanDerWaalsContact CZ-OE2 3.23Å; R379-E382 IonicContact NE-OE2 3.61Å; R379-E382 PolarHBondContact NE-OE2 2.78Å; R379-E382 IonicContact NH2-OE1 2.71Å; R379-E382 PolarHBondContact NH2-OE1 3.18Å; R379-E382 IonicContact NH2-OE2 3.81Å; R379-E382 PolarHBondContact NH2-OE2 2.92Å; R379-E382 WeakPolarHBondContact O-CB 3.4Å; R379-E382 PolarHBondContact O-N 3.46Å; R379-E382 VanDerWaalsContact O-N 3.16Å; R379-E383 PolarHBondContact O-N 3.28Å; R379-V390 HydrophobicContact CB-CG1 3.75Å; R379-V390 HydrophobicContact CB-CG2 4.36Å |
| 380 | V | 95.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | -178.9 | 179.6 | 0 | 0 | 0 | 0 | 112.6 | P304 K305 I324 V375 P376 E382 E383 Y384 | P304-V380 HydrophobicContact CB-CG2 3.62Å; P304-V380 HydrophobicContact CG-CG2 3.82Å; K305-V380 HydrophobicContact CG-CG1 4.44Å; I324-V380 HydrophobicContact CD1-CG1 4.15Å; I324-V380 HydrophobicContact CG2-CG1 4.2Å; V375-V380 HydrophobicContact CG1-CG2 4.32Å; P376-V380 PolarHBondContact O-N 3.42Å; V380-E382 PolarHBondContact O-N 3.41Å; V380-E383 PolarHBondContact O-N 3.05Å; V380-Y384 HydrophobicContact CG1-CD2 4Å; V380-Y384 HydrophobicContact CG1-CE1 4.45Å; V380-Y384 HydrophobicContact CG1-CE2 3.5Å; V380-Y384 VanDerWaalsContact CG1-CE2 3.5Å; V380-Y384 PolarHBondContact O-N 2.91Å |
| 381 | D | 95.6 | Very high | 95.6 | Very high | 104 Ų | 104 | 54.9 Ų | 54.9 | 56% | 0.556 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71 | -19.6 | -178.8 | -61.2 | -19.1 | 0 | 0 | 0 | 112.7 | R379 Q385 | R379-D381 VanDerWaalsContact C-N 3.32Å; R379-D381 PolarHBondContact O-N 3.11Å; D381-Q385 VanDerWaalsContact O-CG 3.31Å; D381-Q385 WeakPolarHBondContact O-CG 3.46Å; D381-Q385 PolarHBondContact O-NE2 3.46Å |
| 382 | E | 95.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 36% | 0.36 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -76.8 | -44.4 | 172.1 | -173.9 | -175.5 | 172.2 | 0 | 0 | 110.8 | R379 V380 Y384 Q385 N386 V390 | R379-E382 IonicContact CZ-OE1 3.08Å; R379-E382 IonicContact CZ-OE2 3.8Å; R379-E382 VanDerWaalsContact CZ-OE2 3.23Å; R379-E382 IonicContact NE-OE2 3.61Å; R379-E382 PolarHBondContact NE-OE2 2.78Å; R379-E382 IonicContact NH2-OE1 2.71Å; R379-E382 PolarHBondContact NH2-OE1 3.18Å; R379-E382 IonicContact NH2-OE2 3.81Å; R379-E382 PolarHBondContact NH2-OE2 2.92Å; R379-E382 WeakPolarHBondContact O-CB 3.4Å; R379-E382 PolarHBondContact O-N 3.46Å; R379-E382 VanDerWaalsContact O-N 3.16Å; V380-E382 PolarHBondContact O-N 3.41Å; E382-Y384 PolarHBondContact O-N 3.39Å; E382-Q385 PolarHBondContact O-N 3.04Å; E382-Q385 VanDerWaalsContact O-N 3.12Å; E382-N386 PolarHBondContact O-N 3.46Å; E382-V390 HydrophobicContact CB-CG2 3.96Å; E382-V390 HydrophobicContact CG-CG2 3.88Å |
| 383 | E | 95.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 176.9 | -172.4 | 72 | 167.4 | 0 | 0 | 111.8 | I324 V375 R379 V380 Q385 N386 P387 H388 T389 V390 R392 | I324-E383 HydrophobicContact CG2-CB 4.36Å; I324-E383 HydrophobicContact CG2-CG 4.03Å; V375-E383 HydrophobicContact CG1-CB 4.2Å; V375-E383 HydrophobicContact CG2-CG 4.19Å; R379-E383 PolarHBondContact O-N 3.28Å; V380-E383 PolarHBondContact O-N 3.05Å; E383-Q385 VanDerWaalsContact C-N 3.29Å; E383-Q385 PolarHBondContact O-N 2.67Å; E383-N386 CarbonylContact O-C 3.57Å; E383-N386 PolarHBondContact O-N 2.88Å; E383-P387 VanDerWaalsContact O-CA 3.24Å; E383-P387 WeakPolarHBondContact O-CA 3.45Å; E383-H388 VanDerWaalsContact CD-N 3.27Å; E383-H388 WeakPolarHBondContact OE1-CA 3.42Å; E383-H388 PolarHBondContact OE1-N 2.71Å; E383-H388 PolarHBondContact OE2-N 3.04Å; E383-T389 PolarHBondContact OE2-N 2.89Å; E383-V390 HydrophobicContact CB-CB 4.22Å; E383-V390 HydrophobicContact CB-CG2 3.84Å; E383-V390 WeakPolarHBondContact OE2-CB 3.49Å; E383-V390 WeakPolarHBondContact OE2-CG2 3Å; E383-V390 PolarHBondContact OE2-N 2.94Å; E383-R392 IonicContact OE1-NH2 2.76Å |
| 384 | Y | 94.7 | Very high | 95.5 | Very high | 77 Ų | 77 | 60.3 Ų | 60.3 | 30% | 0.302 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -31.4 | 172.1 | -70.9 | -39.9 | 0 | 0 | 0 | 113.5 | L320 I324 V380 E382 | L320-Y384 WeakPolarHBondContact O-CE1 3.47Å; L320-Y384 PolarHBondContact O-OH 3.23Å; I324-Y384 HydrophobicContact CD1-CE1 4.28Å; I324-Y384 HydrophobicContact CG1-CE1 4.29Å; I324-Y384 HydrophobicContact CG2-CD1 3.9Å; I324-Y384 HydrophobicContact CG2-CE1 3.62Å; V380-Y384 HydrophobicContact CG1-CD2 4Å; V380-Y384 HydrophobicContact CG1-CE1 4.45Å; V380-Y384 HydrophobicContact CG1-CE2 3.5Å; V380-Y384 VanDerWaalsContact CG1-CE2 3.5Å; V380-Y384 PolarHBondContact O-N 2.91Å; E382-Y384 PolarHBondContact O-N 3.39Å |
| 385 | Q | 95.1 | Very high | 95.3 | Very high | 147 Ų | 147 | 64.7 Ų | 64.7 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -78.2 | -36.9 | 177.9 | -73.8 | 170.7 | 53.3 | 0 | 0 | 111.6 | D381 E382 E383 | D381-Q385 VanDerWaalsContact O-CG 3.31Å; D381-Q385 WeakPolarHBondContact O-CG 3.46Å; D381-Q385 PolarHBondContact O-NE2 3.46Å; E382-Q385 PolarHBondContact O-N 3.04Å; E382-Q385 VanDerWaalsContact O-N 3.12Å; E383-Q385 VanDerWaalsContact C-N 3.29Å; E383-Q385 PolarHBondContact O-N 2.67Å |
| 386 | N | 94.3 | Very high | 95 | Very high | 88 Ų | 88 | 66.6 Ų | 66.6 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -136.7 | 83.1 | -178.4 | -53.9 | -86.5 | 0 | 0 | 0 | 109.6 | E382 E383 T389 | E382-N386 PolarHBondContact O-N 3.46Å; E383-N386 CarbonylContact O-C 3.57Å; E383-N386 PolarHBondContact O-N 2.88Å; N386-T389 HydrophobicContact CB-CG2 3.87Å; N386-T389 WeakPolarHBondContact CB-OG1 3.37Å; N386-T389 WeakPolarHBondContact O-CB 3.39Å; N386-T389 WeakPolarHBondContact O-CG2 3.49Å; N386-T389 PolarHBondContact O-N 3.27Å; N386-T389 PolarHBondContact O-OG1 3.2Å |
| 387 | P | 92.6 | Very high | 94.8 | Very high | 54 Ų | 54 | 67.1 Ų | 67.1 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 142.6 | -178.3 | -33 | 39 | 0 | 0 | 0 | 114.6 | N323 E383 T389 | N323-P387 HydrophobicContact CB-CB 4.04Å; N323-P387 HydrophobicContact CB-CG 4.12Å; E383-P387 VanDerWaalsContact O-CA 3.24Å; E383-P387 WeakPolarHBondContact O-CA 3.45Å; P387-T389 VanDerWaalsContact C-N 3.26Å; P387-T389 PolarHBondContact O-N 3.36Å |
| 388 | H | 90.1 | Very high | 94.7 | Very high | 85 Ų | 85 | 66.4 Ų | 66.4 | 39% | 0.394 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 16 | 178.8 | -46 | -74.1 | 0 | 0 | 0 | 115.7 | R290 E383 | R290-H388 PolarHBondContact NE-O 2.92Å; E383-H388 VanDerWaalsContact CD-N 3.27Å; E383-H388 WeakPolarHBondContact OE1-CA 3.42Å; E383-H388 PolarHBondContact OE1-N 2.71Å; E383-H388 PolarHBondContact OE2-N 3.04Å |
| 389 | T | 94.2 | Very high | 94.5 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 45% | 0.454 | 32% | 0.322 | S | S | . | . | trans | -100.4 | -24.8 | -177.5 | 66 | 0 | 0 | 0 | 0 | 114.2 | R290 E383 N386 P387 | R290-T389 PolarHBondContact NH2-O 2.86Å; E383-T389 PolarHBondContact OE2-N 2.89Å; N386-T389 HydrophobicContact CB-CG2 3.87Å; N386-T389 WeakPolarHBondContact CB-OG1 3.37Å; N386-T389 WeakPolarHBondContact O-CB 3.39Å; N386-T389 WeakPolarHBondContact O-CG2 3.49Å; N386-T389 PolarHBondContact O-N 3.27Å; N386-T389 PolarHBondContact O-OG1 3.2Å; P387-T389 VanDerWaalsContact C-N 3.26Å; P387-T389 PolarHBondContact O-N 3.36Å | ||
| 390 | V | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -78.3 | 133 | -179.4 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | R290 V375 P376 R379 E382 E383 | R290-V390 PolarHBondContact NH2-O 3.16Å; V375-V390 HydrophobicContact CG1-CB 4.5Å; V375-V390 HydrophobicContact CG1-CG1 4.05Å; P376-V390 HydrophobicContact CG-CG1 4.42Å; R379-V390 HydrophobicContact CB-CG1 3.75Å; R379-V390 HydrophobicContact CB-CG2 4.36Å; E382-V390 HydrophobicContact CB-CG2 3.96Å; E382-V390 HydrophobicContact CG-CG2 3.88Å; E383-V390 HydrophobicContact CB-CB 4.22Å; E383-V390 HydrophobicContact CB-CG2 3.84Å; E383-V390 WeakPolarHBondContact OE2-CB 3.49Å; E383-V390 WeakPolarHBondContact OE2-CG2 3Å; E383-V390 PolarHBondContact OE2-N 2.94Å |
| 391 | D | 96.6 | Very high | 94.4 | Very high | 87 Ų | 87 | 57.8 Ų | 57.8 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 130 | 174.4 | -70.1 | -28 | 0 | 0 | 0 | 111 | R290 Y291 P376 | R290-D391 IonicContact CZ-OD1 3.23Å; R290-D391 VanDerWaalsContact CZ-OD1 3.31Å; R290-D391 IonicContact NH1-OD1 2.79Å; R290-D391 PolarHBondContact NH1-OD1 3.12Å; R290-D391 IonicContact NH2-OD1 3.8Å; R290-D391 PolarHBondContact NH2-OD1 3.34Å; Y291-D391 WeakPolarHBondContact OH-CA 3.26Å; Y291-D391 PolarHBondContact OH-OD1 2.71Å; P376-D391 VanDerWaalsContact CD-O 3.32Å; P376-D391 WeakPolarHBondContact CD-O 3.48Å; P376-D391 WeakPolarHBondContact CG-O 3.34Å |
| 392 | R | 96.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 151.6 | -173.1 | -64.3 | 175 | 173.2 | -102.9 | -0.9 | 111.8 | Y291 E325 E327 Y373 S374 E383 | Y291-R392 HydrophobicContact CD2-CB 3.96Å; Y291-R392 HydrophobicContact CD2-CG 4.09Å; Y291-R392 HydrophobicContact CE2-CB 3.71Å; Y291-R392 HydrophobicContact CE2-CG 3.9Å; Y291-R392 HydrophobicContact CG-CB 4.47Å; Y291-R392 PolarHBondContact OH-N 3.01Å; Y291-R392 VanDerWaalsContact OH-N 3.11Å; E325-R392 VanDerWaalsContact O-CZ 3.28Å; E325-R392 PolarHBondContact O-NH1 3.36Å; E325-R392 PolarHBondContact O-NH2 3.27Å; E325-R392 VanDerWaalsContact O-NH2 3.09Å; E327-R392 VanDerWaalsContact CD-NE 3.34Å; E327-R392 IonicContact OE1-CZ 2.83Å; E327-R392 VanDerWaalsContact OE1-CZ 3.29Å; E327-R392 IonicContact OE1-NE 3.31Å; E327-R392 PolarHBondContact OE1-NE 3.14Å; E327-R392 IonicContact OE1-NH2 3.9Å; E327-R392 PolarHBondContact OE1-NH2 3.37Å; Y373-R392 HydrophobicContact CD1-CB 4.15Å; Y373-R392 HydrophobicContact CG-CB 4.49Å; Y373-R392 PolarHBondContact O-NH1 3.07Å; S374-R392 CarbonylContact O-C 3.57Å; S374-R392 WeakPolarHBondContact O-CA 3.3Å; S374-R392 WeakPolarHBondContact O-CB 3.35Å; E383-R392 IonicContact OE1-NH2 2.76Å |
| 393 | V | 96.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.2 | 176.9 | -69.3 | 0 | 0 | 0 | 0 | 111.3 | Y373 S374 P376 M395 | Y373-V393 WeakPolarHBondContact CA-O 3.42Å; S374-V393 PolarHBondContact N-O 3.46Å; S374-V393 WeakPolarHBondContact O-CG2 3.43Å; S374-V393 PolarHBondContact O-N 3.34Å; P376-V393 HydrophobicContact CG-CG1 4.29Å; V393-M395 HydrophobicContact CG2-CG 4.43Å |
| 394 | P | 96.6 | Very high | 94.5 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 134.2 | 177.8 | 28.6 | -33.3 | 0 | 0 | 0 | 110.6 | I360 P370 L372 Y373 | I360-P394 HydrophobicContact CD1-CB 3.55Å; I360-P394 HydrophobicContact CD1-CG 3.72Å; P370-P394 HydrophobicContact CB-CB 4.13Å; P370-P394 HydrophobicContact CG-CB 4.33Å; L372-P394 WeakPolarHBondContact O-CA 3.22Å; Y373-P394 HydrophobicContact CD1-CB 4.36Å; Y373-P394 HydrophobicContact CE1-CB 3.85Å; Y373-P394 HydrophobicContact CE1-CG 4.25Å |
| 395 | M | 94.1 | Very high | 94.7 | Very high | 97 Ų | 97 | 46 Ų | 46 | 48% | 0.478 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 159.4 | -176.9 | -77.9 | -70.5 | -76.1 | 0 | 0 | 110.9 | L372 V393 | L372-M395 HydrophobicContact CD1-CB 3.62Å; L372-M395 PolarHBondContact N-O 3.14Å; L372-M395 PolarHBondContact O-N 2.99Å; V393-M395 HydrophobicContact CG2-CG 4.43Å |
| 396 | G | 91.4 | Very high | 94.8 | Very high | 41 Ų | 41 | 39 Ų | 39 | 42% | 0.423 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 85.5 | -149.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E371 | E371-G396 WeakPolarHBondContact OE2-CA 3.48Š|
| 397 | K | 91.8 | Very high | 95 | Very high | 27 Ų | 27 | 36 Ų | 36 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | trans | -66 | 134.6 | -175 | -61.2 | 169 | 179.5 | 179.2 | 0 | 111 | E39 E371 H400 | E39-K397 VanDerWaalsContact CD-CE 3.46Å; E39-K397 IonicContact OE1-NZ 2.79Å; E39-K397 WeakPolarHBondContact OE2-CE 3.35Å; E39-K397 IonicContact OE2-NZ 3.33Å; E39-K397 PolarHBondContact OE2-NZ 3.48Å; E371-K397 HydrophobicContact CB-CB 4.14Å; E371-K397 PolarHBondContact N-O 2.74Å; E371-K397 WeakPolarHBondContact OE2-CG 3.45Å; E371-K397 PolarHBondContact OE2-N 2.59Å; K397-H400 HydrophobicContact CB-CB 4.43Å | ||
| 398 | L | 92.2 | Very high | 95.3 | Very high | 85 Ų | 85 | 33.5 Ų | 33.5 | 45% | 0.445 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -144 | 113.1 | 177.4 | -175.1 | 65.9 | 0 | 0 | 0 | 111.5 | I360 L368 P370 | I360-L398 HydrophobicContact CB-CD1 4.28Å; I360-L398 HydrophobicContact CD1-CD1 3.87Å; I360-L398 HydrophobicContact CD1-CD2 3.91Å; I360-L398 HydrophobicContact CG1-CD1 4.47Å; I360-L398 HydrophobicContact CG2-CD2 4.2Å; L368-L398 HydrophobicContact CB-CD1 3.65Å; L368-L398 HydrophobicContact CB-CG 4.3Å; L368-L398 HydrophobicContact CD1-CD1 4.49Å; L368-L398 HydrophobicContact CD1-CG 4.25Å; P370-L398 HydrophobicContact CB-CD1 4.11Å |
| 399 | P | 92.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | S | Bend | cis | -66.3 | 148.4 | -9.9 | 30.4 | -34.5 | 0 | 0 | 0 | 111.8 | T21 L368 L369 M401 Q404 | T21-P399 HydrophobicContact CG2-CG 4.45Å; L368-P399 HydrophobicContact CB-CB 4.48Å; L368-P399 HydrophobicContact CD2-CB 4.17Å; L368-P399 HydrophobicContact CD2-CG 4.25Å; L369-P399 CarbonylContact O-C 3.58Å; L369-P399 WeakPolarHBondContact O-CA 3.27Å; P399-M401 PolarHBondContact O-N 3.4Å; P399-Q404 HydrophobicContact CB-CB 4.19Å; P399-Q404 HydrophobicContact CB-CG 4.17Å |
| 400 | H | 94.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.032 | 15% | 0.148 | C | C | . | . | trans | -77 | 102.2 | 163.3 | 174.8 | -134 | 0 | 0 | 0 | 108.7 | L369 E371 K397 W402 G403 Q404 | L369-H400 PolarHBondContact O-N 3.38Å; E371-H400 HydrophobicContact CB-CB 4.13Å; K397-H400 HydrophobicContact CB-CB 4.43Å; H400-W402 VanDerWaalsContact C-N 3.34Å; H400-W402 PolarHBondContact O-N 2.91Å; H400-G403 PolarHBondContact O-N 3.19Å; H400-G403 VanDerWaalsContact O-N 3.15Å; H400-Q404 WeakPolarHBondContact O-CB 3.46Å; H400-Q404 PolarHBondContact O-N 3.45Å | ||
| 401 | M | 94.7 | Very high | 95.9 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 4% | 0.039 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -34.5 | -165.1 | -75.3 | -178 | -86.2 | 0 | 0 | 114.7 | H25 P34 S50 P399 S405 | H25-M401 HydrophobicContact CB-SD 4.38Å; P34-M401 WeakPolarHBondContact O-CE 3.21Å; S50-M401 VanDerWaalsContact OG-C 3.3Å; S50-M401 VanDerWaalsContact OG-CB 3.3Å; S50-M401 WeakPolarHBondContact OG-CB 3.42Å; P399-M401 PolarHBondContact O-N 3.4Å; M401-S405 VanDerWaalsContact O-CB 3.25Å; M401-S405 WeakPolarHBondContact O-CB 3.25Å; M401-S405 PolarHBondContact O-N 3.44Å |
| 402 | W | 95.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.3 | -56.6 | 172.3 | 173.1 | 1.6 | 0 | 0 | 0 | 111.1 | R45 Y49 S50 I183 L330 Y334 H400 Q404 S405 L406 | R45-W402 HydrophobicContact CG-CH2 4.44Å; R45-W402 HydrophobicContact CG-CZ3 4.36Å; Y49-W402 AromaticContact CD1-CD1 3.87Å; Y49-W402 AromaticContact CD1-NE1 3.48Å; Y49-W402 AromaticContact CD2-CD2 3.98Å; Y49-W402 HydrophobicContact CD2-CD2 3.98Å; Y49-W402 AromaticContact CD2-CE2 3.5Å; Y49-W402 VanDerWaalsContact CD2-CE2 3.5Å; Y49-W402 HydrophobicContact CD2-CG 4.29Å; Y49-W402 AromaticContact CD2-CZ2 3.81Å; Y49-W402 HydrophobicContact CD2-CZ2 3.81Å; Y49-W402 AromaticContact CD2-NE1 3.54Å; Y49-W402 AromaticContact CE1-NE1 3.88Å; Y49-W402 AromaticContact CE2-CE2 3.76Å; Y49-W402 HydrophobicContact CE2-CH2 4.35Å; Y49-W402 AromaticContact CE2-CZ2 3.6Å; Y49-W402 HydrophobicContact CE2-CZ2 3.6Å; Y49-W402 AromaticContact CE2-NE1 3.92Å; Y49-W402 AromaticContact CG-CD1 3.5Å; Y49-W402 HydrophobicContact CG-CD2 4.21Å; Y49-W402 AromaticContact CG-CE2 3.77Å; Y49-W402 HydrophobicContact CG-CG 4.05Å; Y49-W402 HydrophobicContact CG-CZ2 4.46Å; Y49-W402 AromaticContact CG-NE1 3.3Å; Y49-W402 VanDerWaalsContact CG-NE1 3.3Å; S50-W402 PolarHBondContact OG-N 3.23Å; I183-W402 HydrophobicContact CD1-CH2 3.77Å; I183-W402 HydrophobicContact CD1-CZ2 4.35Å; I183-W402 HydrophobicContact CG1-CH2 4.13Å; L330-W402 HydrophobicContact CD1-CD2 4.31Å; L330-W402 HydrophobicContact CD1-CG 4.1Å; L330-W402 HydrophobicContact CD2-CD2 4.19Å; L330-W402 HydrophobicContact CD2-CE3 4.39Å; L330-W402 HydrophobicContact CD2-CH2 4.31Å; L330-W402 HydrophobicContact CD2-CZ2 4.12Å; L330-W402 HydrophobicContact CD2-CZ3 4.44Å; Y334-W402 HydrophobicContact CE2-CZ2 4.46Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.4Å; Y334-W402 PolarHBondContact OH-NE1 2.75Å; Y334-W402 VanDerWaalsContact OH-NE1 3.15Å; H400-W402 VanDerWaalsContact C-N 3.34Å; H400-W402 PolarHBondContact O-N 2.91Å; W402-Q404 PolarHBondContact O-N 3.08Å; W402-S405 WeakPolarHBondContact O-CB 3.48Å; W402-S405 PolarHBondContact O-N 3.37Å; W402-L406 PolarHBondContact O-N 2.84Å; W402-L406 VanDerWaalsContact O-N 3.07Å |
| 403 | G | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.3 | -36 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L330 L369 H400 S405 L406 Y407 | L330-G403 VanDerWaalsContact CD1-CA 3.49Å; L369-G403 VanDerWaalsContact CD2-C 3.44Å; H400-G403 PolarHBondContact O-N 3.19Å; H400-G403 VanDerWaalsContact O-N 3.15Å; G403-S405 VanDerWaalsContact C-N 3.29Å; G403-S405 PolarHBondContact O-N 2.99Å; G403-L406 PolarHBondContact O-N 3.23Å; G403-Y407 WeakPolarHBondContact O-CB 3.31Å; G403-Y407 PolarHBondContact O-N 3.03Å |
| 404 | Q | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -39.8 | 172.4 | -171.8 | 73.6 | 34.3 | 0 | 0 | 111.5 | T21 P367 P399 H400 W402 I408 | T21-Q404 HydrophobicContact CG2-CG 4.4Å; P367-Q404 PolarHBondContact O-NE2 3.42Å; P399-Q404 HydrophobicContact CB-CB 4.19Å; P399-Q404 HydrophobicContact CB-CG 4.17Å; H400-Q404 WeakPolarHBondContact O-CB 3.46Å; H400-Q404 PolarHBondContact O-N 3.45Å; W402-Q404 PolarHBondContact O-N 3.08Å; Q404-I408 HydrophobicContact CG-CD1 4.17Å; Q404-I408 WeakPolarHBondContact O-CD1 3.37Å; Q404-I408 VanDerWaalsContact O-CG1 3.24Å; Q404-I408 WeakPolarHBondContact O-CG1 3.46Å; Q404-I408 PolarHBondContact O-N 3.38Å |
| 405 | S | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.1 | -49 | 177.1 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | Y49 S50 A53 M401 W402 G403 Y407 I408 L409 | Y49-S405 VanDerWaalsContact O-CB 3.23Å; Y49-S405 WeakPolarHBondContact O-CB 3.43Å; Y49-S405 PolarHBondContact O-OG 3Å; S50-S405 PolarHBondContact O-OG 3.24Å; A53-S405 WeakPolarHBondContact CB-OG 3.25Å; A53-S405 PolarHBondContact N-OG 2.89Å; M401-S405 VanDerWaalsContact O-CB 3.25Å; M401-S405 WeakPolarHBondContact O-CB 3.25Å; M401-S405 PolarHBondContact O-N 3.44Å; W402-S405 WeakPolarHBondContact O-CB 3.48Å; W402-S405 PolarHBondContact O-N 3.37Å; G403-S405 VanDerWaalsContact C-N 3.29Å; G403-S405 PolarHBondContact O-N 2.99Å; S405-Y407 VanDerWaalsContact C-N 3.33Å; S405-Y407 PolarHBondContact O-N 3.06Å; S405-I408 PolarHBondContact O-N 3.37Å; S405-I408 VanDerWaalsContact O-N 3.17Å; S405-L409 WeakPolarHBondContact O-CB 3.41Å; S405-L409 PolarHBondContact O-N 3.4Å |
| 406 | L | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -35.9 | 177.3 | -64.9 | -174.8 | 0 | 0 | 0 | 112.6 | Y49 L52 F265 L330 T333 Y334 L337 W402 G403 L409 G410 | Y49-L406 HydrophobicContact CD1-CD2 4.32Å; L52-L406 HydrophobicContact CD1-CD2 4.09Å; F265-L406 HydrophobicContact CE1-CD2 4.16Å; L330-L406 HydrophobicContact CD1-CD1 4.14Å; T333-L406 WeakPolarHBondContact OG1-CB 3.22Å; Y334-L406 HydrophobicContact CD2-CD1 4.14Å; Y334-L406 HydrophobicContact CE1-CD1 4.08Å; Y334-L406 HydrophobicContact CE2-CD1 3.58Å; L337-L406 HydrophobicContact CD1-CB 4.24Å; L337-L406 HydrophobicContact CD1-CD2 3.99Å; W402-L406 PolarHBondContact O-N 2.84Å; W402-L406 VanDerWaalsContact O-N 3.07Å; G403-L406 PolarHBondContact O-N 3.23Å; L406-L409 PolarHBondContact O-N 3.28Å; L406-G410 PolarHBondContact O-N 3.13Å |
| 407 | Y | 97.9 | Very high | 96 | Very high | 25 Ų | 25 | 17.3 Ų | 17.3 | 10% | 0.098 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.2 | -47.7 | 170.5 | 169.1 | -110.8 | 0 | 0 | 0 | 112.1 | L355 L359 P367 G403 S405 N411 | L355-Y407 HydrophobicContact CD2-CD2 3.43Å; L355-Y407 VanDerWaalsContact CD2-CD2 3.43Å; L355-Y407 HydrophobicContact CD2-CE2 3.98Å; L355-Y407 HydrophobicContact CD2-CG 4.37Å; L355-Y407 HydrophobicContact CG-CD2 4.42Å; L359-Y407 HydrophobicContact CD1-CD2 4.47Å; L359-Y407 HydrophobicContact CD1-CE1 4.19Å; L359-Y407 HydrophobicContact CD1-CE2 3.62Å; L359-Y407 VanDerWaalsContact CD1-CZ 3.45Å; L359-Y407 WeakPolarHBondContact CD1-OH 3.46Å; P367-Y407 HydrophobicContact CB-CE1 4.37Å; P367-Y407 HydrophobicContact CG-CE1 4.23Å; G403-Y407 WeakPolarHBondContact O-CB 3.31Å; G403-Y407 PolarHBondContact O-N 3.03Å; S405-Y407 VanDerWaalsContact C-N 3.33Å; S405-Y407 PolarHBondContact O-N 3.06Å; Y407-N411 WeakPolarHBondContact CD2-ND2 3.34Å; Y407-N411 WeakPolarHBondContact CE2-ND2 3.36Å; Y407-N411 VanDerWaalsContact CZ-ND2 3.27Å; Y407-N411 PolarHBondContact O-N 3.44Å; Y407-N411 PolarHBondContact O-ND2 3.39Å |
| 408 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 178.8 | -68.4 | 164.9 | 0 | 0 | 0 | 110.7 | Y14 L17 V18 I22 A53 Q404 S405 N411 L412 | Y14-I408 HydrophobicContact CD1-CG2 4.06Å; L17-I408 HydrophobicContact CD2-CD1 3.99Å; L17-I408 HydrophobicContact CD2-CG1 3.73Å; L17-I408 HydrophobicContact CG-CD1 3.86Å; L17-I408 HydrophobicContact CG-CG1 4.2Å; V18-I408 HydrophobicContact CG2-CD1 3.93Å; V18-I408 HydrophobicContact CG2-CG2 3.94Å; I22-I408 HydrophobicContact CD1-CD1 4.24Å; A53-I408 HydrophobicContact CB-CB 3.88Å; A53-I408 HydrophobicContact CB-CD1 4.39Å; A53-I408 HydrophobicContact CB-CG2 3.84Å; Q404-I408 HydrophobicContact CG-CD1 4.17Å; Q404-I408 WeakPolarHBondContact O-CD1 3.37Å; Q404-I408 VanDerWaalsContact O-CG1 3.24Å; Q404-I408 WeakPolarHBondContact O-CG1 3.46Å; Q404-I408 PolarHBondContact O-N 3.38Å; S405-I408 PolarHBondContact O-N 3.37Å; S405-I408 VanDerWaalsContact O-N 3.17Å; I408-N411 PolarHBondContact O-N 3.04Å; I408-L412 HydrophobicContact CG2-CD1 4.11Å; I408-L412 WeakPolarHBondContact O-CG 3.31Å; I408-L412 PolarHBondContact O-N 3.12Å |
| 409 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 178.9 | -179.6 | 62.3 | 0 | 0 | 0 | 112 | L52 F265 L337 S405 L406 N411 L412 M413 L418 I423 | L52-L409 HydrophobicContact CB-CD2 4.17Å; F265-L409 HydrophobicContact CE1-CD2 4.29Å; F265-L409 HydrophobicContact CZ-CD2 4.16Å; L337-L409 HydrophobicContact CD2-CG 4.45Å; S405-L409 WeakPolarHBondContact O-CB 3.41Å; S405-L409 PolarHBondContact O-N 3.4Å; L406-L409 PolarHBondContact O-N 3.28Å; L409-N411 VanDerWaalsContact C-N 3.3Å; L409-N411 PolarHBondContact O-N 3.06Å; L409-L412 PolarHBondContact O-N 3.35Å; L409-M413 HydrophobicContact CD1-SD 4.28Å; L409-M413 HydrophobicContact CG-SD 4.18Å; L409-M413 WeakPolarHBondContact O-CG 3.48Å; L409-M413 PolarHBondContact O-N 3.04Å; L409-L418 HydrophobicContact CD1-CD1 3.95Å; L409-I423 HydrophobicContact CD1-CD1 3.83Å; L409-I423 HydrophobicContact CD1-CG1 4.09Å; L409-I423 HydrophobicContact CD2-CG2 4.31Å |
| 410 | G | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.6 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I340 L406 A414 | I340-G410 WeakPolarHBondContact CD1-O 3.46Å; L406-G410 PolarHBondContact O-N 3.13Å; G410-A414 VanDerWaalsContact O-CB 3.22Å; G410-A414 WeakPolarHBondContact O-CB 3.4Å; G410-A414 PolarHBondContact O-N 3.28Å |
| 411 | N | 97.1 | Very high | 96.5 | Very high | 12 Ų | 12 | 16.2 Ų | 16.2 | 6% | 0.064 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.2 | -44.1 | 173.1 | -76.8 | -64.6 | 0 | 0 | 0 | 112.9 | Y14 R352 Y407 I408 L409 M413 A414 E415 | Y14-N411 HydrophobicContact CE1-CB 4.11Å; Y14-N411 WeakPolarHBondContact OH-CB 3.44Å; R352-N411 PolarHBondContact NE-OD1 3.36Å; R352-N411 PolarHBondContact NH2-OD1 2.88Å; Y407-N411 WeakPolarHBondContact CD2-ND2 3.34Å; Y407-N411 WeakPolarHBondContact CE2-ND2 3.36Å; Y407-N411 VanDerWaalsContact CZ-ND2 3.27Å; Y407-N411 PolarHBondContact O-N 3.44Å; Y407-N411 PolarHBondContact O-ND2 3.39Å; I408-N411 PolarHBondContact O-N 3.04Å; L409-N411 VanDerWaalsContact C-N 3.3Å; L409-N411 PolarHBondContact O-N 3.06Å; N411-M413 PolarHBondContact O-N 3.46Å; N411-A414 PolarHBondContact O-N 3.49Å; N411-E415 WeakPolarHBondContact O-CB 3.25Å; N411-E415 VanDerWaalsContact O-CG 3.27Å; N411-E415 WeakPolarHBondContact O-CG 3.45Å; N411-E415 PolarHBondContact O-N 3.16Å |
| 412 | L | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58 | -39.2 | 176.7 | -75.1 | 168.5 | 0 | 0 | 0 | 111.8 | L11 Y14 L57 I408 L409 F417 L418 | L11-L412 HydrophobicContact CD2-CD2 4.05Å; Y14-L412 HydrophobicContact CD1-CD2 4.3Å; Y14-L412 HydrophobicContact CD1-CG 4.41Å; Y14-L412 HydrophobicContact CD2-CD2 3.5Å; Y14-L412 HydrophobicContact CD2-CG 4.41Å; Y14-L412 HydrophobicContact CE2-CD2 3.82Å; Y14-L412 HydrophobicContact CG-CD2 3.77Å; Y14-L412 HydrophobicContact CG-CG 4.35Å; L57-L412 HydrophobicContact CB-CD1 4.16Å; L57-L412 HydrophobicContact CD1-CD1 4.39Å; L57-L412 HydrophobicContact CD1-CD2 4.26Å; I408-L412 HydrophobicContact CG2-CD1 4.11Å; I408-L412 WeakPolarHBondContact O-CG 3.31Å; I408-L412 PolarHBondContact O-N 3.12Å; L409-L412 PolarHBondContact O-N 3.35Å; L412-F417 HydrophobicContact CD2-CB 4.36Å; L412-F417 HydrophobicContact CD2-CD2 4.13Å; L412-F417 HydrophobicContact CD2-CG 4.44Å; L412-F417 WeakPolarHBondContact O-CB 3.49Å; L412-F417 PolarHBondContact O-N 3.44Å; L412-L418 HydrophobicContact CB-CD1 3.83Å; L412-L418 HydrophobicContact CB-CG 4.49Å; L412-L418 HydrophobicContact CD1-CD1 4.36Å; L412-L418 PolarHBondContact O-N 3.42Å |
| 413 | M | 97.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 18 Ų | 18 | 4% | 0.044 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.8 | -47.7 | 176.1 | -68.3 | 174.9 | 71.7 | 0 | 0 | 112.3 | L337 I340 F341 L409 N411 E415 G416 L418 P420 I423 | L337-M413 HydrophobicContact CD2-SD 3.8Å; I340-M413 HydrophobicContact CD1-CB 3.89Å; I340-M413 HydrophobicContact CG2-CB 4.14Å; I340-M413 HydrophobicContact CG2-CE 3.77Å; F341-M413 HydrophobicContact CD2-CE 4.41Å; F341-M413 HydrophobicContact CE1-CE 4.46Å; F341-M413 HydrophobicContact CE2-CE 3.73Å; F341-M413 HydrophobicContact CZ-CE 3.76Å; L409-M413 HydrophobicContact CD1-SD 4.28Å; L409-M413 HydrophobicContact CG-SD 4.18Å; L409-M413 WeakPolarHBondContact O-CG 3.48Å; L409-M413 PolarHBondContact O-N 3.04Å; N411-M413 PolarHBondContact O-N 3.46Å; M413-E415 PolarHBondContact O-N 2.98Å; M413-G416 PolarHBondContact O-N 2.83Å; M413-L418 HydrophobicContact CG-CB 3.76Å; M413-L418 HydrophobicContact CG-CD1 4.21Å; M413-P420 HydrophobicContact CE-CG 4.5Å; M413-I423 HydrophobicContact SD-CB 4.4Å; M413-I423 HydrophobicContact SD-CG1 4.13Å; M413-I423 HydrophobicContact SD-CG2 4.39Å |
| 414 | A | 96.1 | Very high | 96.6 | Very high | 36 Ų | 36 | 18 Ų | 18 | 30% | 0.298 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -65.1 | -23.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I340 V348 G410 N411 G416 | I340-A414 HydrophobicContact CD1-CB 3.96Å; I340-A414 HydrophobicContact CG1-CB 4.49Å; V348-A414 HydrophobicContact CG1-CB 4.13Å; G410-A414 VanDerWaalsContact O-CB 3.22Å; G410-A414 WeakPolarHBondContact O-CB 3.4Å; G410-A414 PolarHBondContact O-N 3.28Å; N411-A414 PolarHBondContact O-N 3.49Å; A414-G416 VanDerWaalsContact C-N 3.34Å |
| 415 | E | 94.3 | Very high | 96.5 | Very high | 53 Ų | 53 | 19.5 Ų | 19.5 | 25% | 0.248 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.9 | 172.7 | -65.9 | -173 | 172.6 | 0 | 0 | 113.7 | R10 Y14 R352 N411 M413 F417 | R10-E415 IonicContact CZ-OE1 2.64Å; R10-E415 IonicContact CZ-OE2 3.66Å; R10-E415 IonicContact NE-OE2 3.32Å; R10-E415 PolarHBondContact NE-OE2 2.69Å; R10-E415 VanDerWaalsContact NE-OE2 3.08Å; R10-E415 IonicContact NH1-OE2 2.78Å; R10-E415 IonicContact NH2-OE1 3.83Å; R10-E415 PolarHBondContact NH2-OE1 3.35Å; R10-E415 IonicContact NH2-OE2 2.62Å; R10-E415 PolarHBondContact NH2-OE2 2.84Å; Y14-E415 PolarHBondContact OH-OE1 3.13Å; Y14-E415 PolarHBondContact OH-OE2 2.91Å; Y14-E415 VanDerWaalsContact OH-OE2 3.12Å; R352-E415 IonicContact NH2-OE1 3.29Å; N411-E415 WeakPolarHBondContact O-CB 3.25Å; N411-E415 VanDerWaalsContact O-CG 3.27Å; N411-E415 WeakPolarHBondContact O-CG 3.45Å; N411-E415 PolarHBondContact O-N 3.16Å; M413-E415 PolarHBondContact O-N 2.98Å; E415-F417 HydrophobicContact CB-CD2 3.85Å; E415-F417 HydrophobicContact CB-CE2 3.91Å; E415-F417 PolarHBondContact O-N 3.44Å; E415-F417 WeakPolarHBondContact OE2-CE2 3.32Å |
| 416 | G | 93.7 | Very high | 96.4 | Very high | 54 Ų | 54 | 22.2 Ų | 22.2 | 56% | 0.557 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 8.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | M413 A414 L418 | M413-G416 PolarHBondContact O-N 2.83Å; A414-G416 VanDerWaalsContact C-N 3.34Å; G416-L418 VanDerWaalsContact C-N 3.27Å; G416-L418 PolarHBondContact O-N 3.46Å |
| 417 | F | 95.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 26 Ų | 26 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -65.8 | -35.5 | 173.2 | -68.5 | -72.3 | 0 | 0 | 0 | 111.4 | R10 L11 Y14 A60 K63 L412 E415 | R10-F417 HydrophobicContact CB-CE2 4.28Å; R10-F417 HydrophobicContact CB-CZ 3.75Å; L11-F417 HydrophobicContact CD1-CD1 4.27Å; L11-F417 HydrophobicContact CD1-CE1 4.31Å; L11-F417 HydrophobicContact CD2-CD1 3.76Å; L11-F417 HydrophobicContact CD2-CD2 4.43Å; L11-F417 HydrophobicContact CD2-CE1 4.02Å; L11-F417 HydrophobicContact CD2-CG 3.99Å; L11-F417 HydrophobicContact CD2-CZ 4.47Å; L11-F417 HydrophobicContact CG-CD1 4.03Å; L11-F417 HydrophobicContact CG-CE1 3.88Å; L11-F417 HydrophobicContact CG-CZ 4.43Å; Y14-F417 HydrophobicContact CE2-CE2 4.25Å; A60-F417 HydrophobicContact CB-CB 4.17Å; K63-F417 VanDerWaalsContact CD-O 3.22Å; K63-F417 WeakPolarHBondContact CD-O 3.4Å; K63-F417 PolarHBondContact NZ-O 3.03Å; L412-F417 HydrophobicContact CD2-CB 4.36Å; L412-F417 HydrophobicContact CD2-CD2 4.13Å; L412-F417 HydrophobicContact CD2-CG 4.44Å; L412-F417 WeakPolarHBondContact O-CB 3.49Å; L412-F417 PolarHBondContact O-N 3.44Å; E415-F417 HydrophobicContact CB-CD2 3.85Å; E415-F417 HydrophobicContact CB-CE2 3.91Å; E415-F417 PolarHBondContact O-N 3.44Å; E415-F417 WeakPolarHBondContact OE2-CE2 3.32Å |
| 418 | L | 96.3 | Very high | 96 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -121.8 | 136.8 | 179.3 | -65.4 | 166.9 | 0 | 0 | 0 | 110.5 | L59 A60 L409 L412 M413 G416 E422 I423 | L59-L418 HydrophobicContact CB-CD2 3.87Å; A60-L418 HydrophobicContact CB-CD2 4.08Å; A60-L418 HydrophobicContact CB-CG 4.18Å; L409-L418 HydrophobicContact CD1-CD1 3.95Å; L412-L418 HydrophobicContact CB-CD1 3.83Å; L412-L418 HydrophobicContact CB-CG 4.49Å; L412-L418 HydrophobicContact CD1-CD1 4.36Å; L412-L418 PolarHBondContact O-N 3.42Å; M413-L418 HydrophobicContact CG-CB 3.76Å; M413-L418 HydrophobicContact CG-CD1 4.21Å; G416-L418 VanDerWaalsContact C-N 3.27Å; G416-L418 PolarHBondContact O-N 3.46Å; L418-E422 WeakPolarHBondContact CA-OE2 3.41Å; L418-E422 HydrophobicContact CD2-CB 4.49Å; L418-I423 HydrophobicContact CD1-CD1 4.07Å; L418-I423 HydrophobicContact CD1-CG1 4.16Å |
| 419 | A | 95.5 | Very high | 95.8 | Very high | 44 Ų | 44 | 27.8 Ų | 27.8 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | trans | -91.6 | 153.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | G421 E422 | A419-G421 VanDerWaalsContact C-N 3.26Å; A419-G421 PolarHBondContact O-N 2.92Å; A419-G421 VanDerWaalsContact O-N 3.14Å; A419-E422 HydrophobicContact CB-CG 4.48Å; A419-E422 PolarHBondContact N-OE2 2.77Å; A419-E422 WeakPolarHBondContact O-CB 3.35Å; A419-E422 PolarHBondContact O-N 3.23Å | ||
| 420 | P | 95.9 | Very high | 95.5 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 25% | 0.253 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -49.1 | -41.4 | 178.2 | -32.6 | 37.8 | 0 | 0 | 0 | 114.9 | I340 F341 M413 E422 I423 D424 | I340-P420 HydrophobicContact CG2-CG 4.34Å; F341-P420 HydrophobicContact CD1-CB 3.76Å; F341-P420 HydrophobicContact CE1-CB 3.66Å; M413-P420 HydrophobicContact CE-CG 4.5Å; P420-E422 VanDerWaalsContact C-N 3.25Å; P420-E422 PolarHBondContact O-N 3.46Å; P420-I423 PolarHBondContact O-N 2.87Å; P420-D424 PolarHBondContact O-N 2.81Å |
| 421 | G | 95.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 34.3 Ų | 34.3 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.3 | -9.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A419 D424 P425 | A419-G421 VanDerWaalsContact C-N 3.26Å; A419-G421 PolarHBondContact O-N 2.92Å; A419-G421 VanDerWaalsContact O-N 3.14Å; G421-D424 CarbonylContact O-C 3.58Å; G421-P425 WeakPolarHBondContact O-CA 3.41Å |
| 422 | E | 95.1 | Very high | 94.7 | Very high | 56 Ų | 56 | 36.3 Ų | 36.3 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -85.4 | -22.7 | 173.4 | -64.6 | 174.9 | 107.7 | 0 | 0 | 111.9 | L59 K63 L418 A419 P420 | L59-E422 WeakPolarHBondContact CD1-O 3.49Å; K63-E422 VanDerWaalsContact CD-OE1 3.27Å; K63-E422 WeakPolarHBondContact CD-OE1 3.16Å; K63-E422 WeakPolarHBondContact CE-OE1 3.45Å; K63-E422 WeakPolarHBondContact CE-OE2 3.21Å; K63-E422 IonicContact NZ-OE1 2.77Å; K63-E422 IonicContact NZ-OE2 3.97Å; K63-E422 PolarHBondContact NZ-OE2 3.37Å; L418-E422 WeakPolarHBondContact CA-OE2 3.41Å; L418-E422 HydrophobicContact CD2-CB 4.49Å; A419-E422 HydrophobicContact CB-CG 4.48Å; A419-E422 PolarHBondContact N-OE2 2.77Å; A419-E422 WeakPolarHBondContact O-CB 3.35Å; A419-E422 PolarHBondContact O-N 3.23Å; P420-E422 VanDerWaalsContact C-N 3.25Å; P420-E422 PolarHBondContact O-N 3.46Å |
| 423 | I | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -103.4 | -18.2 | 178.6 | -64.1 | -60.3 | 0 | 0 | 0 | 111.8 | W55 L59 F265 F341 L409 M413 L418 P420 P425 | W55-I423 HydrophobicContact CE3-CD1 4.19Å; W55-I423 HydrophobicContact CH2-CD1 4.4Å; W55-I423 WeakPolarHBondContact CH2-O 3.47Å; W55-I423 HydrophobicContact CZ3-CD1 4.02Å; W55-I423 HydrophobicContact CZ3-CG2 4.22Å; L59-I423 HydrophobicContact CD1-CD1 3.94Å; F265-I423 HydrophobicContact CE2-CG2 3.58Å; F265-I423 HydrophobicContact CZ-CG2 3.9Å; F341-I423 HydrophobicContact CZ-CG2 4.47Å; L409-I423 HydrophobicContact CD1-CD1 3.83Å; L409-I423 HydrophobicContact CD1-CG1 4.09Å; L409-I423 HydrophobicContact CD2-CG2 4.31Å; M413-I423 HydrophobicContact SD-CB 4.4Å; M413-I423 HydrophobicContact SD-CG1 4.13Å; M413-I423 HydrophobicContact SD-CG2 4.39Å; L418-I423 HydrophobicContact CD1-CD1 4.07Å; L418-I423 HydrophobicContact CD1-CG1 4.16Å; P420-I423 PolarHBondContact O-N 2.87Å; I423-P425 VanDerWaalsContact C-CD 3.41Å |
| 424 | D | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -125.7 | 67.8 | 166.9 | 172.6 | 41.6 | 0 | 0 | 0 | 110.4 | Q147 F341 P420 G421 L426 N427 R428 R429 | Q147-D424 PolarHBondContact NE2-OD1 3.42Å; F341-D424 HydrophobicContact CE1-CB 4.07Å; F341-D424 HydrophobicContact CZ-CB 4.44Å; P420-D424 PolarHBondContact O-N 2.81Å; G421-D424 CarbonylContact O-C 3.58Å; D424-L426 PolarHBondContact O-N 3.47Å; D424-N427 PolarHBondContact O-N 3.04Å; D424-N427 VanDerWaalsContact O-N 3.07Å; D424-N427 PolarHBondContact OD1-N 3.23Å; D424-N427 VanDerWaalsContact OD2-C 3.24Å; D424-N427 VanDerWaalsContact OD2-CA 3.3Å; D424-N427 WeakPolarHBondContact OD2-CA 3.48Å; D424-R428 VanDerWaalsContact CG-N 3.31Å; D424-R428 WeakPolarHBondContact OD1-CB 3.46Å; D424-R428 PolarHBondContact OD1-N 3.46Å; D424-R428 PolarHBondContact OD2-N 3.26Å; D424-R429 PolarHBondContact O-NH1 2.84Å; D424-R429 WeakPolarHBondContact OD2-CB 3.32Å; D424-R429 VanDerWaalsContact OD2-CG 3.29Å; D424-R429 WeakPolarHBondContact OD2-CG 3.22Å; D424-R429 IonicContact OD2-CZ 3.92Å; D424-R429 PolarHBondContact OD2-N 3.11Å; D424-R429 IonicContact OD2-NH1 3.74Å; D424-R429 PolarHBondContact OD2-NH1 3.4Å | ||
| 425 | P | 95.9 | Very high | 92.4 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 21% | 0.214 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.1 | 177.5 | 23.9 | -34.7 | 0 | 0 | 0 | 113.5 | Q147 A150 G421 I423 N427 | Q147-P425 WeakPolarHBondContact O-CG 3.27Å; A150-P425 HydrophobicContact CB-CB 4.17Å; A150-P425 HydrophobicContact CB-CG 3.97Å; G421-P425 WeakPolarHBondContact O-CA 3.41Å; I423-P425 VanDerWaalsContact C-CD 3.41Å; P425-N427 PolarHBondContact O-N 2.73Å; P425-N427 PolarHBondContact O-ND2 2.88Å; P425-N427 VanDerWaalsContact O-ND2 3.07Å |
| 426 | L | 95.3 | Very high | 91.7 | Very high | 57 Ų | 57 | 52.3 Ų | 52.3 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 1.9 | 174.8 | -62.5 | 173.5 | 0 | 0 | 0 | 113.6 | A146 Q147 A150 A211 L215 D424 R428 | A146-L426 HydrophobicContact CB-CD1 3.8Å; Q147-L426 HydrophobicContact CG-CD1 4.3Å; A150-L426 HydrophobicContact CB-CD2 3.73Å; A150-L426 HydrophobicContact CB-CG 3.93Å; A211-L426 HydrophobicContact CB-CD1 3.82Å; A211-L426 WeakPolarHBondContact O-CD1 3.49Å; L215-L426 HydrophobicContact CD1-CD2 4.49Å; D424-L426 PolarHBondContact O-N 3.47Å; L426-R428 VanDerWaalsContact C-N 3.26Å; L426-R428 HydrophobicContact CB-CG 4.33Å; L426-R428 PolarHBondContact O-N 3.05Å |
| 427 | N | 94.5 | Very high | 91.2 | Very high | 78 Ų | 78 | 54.8 Ų | 54.8 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | trans | 59.3 | 28.6 | 172.6 | -59.5 | -70 | 0 | 0 | 0 | 115.6 | D424 P425 R429 F430 | D424-N427 PolarHBondContact O-N 3.04Å; D424-N427 VanDerWaalsContact O-N 3.07Å; D424-N427 PolarHBondContact OD1-N 3.23Å; D424-N427 VanDerWaalsContact OD2-C 3.24Å; D424-N427 VanDerWaalsContact OD2-CA 3.3Å; D424-N427 WeakPolarHBondContact OD2-CA 3.48Å; P425-N427 PolarHBondContact O-N 2.73Å; P425-N427 PolarHBondContact O-ND2 2.88Å; P425-N427 VanDerWaalsContact O-ND2 3.07Å; N427-R429 PolarHBondContact O-N 2.85Å; N427-R429 PolarHBondContact OD1-NH1 2.7Å; N427-R429 PolarHBondContact OD1-NH2 3.02Å; N427-F430 HydrophobicContact CB-CD2 3.94Å; N427-F430 HydrophobicContact CB-CE2 4.29Å; N427-F430 PolarHBondContact O-N 3.47Å | ||
| 428 | R | 93.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 55 Ų | 55 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -59.2 | -29.1 | 179.6 | -62.8 | -167.8 | 56.1 | 62.2 | 20.1 | 113.4 | A207 E210 A267 F268 D424 L426 F430 S431 | A207-R428 PolarHBondContact O-NH1 2.9Å; E210-R428 IonicContact OE2-CZ 3.39Å; E210-R428 VanDerWaalsContact OE2-CZ 3.27Å; E210-R428 IonicContact OE2-NH1 3.76Å; E210-R428 PolarHBondContact OE2-NH1 3.41Å; E210-R428 IonicContact OE2-NH2 3.12Å; E210-R428 PolarHBondContact OE2-NH2 3.4Å; A267-R428 VanDerWaalsContact O-CZ 3.24Å; A267-R428 PolarHBondContact O-NE 3.44Å; A267-R428 PolarHBondContact O-NH2 3.37Å; F268-R428 HydrophobicContact CB-CB 4.28Å; F268-R428 WeakPolarHBondContact CB-O 3.37Å; F268-R428 HydrophobicContact CD2-CB 3.98Å; D424-R428 VanDerWaalsContact CG-N 3.31Å; D424-R428 WeakPolarHBondContact OD1-CB 3.46Å; D424-R428 PolarHBondContact OD1-N 3.46Å; D424-R428 PolarHBondContact OD2-N 3.26Å; L426-R428 VanDerWaalsContact C-N 3.26Å; L426-R428 HydrophobicContact CB-CG 4.33Å; L426-R428 PolarHBondContact O-N 3.05Å; R428-F430 PolarHBondContact O-N 3.44Å; R428-S431 WeakPolarHBondContact O-CB 3.27Å; R428-S431 PolarHBondContact O-N 2.9Å; R428-S431 PolarHBondContact O-OG 2.96Å |
| 429 | R | 93.8 | Very high | 91 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 17% | 0.166 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -56.4 | -15.6 | 176.5 | 72.7 | -170.5 | 171.8 | -79.9 | -4.1 | 114.8 | F268 F341 D424 N427 | F268-R429 HydrophobicContact CD1-CB 4.19Å; F268-R429 HydrophobicContact CD2-CB 4.28Å; F268-R429 HydrophobicContact CE1-CB 3.96Å; F268-R429 HydrophobicContact CE2-CB 4.04Å; F268-R429 HydrophobicContact CG-CB 4.34Å; F268-R429 HydrophobicContact CZ-CB 3.87Å; F341-R429 HydrophobicContact CD1-CB 4.03Å; F341-R429 HydrophobicContact CE1-CB 4.48Å; D424-R429 PolarHBondContact O-NH1 2.84Å; D424-R429 WeakPolarHBondContact OD2-CB 3.32Å; D424-R429 VanDerWaalsContact OD2-CG 3.29Å; D424-R429 WeakPolarHBondContact OD2-CG 3.22Å; D424-R429 IonicContact OD2-CZ 3.92Å; D424-R429 PolarHBondContact OD2-N 3.11Å; D424-R429 IonicContact OD2-NH1 3.74Å; D424-R429 PolarHBondContact OD2-NH1 3.4Å; N427-R429 PolarHBondContact O-N 2.85Å; N427-R429 PolarHBondContact OD1-NH1 2.7Å; N427-R429 PolarHBondContact OD1-NH2 3.02Å |
| 430 | F | 92.7 | Very high | 91.1 | Very high | 111 Ų | 111 | 54.4 Ų | 54.4 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -94.5 | 13 | 177.4 | -58.7 | -46.9 | 0 | 0 | 0 | 113.7 | N427 R428 T432 V433 | N427-F430 HydrophobicContact CB-CD2 3.94Å; N427-F430 HydrophobicContact CB-CE2 4.29Å; N427-F430 PolarHBondContact O-N 3.47Å; R428-F430 PolarHBondContact O-N 3.44Å; F430-T432 PolarHBondContact O-N 3.21Å; F430-V433 HydrophobicContact CB-CB 4.46Å; F430-V433 HydrophobicContact CB-CG2 3.78Å; F430-V433 HydrophobicContact CD1-CG2 4.04Å; F430-V433 HydrophobicContact CG-CG2 4.29Å; F430-V433 WeakPolarHBondContact O-CB 3.37Å; F430-V433 WeakPolarHBondContact O-CG2 3.42Å; F430-V433 PolarHBondContact O-N 3.19Å |
| 431 | S | 88.2 | Confident | 91.1 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28.8 | 177.9 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | F268 R428 | F268-S431 VanDerWaalsContact O-CB 3.29Å; F268-S431 WeakPolarHBondContact O-CB 3.49Å; F268-S431 PolarHBondContact O-OG 3.36Å; R428-S431 WeakPolarHBondContact O-CB 3.27Å; R428-S431 PolarHBondContact O-N 2.9Å; R428-S431 PolarHBondContact O-OG 2.96Å |
| 432 | T | 89.1 | Confident | 91.2 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -2.3 | 176.6 | 56 | 0 | 0 | 0 | 0 | 114.4 | V270 E271 V276 F430 P434 | V270-T432 WeakPolarHBondContact O-CG2 3.47Å; E271-T432 WeakPolarHBondContact O-CA 3.3Å; V276-T432 HydrophobicContact CG2-CG2 4.28Å; F430-T432 PolarHBondContact O-N 3.21Å; T432-P434 WeakPolarHBondContact O-CD 3.47Å |
| 433 | V | 87.6 | Confident | 91.3 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -71.7 | 126 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | F430 K435 | F430-V433 HydrophobicContact CB-CB 4.46Å; F430-V433 HydrophobicContact CB-CG2 3.78Å; F430-V433 HydrophobicContact CD1-CG2 4.04Å; F430-V433 HydrophobicContact CG-CG2 4.29Å; F430-V433 WeakPolarHBondContact O-CB 3.37Å; F430-V433 WeakPolarHBondContact O-CG2 3.42Å; F430-V433 PolarHBondContact O-N 3.19Å; V433-K435 PolarHBondContact O-N 3.15Å; V433-K435 VanDerWaalsContact O-N 3.15Å |
| 434 | P | 79.8 | Confident | 91.4 | Very high | 123 Ų | 123 | 49.3 Ų | 49.3 | 80% | 0.799 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 121.4 | 177.9 | -27 | 35.5 | 0 | 0 | 0 | 111.7 | T432 | T432-P434 WeakPolarHBondContact O-CD 3.47Š|
| 435 | K | 75.4 | Confident | 91.4 | Very high | 116 Ų | 116 | 49.3 Ų | 49.3 | 50% | 0.504 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 153.8 | 175.6 | -69.8 | -165 | -177.9 | -176.8 | 0 | 110.7 | V433 R555 | V433-K435 PolarHBondContact O-N 3.15Å; V433-K435 VanDerWaalsContact O-N 3.15Å; K435-R555 PolarHBondContact NZ-O 2.88Å |
| 436 | P | 79.8 | Confident | 91.4 | Very high | 117 Ų | 117 | 47.7 Ų | 47.7 | 76% | 0.76 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 158.4 | 177.1 | 27.5 | -36.4 | 0 | 0 | 0 | 111.9 | V438 | P436-V438 PolarHBondContact O-N 2.95Š|
| 437 | D | 83.4 | Confident | 91.3 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 129.7 | 176.5 | -67 | -50.8 | 0 | 0 | 0 | 112.1 | R598 | D437-R598 VanDerWaalsContact CG-CZ 3.41Å; D437-R598 VanDerWaalsContact CG-NH1 3.3Å; D437-R598 IonicContact OD1-CZ 3.08Å; D437-R598 IonicContact OD1-NH2 3.53Å; D437-R598 PolarHBondContact OD1-NH2 3.41Å; D437-R598 IonicContact OD2-CZ 3.67Å; D437-R598 IonicContact OD2-NH1 3.02Å; D437-R598 PolarHBondContact OD2-NH1 2.97Å; D437-R598 IonicContact OD2-NH2 2.66Å; D437-R598 PolarHBondContact OD2-NH2 3.19Å |
| 438 | V | 92.2 | Very high | 91.2 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 135.5 | 174.5 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | P436 V440 W554 P560 | P436-V438 PolarHBondContact O-N 2.95Å; V438-V440 HydrophobicContact CG1-CG2 4.42Å; V438-W554 HydrophobicContact CG1-CB 4.02Å; V438-W554 HydrophobicContact CG1-CG 4.43Å; V438-W554 HydrophobicContact CG2-CB 4.03Å; V438-P560 HydrophobicContact CG1-CG 3.62Å |
| 439 | V | 95 | Very high | 91.3 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 22% | 0.218 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 113.9 | 171 | 178.4 | 0 | 0 | 0 | 0 | 107.1 | Q441 Q559 R598 Q600 | V439-Q441 PolarHBondContact O-N 3.18Å; V439-Q559 PolarHBondContact O-OE1 2.9Å; V439-Q559 VanDerWaalsContact O-OE1 3.07Å; V439-R598 HydrophobicContact CG2-CB 4.26Å; V439-Q600 HydrophobicContact CG1-CB 3.87Å |
| 440 | V | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 120.8 | -178.1 | -167.5 | 0 | 0 | 0 | 0 | 109.4 | V438 V442 L547 L550 C551 P560 I562 A597 R598 I599 Q600 | V438-V440 HydrophobicContact CG1-CG2 4.42Å; V440-V442 HydrophobicContact CG1-CG2 4.5Å; V440-L547 HydrophobicContact CB-CD2 3.94Å; V440-L547 HydrophobicContact CG1-CD2 3.46Å; V440-L547 VanDerWaalsContact CG1-CD2 3.46Å; V440-L547 HydrophobicContact CG2-CD2 4.45Å; V440-L550 HydrophobicContact CG1-CD1 3.87Å; V440-L550 HydrophobicContact CG2-CB 4.04Å; V440-C551 HydrophobicContact CG2-CB 4.33Å; V440-P560 HydrophobicContact CB-CG 4.32Å; V440-P560 HydrophobicContact CG1-CB 4.32Å; V440-P560 HydrophobicContact CG1-CG 4.11Å; V440-P560 HydrophobicContact CG2-CG 4.05Å; V440-I562 HydrophobicContact CG1-CD1 4.46Å; V440-I562 HydrophobicContact CG1-CG1 4.35Å; V440-A597 HydrophobicContact CG2-CB 4.19Å; V440-R598 PolarHBondContact N-O 3.17Å; V440-I599 HydrophobicContact CB-CD1 4.07Å; V440-I599 CarbonylContact O-C 3.51Å; V440-I599 WeakPolarHBondContact O-CA 3.29Å; V440-Q600 PolarHBondContact O-N 3.34Å |
| 441 | Q | 97.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 132.3 | 178.1 | -60.7 | -173.4 | -46 | 0 | 0 | 108.6 | V439 Q559 P560 T561 I562 Q600 F607 T610 | V439-Q441 PolarHBondContact O-N 3.18Å; Q441-Q559 HydrophobicContact CG-CB 3.96Å; Q441-P560 PolarHBondContact N-O 3.45Å; Q441-T561 HydrophobicContact CB-CG2 4.31Å; Q441-T561 CarbonylContact O-C 3.56Å; Q441-T561 WeakPolarHBondContact O-CA 3.38Å; Q441-T561 PolarHBondContact OE1-OG1 2.98Å; Q441-I562 PolarHBondContact O-N 3.32Å; Q441-Q600 CarbonylContact C-O 3.59Å; Q441-Q600 WeakPolarHBondContact CA-O 3.46Å; Q441-F607 HydrophobicContact CB-CD1 4.17Å; Q441-F607 HydrophobicContact CB-CD2 3.97Å; Q441-F607 HydrophobicContact CB-CE1 4.1Å; Q441-F607 HydrophobicContact CB-CE2 3.89Å; Q441-F607 HydrophobicContact CB-CG 4.11Å; Q441-F607 HydrophobicContact CB-CZ 3.94Å; Q441-F607 VanDerWaalsContact CD-CD1 3.46Å; Q441-F607 HydrophobicContact CG-CD1 4.1Å; Q441-F607 HydrophobicContact CG-CE1 4.06Å; Q441-F607 HydrophobicContact CG-CG 4.45Å; Q441-F607 HydrophobicContact CG-CZ 4.36Å; Q441-F607 VanDerWaalsContact NE2-CD1 3.32Å; Q441-T610 PolarHBondContact NE2-OG1 3.05Å; Q441-T610 PolarHBondContact OE1-OG1 3.03Å; Q441-T610 VanDerWaalsContact OE1-OG1 3.13Å |
| 442 | V | 97.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 113 | -177 | -176.9 | 0 | 0 | 0 | 0 | 109 | V440 I444 L547 I562 F564 M589 I599 Q600 T601 G602 | V440-V442 HydrophobicContact CG1-CG2 4.5Å; V442-I444 HydrophobicContact CG1-CG1 4.27Å; V442-L547 HydrophobicContact CG2-CD2 3.91Å; V442-I562 WeakPolarHBondContact CA-O 3.43Å; V442-F564 HydrophobicContact CG1-CB 4.36Å; V442-M589 HydrophobicContact CG1-SD 4.23Å; V442-M589 HydrophobicContact CG2-SD 4.49Å; V442-I599 HydrophobicContact CB-CG2 4.34Å; V442-I599 HydrophobicContact CG2-CG2 3.86Å; V442-Q600 PolarHBondContact N-O 2.74Å; V442-T601 WeakPolarHBondContact O-CA 3.34Å; V442-G602 PolarHBondContact O-N 2.8Å |
| 443 | S | 97 | Very high | 92.2 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 114.1 | 170 | -158.6 | 0 | 0 | 0 | 0 | 109.6 | I562 F564 G602 L604 | S443-I562 PolarHBondContact N-O 2.84Å; S443-F564 PolarHBondContact O-N 3.05Å; S443-G602 WeakPolarHBondContact CA-O 3.24Å; S443-G602 WeakPolarHBondContact CB-O 3.5Å; S443-G602 PolarHBondContact OG-O 2.86Å; S443-L604 PolarHBondContact OG-N 2.67Å |
| 444 | I | 97.1 | Very high | 92.6 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 123.7 | 176.3 | -55.1 | 161 | 0 | 0 | 0 | 106.8 | V442 V462 F564 I566 L586 T601 | V442-I444 HydrophobicContact CG1-CG1 4.27Å; I444-V462 HydrophobicContact CB-CG1 4.02Å; I444-V462 HydrophobicContact CG2-CG1 3.89Å; I444-V462 WeakPolarHBondContact O-CB 3.37Å; I444-V462 WeakPolarHBondContact O-CG1 3.38Å; I444-F564 WeakPolarHBondContact CA-O 3.3Å; I444-I566 HydrophobicContact CG2-CD1 4.13Å; I444-I566 HydrophobicContact CG2-CG1 3.71Å; I444-L586 HydrophobicContact CD1-CD2 3.96Å; I444-L586 HydrophobicContact CG1-CD2 4.37Å; I444-L586 HydrophobicContact CG2-CD1 4.49Å; I444-L586 HydrophobicContact CG2-CD2 4.49Å; I444-T601 HydrophobicContact CD1-CG2 4.29Å |
| 445 | L | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.4 | 178.2 | -58 | -175.8 | 0 | 0 | 0 | 110.6 | E463 I465 V468 V473 T563 F564 P565 I566 L604 | L445-E463 WeakPolarHBondContact CA-O 3.28Å; L445-E463 HydrophobicContact CD2-CB 4.33Å; L445-I465 HydrophobicContact CB-CG1 4.44Å; L445-I465 HydrophobicContact CD1-CG1 4.38Å; L445-V468 HydrophobicContact CD1-CG2 4.17Å; L445-V468 HydrophobicContact CD2-CG2 3.64Å; L445-V473 HydrophobicContact CD1-CG2 3.69Å; L445-T563 HydrophobicContact CD1-CG2 3.55Å; L445-T563 HydrophobicContact CG-CG2 4.2Å; L445-F564 PolarHBondContact N-O 2.94Å; L445-P565 CarbonylContact O-C 3.54Å; L445-P565 WeakPolarHBondContact O-CA 3.22Å; L445-I566 PolarHBondContact O-N 3.26Å; L445-L604 HydrophobicContact CD1-CD1 4.13Å |
| 446 | A | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 137.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T448 I451 K452 L455 V462 E463 T464 I465 | A446-T448 VanDerWaalsContact C-N 3.33Å; A446-T448 WeakPolarHBondContact CB-O 3.37Å; A446-I451 HydrophobicContact CB-CB 4.28Å; A446-I451 HydrophobicContact CB-CG2 4.03Å; A446-K452 HydrophobicContact CB-CB 3.66Å; A446-L455 HydrophobicContact CB-CD1 4.33Å; A446-V462 HydrophobicContact CB-CG2 3.92Å; A446-E463 PolarHBondContact N-O 2.92Å; A446-T464 HydrophobicContact CB-CG2 4.09Å; A446-T464 VanDerWaalsContact O-CA 3.28Å; A446-T464 WeakPolarHBondContact O-CA 3.45Å; A446-I465 PolarHBondContact O-N 2.88Å |
| 447 | E | 92.5 | Very high | 94.9 | Very high | 100 Ų | 100 | 44.4 Ų | 44.4 | 47% | 0.467 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -65.5 | -37.9 | 172.4 | -178 | 173.7 | -147.6 | 0 | 0 | 111.6 | I451 I566 S567 | E447-I451 HydrophobicContact CB-CD1 4.08Å; E447-I566 WeakPolarHBondContact CB-O 3.39Å; E447-I566 PolarHBondContact N-O 3.35Å; E447-S567 WeakPolarHBondContact OE2-CA 3.46Å; E447-S567 WeakPolarHBondContact OE2-CB 3.35Å |
| 448 | T | 93.6 | Very high | 95.3 | Very high | 50 Ų | 50 | 42 Ų | 42 | 31% | 0.307 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -135.1 | 165.6 | -179.3 | 82.3 | 0 | 0 | 0 | 0 | 112.6 | A446 E450 I451 K452 | A446-T448 VanDerWaalsContact C-N 3.33Å; A446-T448 WeakPolarHBondContact CB-O 3.37Å; T448-E450 VanDerWaalsContact C-N 3.28Å; T448-E450 WeakPolarHBondContact CB-OE2 3.15Å; T448-E450 PolarHBondContact O-N 2.83Å; T448-E450 PolarHBondContact OG1-N 3.02Å; T448-E450 PolarHBondContact OG1-OE2 3.4Å; T448-I451 HydrophobicContact CG2-CD1 4.43Å; T448-I451 PolarHBondContact O-N 3.34Å; T448-I451 PolarHBondContact OG1-N 2.94Å; T448-K452 PolarHBondContact O-N 3.23Å; T448-K452 VanDerWaalsContact O-N 3.11Å |
| 449 | E | 95.4 | Very high | 95.4 | Very high | 91 Ų | 91 | 43.5 Ų | 43.5 | 43% | 0.425 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.6 | -27.3 | 177.2 | -69.8 | -64.9 | 142.6 | 0 | 0 | 112.4 | K452 A453 T464 | E449-K452 VanDerWaalsContact CD-NZ 3.31Å; E449-K452 WeakPolarHBondContact O-CB 3.4Å; E449-K452 PolarHBondContact O-N 2.98Å; E449-K452 IonicContact OE1-NZ 2.69Å; E449-K452 PolarHBondContact OE1-NZ 2.91Å; E449-K452 WeakPolarHBondContact OE2-CD 3.48Å; E449-K452 WeakPolarHBondContact OE2-CE 3.31Å; E449-K452 IonicContact OE2-NZ 2.7Å; E449-K452 PolarHBondContact OE2-NZ 2.62Å; E449-A453 PolarHBondContact O-N 3.47Å; E449-T464 HydrophobicContact CG-CG2 4.17Å; E449-T464 WeakPolarHBondContact OE1-CG2 3.46Å; E449-T464 PolarHBondContact OE1-OG1 3.5Å |
| 450 | E | 94.3 | Very high | 95.3 | Very high | 129 Ų | 129 | 41.9 Ų | 41.9 | 60% | 0.603 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65 | -47.4 | 173.6 | -58.3 | 72.4 | -156.7 | 0 | 0 | 110.8 | T448 K452 A453 I454 | T448-E450 VanDerWaalsContact C-N 3.28Å; T448-E450 WeakPolarHBondContact CB-OE2 3.15Å; T448-E450 PolarHBondContact O-N 2.83Å; T448-E450 PolarHBondContact OG1-N 3.02Å; T448-E450 PolarHBondContact OG1-OE2 3.4Å; E450-K452 VanDerWaalsContact C-N 3.3Å; E450-K452 PolarHBondContact O-N 3.39Å; E450-A453 WeakPolarHBondContact O-CB 3.06Å; E450-A453 PolarHBondContact O-N 3.19Å; E450-A453 VanDerWaalsContact O-N 3.13Å; E450-I454 WeakPolarHBondContact O-CG1 3.47Å; E450-I454 PolarHBondContact O-N 2.86Å |
| 451 | I | 95.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 177.1 | -67.5 | 167.3 | 0 | 0 | 0 | 110.7 | A446 E447 T448 A453 I454 L455 I566 | A446-I451 HydrophobicContact CB-CB 4.28Å; A446-I451 HydrophobicContact CB-CG2 4.03Å; E447-I451 HydrophobicContact CB-CD1 4.08Å; T448-I451 HydrophobicContact CG2-CD1 4.43Å; T448-I451 PolarHBondContact O-N 3.34Å; T448-I451 PolarHBondContact OG1-N 2.94Å; I451-A453 VanDerWaalsContact C-N 3.34Å; I451-A453 PolarHBondContact O-N 3.4Å; I451-I454 PolarHBondContact O-N 3.32Å; I451-L455 HydrophobicContact CG2-CD1 3.95Å; I451-L455 HydrophobicContact CG2-CG 4.5Å; I451-L455 WeakPolarHBondContact O-CG 3.3Å; I451-L455 PolarHBondContact O-N 2.97Å; I451-I566 HydrophobicContact CG2-CB 4.01Å; I451-I566 HydrophobicContact CG2-CG2 3.66Å |
| 452 | K | 96.3 | Very high | 95.1 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 173.4 | 178.1 | 170.9 | 155.7 | -156.2 | 0 | 112.2 | A446 T448 E449 E450 L455 K456 V462 T464 E467 | A446-K452 HydrophobicContact CB-CB 3.66Å; T448-K452 PolarHBondContact O-N 3.23Å; T448-K452 VanDerWaalsContact O-N 3.11Å; E449-K452 VanDerWaalsContact CD-NZ 3.31Å; E449-K452 WeakPolarHBondContact O-CB 3.4Å; E449-K452 PolarHBondContact O-N 2.98Å; E449-K452 IonicContact OE1-NZ 2.69Å; E449-K452 PolarHBondContact OE1-NZ 2.91Å; E449-K452 WeakPolarHBondContact OE2-CD 3.48Å; E449-K452 WeakPolarHBondContact OE2-CE 3.31Å; E449-K452 IonicContact OE2-NZ 2.7Å; E449-K452 PolarHBondContact OE2-NZ 2.62Å; E450-K452 VanDerWaalsContact C-N 3.3Å; E450-K452 PolarHBondContact O-N 3.39Å; K452-L455 PolarHBondContact O-N 2.78Å; K452-K456 VanDerWaalsContact O-CB 3.27Å; K452-K456 WeakPolarHBondContact O-CB 3.29Å; K452-K456 PolarHBondContact O-N 3.28Å; K452-V462 HydrophobicContact CB-CG2 4.28Å; K452-V462 HydrophobicContact CG-CG2 4.03Å; K452-T464 HydrophobicContact CB-CG2 4.23Å; K452-T464 HydrophobicContact CD-CG2 3.74Å; K452-E467 WeakPolarHBondContact CE-OE2 3.4Å; K452-E467 IonicContact NZ-OE1 3.12Å; K452-E467 PolarHBondContact NZ-OE1 3.13Å; K452-E467 IonicContact NZ-OE2 2.68Å; K452-E467 PolarHBondContact NZ-OE2 3.2Å |
| 453 | A | 95.9 | Very high | 95.1 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 50% | 0.496 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | E449 E450 I451 K456 D457 | E449-A453 PolarHBondContact O-N 3.47Å; E450-A453 WeakPolarHBondContact O-CB 3.06Å; E450-A453 PolarHBondContact O-N 3.19Å; E450-A453 VanDerWaalsContact O-N 3.13Å; I451-A453 VanDerWaalsContact C-N 3.34Å; I451-A453 PolarHBondContact O-N 3.4Å; A453-K456 PolarHBondContact O-N 3.48Å; A453-D457 PolarHBondContact O-N 3.43Å |
| 454 | I | 95.6 | Very high | 95 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.1 | -65.9 | 168.4 | 0 | 0 | 0 | 111.2 | E450 I451 K456 D457 K458 L571 | E450-I454 WeakPolarHBondContact O-CG1 3.47Å; E450-I454 PolarHBondContact O-N 2.86Å; I451-I454 PolarHBondContact O-N 3.32Å; I454-K456 VanDerWaalsContact C-N 3.33Å; I454-K456 PolarHBondContact O-N 3.38Å; I454-D457 PolarHBondContact O-N 3.42Å; I454-K458 PolarHBondContact O-N 3.23Å; I454-L571 HydrophobicContact CD1-CD1 4.06Å; I454-L571 HydrophobicContact CD1-CD2 4.15Å; I454-L571 HydrophobicContact CG2-CD2 4.46Å |
| 455 | L | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | 178.1 | -74.5 | 165.1 | 0 | 0 | 0 | 111.8 | A446 I451 K452 K458 G459 I460 V462 I566 L578 L586 | A446-L455 HydrophobicContact CB-CD1 4.33Å; I451-L455 HydrophobicContact CG2-CD1 3.95Å; I451-L455 HydrophobicContact CG2-CG 4.5Å; I451-L455 WeakPolarHBondContact O-CG 3.3Å; I451-L455 PolarHBondContact O-N 2.97Å; K452-L455 PolarHBondContact O-N 2.78Å; L455-K458 PolarHBondContact O-N 2.98Å; L455-K458 VanDerWaalsContact O-N 3.07Å; L455-G459 PolarHBondContact O-N 2.93Å; L455-I460 CarbonylContact C-O 3.3Å; L455-I460 VanDerWaalsContact C-O 3.3Å; L455-I460 HydrophobicContact CB-CB 4.35Å; L455-I460 HydrophobicContact CD2-CB 4.48Å; L455-I460 HydrophobicContact CD2-CD1 4.24Å; L455-I460 PolarHBondContact O-N 3.06Å; L455-V462 HydrophobicContact CB-CG2 4.26Å; L455-V462 HydrophobicContact CD1-CG1 4.27Å; L455-V462 HydrophobicContact CD1-CG2 3.73Å; L455-I566 HydrophobicContact CD1-CB 4.09Å; L455-I566 HydrophobicContact CD1-CG1 3.94Å; L455-I566 HydrophobicContact CD1-CG2 4.29Å; L455-I566 HydrophobicContact CD2-CG1 4.48Å; L455-L578 HydrophobicContact CD2-CD1 3.78Å; L455-L578 HydrophobicContact CD2-CD2 3.87Å; L455-L578 HydrophobicContact CD2-CG 4.48Å; L455-L578 HydrophobicContact CG-CD1 4.35Å; L455-L586 HydrophobicContact CD2-CD1 3.68Å |
| 456 | K | 95.4 | Very high | 94.5 | Very high | 137 Ų | 137 | 57.2 Ų | 57.2 | 60% | 0.596 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 177.7 | -170.3 | 172.4 | -171.7 | 171.9 | 0 | 112.9 | K452 A453 I454 K458 G459 I460 | K452-K456 VanDerWaalsContact O-CB 3.27Å; K452-K456 WeakPolarHBondContact O-CB 3.29Å; K452-K456 PolarHBondContact O-N 3.28Å; A453-K456 PolarHBondContact O-N 3.48Å; I454-K456 VanDerWaalsContact C-N 3.33Å; I454-K456 PolarHBondContact O-N 3.38Å; K456-K458 PolarHBondContact O-N 3.03Å; K456-G459 PolarHBondContact O-N 3.31Å; K456-I460 PolarHBondContact N-O 3.14Å |
| 457 | D | 93.9 | Very high | 94.4 | Very high | 121 Ų | 121 | 61.7 Ų | 61.7 | 65% | 0.647 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.3 | -32.5 | 172.2 | 176.9 | 74.4 | 0 | 0 | 0 | 112.3 | A453 I454 G459 | A453-D457 PolarHBondContact O-N 3.43Å; I454-D457 PolarHBondContact O-N 3.42Å; D457-G459 VanDerWaalsContact C-N 3.29Å; D457-G459 PolarHBondContact O-N 3.23Å |
| 458 | K | 92.7 | Very high | 94.5 | Very high | 54 Ų | 54 | 57.4 Ų | 57.4 | 24% | 0.235 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 2.5 | 176.5 | -52.5 | -44.7 | 175.1 | -152.2 | 0 | 114.6 | I454 L455 K456 S577 L583 | I454-K458 PolarHBondContact O-N 3.23Å; L455-K458 PolarHBondContact O-N 2.98Å; L455-K458 VanDerWaalsContact O-N 3.07Å; K456-K458 PolarHBondContact O-N 3.03Å; K458-S577 WeakPolarHBondContact CE-OG 3.42Å; K458-L583 HydrophobicContact CB-CD1 3.86Å; K458-L583 HydrophobicContact CG-CD1 4.15Å; K458-L583 HydrophobicContact CG-CD2 4.44Å |
| 459 | G | 92.6 | Very high | 94.3 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 27.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L455 K456 D457 Q590 | L455-G459 PolarHBondContact O-N 2.93Å; K456-G459 PolarHBondContact O-N 3.31Å; D457-G459 VanDerWaalsContact C-N 3.29Å; D457-G459 PolarHBondContact O-N 3.23Å; G459-Q590 PolarHBondContact O-NE2 3.17Å |
| 460 | I | 94.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | trans | -119.7 | 96.6 | -178.6 | -48.9 | 177 | 0 | 0 | 0 | 108.3 | L455 K456 V462 L583 L586 | L455-I460 CarbonylContact C-O 3.3Å; L455-I460 VanDerWaalsContact C-O 3.3Å; L455-I460 HydrophobicContact CB-CB 4.35Å; L455-I460 HydrophobicContact CD2-CB 4.48Å; L455-I460 HydrophobicContact CD2-CD1 4.24Å; L455-I460 PolarHBondContact O-N 3.06Å; K456-I460 PolarHBondContact N-O 3.14Å; I460-V462 HydrophobicContact CG2-CG1 3.96Å; I460-L583 HydrophobicContact CD1-CD1 3.92Å; I460-L586 HydrophobicContact CD1-CB 3.78Å; I460-L586 HydrophobicContact CD1-CD1 3.77Å; I460-L586 HydrophobicContact CD1-CG 4.43Å | ||
| 461 | D | 93.8 | Very high | 94.2 | Very high | 132 Ų | 132 | 57.3 Ų | 57.3 | 71% | 0.706 | 32% | 0.317 | S | S | * | . | trans | -75.5 | 125.1 | 175 | -70.6 | -63 | 0 | 0 | 0 | 110.5 | ||||
| 462 | V | 96 | Very high | 94.2 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 13% | 0.127 | 34% | 0.336 | C | S | . | . | trans | -139.1 | 164.1 | -178.4 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | I444 A446 K452 L455 I460 | I444-V462 HydrophobicContact CB-CG1 4.02Å; I444-V462 HydrophobicContact CG2-CG1 3.89Å; I444-V462 WeakPolarHBondContact O-CB 3.37Å; I444-V462 WeakPolarHBondContact O-CG1 3.38Å; A446-V462 HydrophobicContact CB-CG2 3.92Å; K452-V462 HydrophobicContact CB-CG2 4.28Å; K452-V462 HydrophobicContact CG-CG2 4.03Å; L455-V462 HydrophobicContact CB-CG2 4.26Å; L455-V462 HydrophobicContact CD1-CG1 4.27Å; L455-V462 HydrophobicContact CD1-CG2 3.73Å; I460-V462 HydrophobicContact CG2-CG1 3.96Å | ||
| 463 | E | 97 | Very high | 94.1 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 149.9 | 172 | -62.1 | 179.2 | 134.4 | 0 | 0 | 109.5 | L445 A446 E467 V468 K603 | L445-E463 WeakPolarHBondContact CA-O 3.28Å; L445-E463 HydrophobicContact CD2-CB 4.33Å; A446-E463 PolarHBondContact N-O 2.92Å; E463-E467 WeakPolarHBondContact CA-OE2 3.22Å; E463-E467 HydrophobicContact CB-CB 4.26Å; E463-V468 HydrophobicContact CB-CG2 3.93Å; E463-K603 HydrophobicContact CG-CD 4.42Å; E463-K603 WeakPolarHBondContact OE1-CD 3.19Å; E463-K603 VanDerWaalsContact OE1-CE 3.32Å; E463-K603 WeakPolarHBondContact OE1-CE 3.46Å; E463-K603 IonicContact OE1-NZ 2.68Å; E463-K603 PolarHBondContact OE1-NZ 3.25Å |
| 464 | T | 96.3 | Very high | 94 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.043 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 158.9 | 168.6 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | A446 E449 K452 A466 E467 V468 | A446-T464 HydrophobicContact CB-CG2 4.09Å; A446-T464 VanDerWaalsContact O-CA 3.28Å; A446-T464 WeakPolarHBondContact O-CA 3.45Å; E449-T464 HydrophobicContact CG-CG2 4.17Å; E449-T464 WeakPolarHBondContact OE1-CG2 3.46Å; E449-T464 PolarHBondContact OE1-OG1 3.5Å; K452-T464 HydrophobicContact CB-CG2 4.23Å; K452-T464 HydrophobicContact CD-CG2 3.74Å; T464-A466 PolarHBondContact O-N 2.67Å; T464-E467 PolarHBondContact N-OE2 2.56Å; T464-E467 PolarHBondContact O-N 3.29Å; T464-E467 WeakPolarHBondContact OG1-CG 3.24Å; T464-E467 PolarHBondContact OG1-OE2 3.33Å; T464-V468 PolarHBondContact O-N 3.14Å |
| 465 | I | 92.1 | Very high | 93.8 | Very high | 66 Ų | 66 | 61.4 Ų | 61.4 | 34% | 0.338 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -30.8 | 176.4 | -63.8 | 173 | 0 | 0 | 0 | 112.1 | L445 A446 V473 P565 | L445-I465 HydrophobicContact CB-CG1 4.44Å; L445-I465 HydrophobicContact CD1-CG1 4.38Å; A446-I465 PolarHBondContact O-N 2.88Å; I465-V473 HydrophobicContact CG2-CB 4.2Å; I465-V473 HydrophobicContact CG2-CG2 4.44Å; I465-P565 HydrophobicContact CD1-CB 4.43Å |
| 466 | A | 90.8 | Very high | 93.5 | Very high | 83 Ų | 83 | 61.4 Ų | 61.4 | 69% | 0.686 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -34.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T464 V468 | T464-A466 PolarHBondContact O-N 2.67Å; A466-V468 VanDerWaalsContact C-N 3.32Å; A466-V468 PolarHBondContact O-N 2.89Å |
| 467 | E | 94.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 56.5 Ų | 56.5 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -23.3 | -178.2 | -75.2 | 175.6 | 135.8 | 0 | 0 | 113.6 | K452 E463 T464 Y469 | K452-E467 WeakPolarHBondContact CE-OE2 3.4Å; K452-E467 IonicContact NZ-OE1 3.12Å; K452-E467 PolarHBondContact NZ-OE1 3.13Å; K452-E467 IonicContact NZ-OE2 2.68Å; K452-E467 PolarHBondContact NZ-OE2 3.2Å; E463-E467 WeakPolarHBondContact CA-OE2 3.22Å; E463-E467 HydrophobicContact CB-CB 4.26Å; T464-E467 PolarHBondContact N-OE2 2.56Å; T464-E467 PolarHBondContact O-N 3.29Å; T464-E467 WeakPolarHBondContact OG1-CG 3.24Å; T464-E467 PolarHBondContact OG1-OE2 3.33Å; E467-Y469 PolarHBondContact O-N 2.89Å |
| 468 | V | 94.3 | Very high | 93 | Very high | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -7.5 | -176.3 | 171.8 | 0 | 0 | 0 | 0 | 113.4 | L445 E463 T464 A466 I471 V473 L604 | L445-V468 HydrophobicContact CD1-CG2 4.17Å; L445-V468 HydrophobicContact CD2-CG2 3.64Å; E463-V468 HydrophobicContact CB-CG2 3.93Å; T464-V468 PolarHBondContact O-N 3.14Å; A466-V468 VanDerWaalsContact C-N 3.32Å; A466-V468 PolarHBondContact O-N 2.89Å; V468-I471 HydrophobicContact CG1-CB 3.83Å; V468-I471 HydrophobicContact CG1-CG2 4.23Å; V468-I471 WeakPolarHBondContact O-CB 3.47Å; V468-I471 PolarHBondContact O-N 3.48Å; V468-V473 HydrophobicContact CG1-CG2 4.34Å; V468-L604 HydrophobicContact CG1-CB 4.15Å; V468-L604 HydrophobicContact CG1-CD1 3.64Å |
| 469 | Y | 89.9 | Confident | 93 | Very high | 170 Ų | 170 | 48.4 Ų | 48.4 | 67% | 0.667 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 131.6 | 174.4 | -175.5 | -90.3 | 0 | 0 | 0 | 111.5 | E467 | E467-Y469 PolarHBondContact O-N 2.89Š|
| 470 | P | 91.9 | Very high | 92.8 | Very high | 89 Ų | 89 | 46 Ų | 46 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -86.9 | -2.5 | 21.9 | 34.2 | -37.9 | 0 | 0 | 0 | 116.6 | R472 | P470-R472 PolarHBondContact O-N 3.27Š|
| 471 | I | 95.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.046 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -73.2 | 124.9 | 177.3 | -55.7 | 166.8 | 0 | 0 | 0 | 108.3 | V468 I517 T519 L604 L608 | V468-I471 HydrophobicContact CG1-CB 3.83Å; V468-I471 HydrophobicContact CG1-CG2 4.23Å; V468-I471 WeakPolarHBondContact O-CB 3.47Å; V468-I471 PolarHBondContact O-N 3.48Å; I471-I517 CarbonylContact C-O 3.56Å; I471-I517 WeakPolarHBondContact CA-O 3.45Å; I471-I517 HydrophobicContact CG1-CB 4.38Å; I471-I517 HydrophobicContact CG1-CG2 4.4Å; I471-I517 HydrophobicContact CG2-CG2 4.21Å; I471-T519 HydrophobicContact CG2-CG2 4.04Å; I471-L604 HydrophobicContact CD1-CB 3.87Å; I471-L608 HydrophobicContact CD1-CD1 4.25Å; I471-L608 HydrophobicContact CD1-CD2 3.61Å; I471-L608 HydrophobicContact CD1-CG 4.07Å; I471-L608 HydrophobicContact CG1-CD2 4.21Å |
| 472 | R | 95 | Very high | 92.5 | Very high | 115 Ų | 115 | 42.8 Ų | 42.8 | 43% | 0.434 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 116 | -179.7 | -67.6 | -170.4 | -178.6 | -152.8 | 6.8 | 111.1 | P470 T516 I517 F518 T519 | P470-R472 PolarHBondContact O-N 3.27Å; R472-T516 HydrophobicContact CG-CG2 4.01Å; R472-I517 PolarHBondContact N-O 3.28Å; R472-F518 HydrophobicContact CB-CD1 3.64Å; R472-F518 HydrophobicContact CB-CE1 3.76Å; R472-F518 HydrophobicContact CB-CG 4.24Å; R472-F518 HydrophobicContact CB-CZ 4.44Å; R472-F518 HydrophobicContact CG-CE1 4.31Å; R472-F518 CarbonylContact O-C 3.36Å; R472-F518 VanDerWaalsContact O-CA 3.29Å; R472-F518 WeakPolarHBondContact O-CA 3.31Å; R472-T519 PolarHBondContact O-N 3.05Å |
| 473 | V | 94.5 | Very high | 92.4 | Very high | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 132.9 | 169.5 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | L445 I465 V468 T519 T521 T563 L604 | L445-V473 HydrophobicContact CD1-CG2 3.69Å; I465-V473 HydrophobicContact CG2-CB 4.2Å; I465-V473 HydrophobicContact CG2-CG2 4.44Å; V468-V473 HydrophobicContact CG1-CG2 4.34Å; V473-T519 WeakPolarHBondContact CA-O 3.31Å; V473-T519 HydrophobicContact CB-CG2 4.32Å; V473-T519 HydrophobicContact CG1-CG2 4.47Å; V473-T519 HydrophobicContact CG2-CG2 3.89Å; V473-T521 HydrophobicContact CG1-CG2 3.74Å; V473-T563 HydrophobicContact CG1-CG2 3.83Å; V473-T563 HydrophobicContact CG2-CG2 4.18Å; V473-L604 HydrophobicContact CG2-CD1 4.5Å |
| 474 | Q | 94.1 | Very high | 92.1 | Very high | 50 Ų | 50 | 42.3 Ų | 42.3 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 157 | 176.2 | -70.7 | -63.5 | -66.8 | 0 | 0 | 111.6 | I478 F518 T519 F520 T521 | Q474-I478 HydrophobicContact CB-CB 4.43Å; Q474-F518 HydrophobicContact CG-CD1 4Å; Q474-F518 HydrophobicContact CG-CE1 4.27Å; Q474-T519 PolarHBondContact N-O 2.98Å; Q474-F520 HydrophobicContact CB-CD1 3.76Å; Q474-F520 HydrophobicContact CB-CE1 3.64Å; Q474-F520 HydrophobicContact CG-CE1 4.47Å; Q474-F520 CarbonylContact O-C 3.59Å; Q474-F520 VanDerWaalsContact O-CA 3.22Å; Q474-F520 WeakPolarHBondContact O-CA 3.2Å; Q474-T521 PolarHBondContact O-N 3.02Å |
| 475 | P | 90.6 | Very high | 91.8 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 22% | 0.221 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 147.3 | 172.5 | -19.2 | 33.8 | 0 | 0 | 0 | 112.7 | R477 I478 | P475-R477 HydrophobicContact CB-CG 4.22Å; P475-R477 PolarHBondContact O-N 3.06Å; P475-R477 VanDerWaalsContact O-N 3.08Å; P475-I478 WeakPolarHBondContact O-CB 3.49Å; P475-I478 PolarHBondContact O-N 3.12Å |
| 476 | A | 89.4 | Confident | 91.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -48.9 | -37.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I478 L479 S480 T507 Q523 | A476-I478 PolarHBondContact O-N 2.97Å; A476-I478 VanDerWaalsContact O-N 3.1Å; A476-L479 VanDerWaalsContact O-CB 3.3Å; A476-L479 WeakPolarHBondContact O-CB 3.48Å; A476-L479 PolarHBondContact O-N 2.86Å; A476-S480 PolarHBondContact O-N 3.37Å; A476-S480 PolarHBondContact O-OG 3.19Å; A476-T507 HydrophobicContact CB-CG2 3.62Å; A476-Q523 HydrophobicContact CB-CB 4.39Å; A476-Q523 VanDerWaalsContact CB-OE1 3.29Å |
| 477 | R | 86.6 | Confident | 92.1 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.4 | -30.8 | 176.6 | 69 | -172.8 | -179.3 | -107.5 | 6.8 | 114.2 | P475 S480 H481 D526 | P475-R477 HydrophobicContact CB-CG 4.22Å; P475-R477 PolarHBondContact O-N 3.06Å; P475-R477 VanDerWaalsContact O-N 3.08Å; R477-S480 WeakPolarHBondContact O-CB 3.32Å; R477-S480 PolarHBondContact O-N 2.86Å; R477-H481 PolarHBondContact O-CD2 3.49Å; R477-H481 PolarHBondContact O-N 3.23Å; R477-H481 VanDerWaalsContact O-N 3.1Å; R477-D526 IonicContact CZ-OD2 3.7Å; R477-D526 IonicContact NH1-OD1 2.72Å; R477-D526 PolarHBondContact NH1-OD1 3.42Å; R477-D526 IonicContact NH1-OD2 3.26Å; R477-D526 PolarHBondContact NH1-OD2 3.14Å |
| 478 | I | 91.1 | Very high | 92 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.4 | -37.7 | 178.3 | -57.3 | -59 | 0 | 0 | 0 | 110.5 | Q474 P475 A476 H481 I482 F520 L660 F665 | Q474-I478 HydrophobicContact CB-CB 4.43Å; P475-I478 WeakPolarHBondContact O-CB 3.49Å; P475-I478 PolarHBondContact O-N 3.12Å; A476-I478 PolarHBondContact O-N 2.97Å; A476-I478 VanDerWaalsContact O-N 3.1Å; I478-H481 PolarHBondContact O-N 2.82Å; I478-I482 HydrophobicContact CG2-CD1 4.07Å; I478-I482 WeakPolarHBondContact O-CG1 3.39Å; I478-I482 PolarHBondContact O-N 2.92Å; I478-F520 HydrophobicContact CB-CE1 4.16Å; I478-F520 HydrophobicContact CG2-CE1 4.31Å; I478-L660 HydrophobicContact CG2-CD1 4.32Å; I478-F665 HydrophobicContact CD1-CE1 4.42Å; I478-F665 HydrophobicContact CD1-CZ 4.45Å |
| 479 | L | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 173.7 | -171 | 57.3 | 0 | 0 | 0 | 111.4 | A476 H481 I482 Y483 M502 Y511 F520 L616 | A476-L479 VanDerWaalsContact O-CB 3.3Å; A476-L479 WeakPolarHBondContact O-CB 3.48Å; A476-L479 PolarHBondContact O-N 2.86Å; L479-H481 VanDerWaalsContact C-N 3.3Å; L479-H481 PolarHBondContact O-N 3.43Å; L479-I482 PolarHBondContact O-N 3.19Å; L479-Y483 HydrophobicContact CD1-CD2 3.78Å; L479-Y483 HydrophobicContact CD1-CE2 3.62Å; L479-Y483 HydrophobicContact CG-CD2 3.94Å; L479-Y483 HydrophobicContact CG-CE2 4.01Å; L479-Y483 PolarHBondContact O-N 3.49Å; L479-M502 HydrophobicContact CB-CG 4.03Å; L479-M502 HydrophobicContact CD2-CB 4.32Å; L479-M502 HydrophobicContact CD2-CE 3.81Å; L479-M502 HydrophobicContact CD2-CG 4.08Å; L479-M502 HydrophobicContact CG-CE 4.01Å; L479-M502 HydrophobicContact CG-CG 3.87Å; L479-M502 HydrophobicContact CG-SD 4.35Å; L479-Y511 HydrophobicContact CD1-CD1 4.46Å; L479-Y511 HydrophobicContact CD1-CD2 4.33Å; L479-Y511 HydrophobicContact CD1-CE1 4.2Å; L479-Y511 HydrophobicContact CD1-CE2 4.05Å; L479-Y511 HydrophobicContact CD1-CG 4.49Å; L479-Y511 HydrophobicContact CD2-CD2 4.4Å; L479-Y511 HydrophobicContact CD2-CE2 3.56Å; L479-Y511 HydrophobicContact CG-CE2 4.45Å; L479-F520 HydrophobicContact CB-CD1 3.81Å; L479-F520 HydrophobicContact CB-CD2 4.16Å; L479-F520 HydrophobicContact CB-CE1 3.78Å; L479-F520 HydrophobicContact CB-CE2 4.15Å; L479-F520 HydrophobicContact CB-CG 4Å; L479-F520 HydrophobicContact CB-CZ 3.96Å; L479-F520 HydrophobicContact CD1-CD2 4.16Å; L479-F520 HydrophobicContact CD1-CE2 3.65Å; L479-F520 HydrophobicContact CD1-CZ 3.88Å; L479-F520 HydrophobicContact CD2-CB 4.48Å; L479-F520 HydrophobicContact CD2-CD2 3.73Å; L479-F520 HydrophobicContact CD2-CE2 4.13Å; L479-F520 HydrophobicContact CD2-CG 4.04Å; L479-F520 HydrophobicContact CG-CD2 4.24Å; L479-F520 HydrophobicContact CG-CE2 4.19Å; L479-F520 HydrophobicContact CG-CZ 4.4Å; L479-L616 HydrophobicContact CD1-CD1 4.36Å |
| 480 | S | 89.9 | Confident | 92.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.2 | -42 | 173.3 | -46.4 | 0 | 0 | 0 | 0 | 112.1 | A476 R477 S484 R500 M502 | A476-S480 PolarHBondContact O-N 3.37Å; A476-S480 PolarHBondContact O-OG 3.19Å; R477-S480 WeakPolarHBondContact O-CB 3.32Å; R477-S480 PolarHBondContact O-N 2.86Å; S480-S484 PolarHBondContact O-N 2.94Å; S480-R500 WeakPolarHBondContact CB-O 3.27Å; S480-M502 WeakPolarHBondContact OG-CG 3.45Å; S480-M502 PolarHBondContact OG-N 3.31Å |
| 481 | H | 89.8 | Confident | 92.3 | Very high | 52 Ų | 52 | 37.2 Ų | 37.2 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -41.6 | 174.7 | -76.8 | -61.1 | 0 | 0 | 0 | 112.7 | R477 I478 L479 S484 Y499 L660 | R477-H481 PolarHBondContact O-CD2 3.49Å; R477-H481 PolarHBondContact O-N 3.23Å; R477-H481 VanDerWaalsContact O-N 3.1Å; I478-H481 PolarHBondContact O-N 2.82Å; L479-H481 VanDerWaalsContact C-N 3.3Å; L479-H481 PolarHBondContact O-N 3.43Å; H481-S484 WeakPolarHBondContact O-CB 3.25Å; H481-S484 PolarHBondContact O-N 2.94Å; H481-S484 PolarHBondContact O-OG 3.09Å; H481-Y499 AromaticContact CD2-CE2 3.99Å; H481-Y499 AromaticContact CE1-CD2 3.88Å; H481-Y499 AromaticContact CE1-CE2 3.47Å; H481-Y499 VanDerWaalsContact CE1-CE2 3.47Å; H481-Y499 WeakPolarHBondContact CE1-CE2 3.36Å; H481-Y499 AromaticContact CG-CE2 3.93Å; H481-Y499 AromaticContact ND1-CD2 3.77Å; H481-Y499 AromaticContact ND1-CE2 3.61Å; H481-Y499 AromaticContact NE2-CE2 3.73Å; H481-L660 HydrophobicContact CB-CD2 4.11Å |
| 482 | I | 91.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 175.8 | -68.9 | 158.8 | 0 | 0 | 0 | 110.3 | I478 L479 S484 S485 I513 F520 L616 F618 M619 | I478-I482 HydrophobicContact CG2-CD1 4.07Å; I478-I482 WeakPolarHBondContact O-CG1 3.39Å; I478-I482 PolarHBondContact O-N 2.92Å; L479-I482 PolarHBondContact O-N 3.19Å; I482-S484 PolarHBondContact O-N 3.5Å; I482-S485 PolarHBondContact O-N 3.41Å; I482-S485 PolarHBondContact O-OG 2.67Å; I482-I513 HydrophobicContact CD1-CD1 3.86Å; I482-F520 HydrophobicContact CD1-CZ 4.23Å; I482-L616 HydrophobicContact CG2-CD1 3.73Å; I482-F618 HydrophobicContact CG2-CE2 4.33Å; I482-F618 HydrophobicContact CG2-CZ 4.23Å; I482-M619 HydrophobicContact CG2-CG 3.97Å; I482-M619 HydrophobicContact CG2-SD 4.08Å |
| 483 | Y | 93.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.9 | -20.1 | 178.2 | -87.5 | -76.9 | 0 | 0 | 0 | 114 | L231 L479 S485 L486 R497 M502 Y511 L616 F618 | L231-Y483 HydrophobicContact CD2-CD1 4.08Å; L231-Y483 HydrophobicContact CD2-CD2 4.41Å; L231-Y483 HydrophobicContact CD2-CE1 3.72Å; L231-Y483 HydrophobicContact CD2-CE2 4.07Å; L231-Y483 HydrophobicContact CD2-CG 4.41Å; L479-Y483 HydrophobicContact CD1-CD2 3.78Å; L479-Y483 HydrophobicContact CD1-CE2 3.62Å; L479-Y483 HydrophobicContact CG-CD2 3.94Å; L479-Y483 HydrophobicContact CG-CE2 4.01Å; L479-Y483 PolarHBondContact O-N 3.49Å; Y483-S485 PolarHBondContact O-N 2.75Å; Y483-L486 HydrophobicContact CD1-CD2 3.94Å; Y483-L486 HydrophobicContact CE1-CD2 4.22Å; Y483-L486 VanDerWaalsContact O-CB 3.29Å; Y483-L486 WeakPolarHBondContact O-CB 3.06Å; Y483-L486 PolarHBondContact O-N 3.39Å; Y483-L486 VanDerWaalsContact O-N 3.13Å; Y483-R497 VanDerWaalsContact O-CB 3.31Å; Y483-R497 WeakPolarHBondContact O-CB 3.5Å; Y483-M502 HydrophobicContact CD2-CE 3.83Å; Y483-M502 HydrophobicContact CD2-SD 3.8Å; Y483-M502 HydrophobicContact CE2-CE 3.77Å; Y483-M502 HydrophobicContact CE2-SD 4.37Å; Y483-M502 HydrophobicContact CG-SD 4.35Å; Y483-Y511 HydrophobicContact CE2-CE1 4.14Å; Y483-L616 HydrophobicContact CE1-CD2 4.47Å; Y483-L616 HydrophobicContact CE2-CD2 4.47Å; Y483-F618 HydrophobicContact CD1-CZ 4.3Å; Y483-F618 HydrophobicContact CE1-CE1 4.45Å; Y483-F618 HydrophobicContact CE1-CZ 4.47Å |
| 484 | S | 91.6 | Very high | 92.5 | Very high | 37 Ų | 37 | 40 Ų | 40 | 26% | 0.259 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.5 | -20.6 | 175.7 | 74.4 | 0 | 0 | 0 | 0 | 113.7 | S480 H481 I482 R497 | S480-S484 PolarHBondContact O-N 2.94Å; H481-S484 WeakPolarHBondContact O-CB 3.25Å; H481-S484 PolarHBondContact O-N 2.94Å; H481-S484 PolarHBondContact O-OG 3.09Å; I482-S484 PolarHBondContact O-N 3.5Å; S484-R497 WeakPolarHBondContact CA-O 3.29Å |
| 485 | S | 90.1 | Very high | 92.5 | Very high | 47 Ų | 47 | 39.9 Ų | 39.9 | 33% | 0.329 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.3 | 174.4 | 71.3 | 0 | 0 | 0 | 0 | 114 | I482 Y483 G487 C488 | I482-S485 PolarHBondContact O-N 3.41Å; I482-S485 PolarHBondContact O-OG 2.67Å; Y483-S485 PolarHBondContact O-N 2.75Å; S485-G487 PolarHBondContact O-N 3.44Å; S485-C488 WeakPolarHBondContact O-CB 3.36Å; S485-C488 PolarHBondContact O-N 3.04Å; S485-C488 PolarHBondContact O-SG 2.98Å; S485-C488 VanDerWaalsContact O-SG 3.32Å |
| 486 | L | 93.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 127.3 | -178.6 | 178.1 | 64.6 | 0 | 0 | 0 | 110.3 | Q166 F170 H229 Y483 C488 G496 R497 F618 | Q166-L486 HydrophobicContact CG-CD1 4.13Å; Q166-L486 HydrophobicContact CG-CD2 4.4Å; Q166-L486 HydrophobicContact CG-CG 3.89Å; F170-L486 HydrophobicContact CE1-CD2 4.23Å; F170-L486 VanDerWaalsContact CE2-O 3.3Å; F170-L486 WeakPolarHBondContact CE2-O 3.45Å; F170-L486 HydrophobicContact CZ-CB 4.28Å; F170-L486 HydrophobicContact CZ-CD2 3.94Å; F170-L486 HydrophobicContact CZ-CG 3.92Å; F170-L486 WeakPolarHBondContact CZ-O 3.39Å; H229-L486 HydrophobicContact CB-CD2 4Å; Y483-L486 HydrophobicContact CD1-CD2 3.94Å; Y483-L486 HydrophobicContact CE1-CD2 4.22Å; Y483-L486 VanDerWaalsContact O-CB 3.29Å; Y483-L486 WeakPolarHBondContact O-CB 3.06Å; Y483-L486 PolarHBondContact O-N 3.39Å; Y483-L486 VanDerWaalsContact O-N 3.13Å; L486-C488 VanDerWaalsContact C-N 3.32Å; L486-G496 CarbonylContact O-C 3.56Å; L486-G496 WeakPolarHBondContact O-CA 3.3Å; L486-R497 PolarHBondContact O-N 3.17Å; L486-F618 HydrophobicContact CB-CD2 4.38Å; L486-F618 HydrophobicContact CB-CE2 4.07Å; L486-F618 HydrophobicContact CB-CZ 4.13Å; L486-F618 HydrophobicContact CD1-CB 4.26Å; L486-F618 HydrophobicContact CD1-CD1 3.64Å; L486-F618 HydrophobicContact CD1-CD2 4.24Å; L486-F618 HydrophobicContact CD1-CE1 3.93Å; L486-F618 HydrophobicContact CD1-CG 3.8Å; L486-F618 HydrophobicContact CD1-CZ 4.37Å |
| 487 | G | 93.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 9.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N167 S485 N489 | N167-G487 PolarHBondContact ND2-O 3.16Å; S485-G487 PolarHBondContact O-N 3.44Å; G487-N489 PolarHBondContact O-N 3.36Å |
| 488 | C | 94.3 | Very high | 93 | Very high | 62 Ų | 62 | 37.2 Ų | 37.2 | 42% | 0.419 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 130.1 | 170.8 | -79.4 | 0 | 0 | 0 | 0 | 111.5 | S485 L486 S495 | S485-C488 WeakPolarHBondContact O-CB 3.36Å; S485-C488 PolarHBondContact O-N 3.04Å; S485-C488 PolarHBondContact O-SG 2.98Å; S485-C488 VanDerWaalsContact O-SG 3.32Å; L486-C488 VanDerWaalsContact C-N 3.32Å; C488-S495 PolarHBondContact SG-O 2.94Å |
| 489 | N | 94.9 | Very high | 92.8 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 107.8 | 173.7 | -171.3 | -40.4 | 0 | 0 | 0 | 111.6 | D160 N163 G487 R491 M492 K493 L494 | D160-N489 PolarHBondContact OD1-ND2 3.4Å; N163-N489 HydrophobicContact CB-CB 4.02Å; G487-N489 PolarHBondContact O-N 3.36Å; N489-R491 PolarHBondContact O-N 3.08Å; N489-R491 WeakPolarHBondContact OD1-CA 3.47Å; N489-R491 WeakPolarHBondContact OD1-CB 3.5Å; N489-R491 PolarHBondContact OD1-N 2.91Å; N489-M492 HydrophobicContact CB-CB 4.22Å; N489-M492 PolarHBondContact O-N 3.28Å; N489-M492 PolarHBondContact OD1-N 2.81Å; N489-K493 CarbonylContact O-C 3.49Å; N489-K493 WeakPolarHBondContact O-CA 3.04Å; N489-K493 PolarHBondContact O-N 3.35Å; N489-L494 HydrophobicContact CB-CB 4.2Å; N489-L494 HydrophobicContact CB-CD1 4.48Å; N489-L494 PolarHBondContact N-O 3.38Å; N489-L494 PolarHBondContact O-N 2.95Å |
| 490 | S | 93.2 | Very high | 92.4 | Very high | 116 Ų | 116 | 44.4 Ų | 44.4 | 81% | 0.811 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -32.2 | -179.8 | 56.6 | 0 | 0 | 0 | 0 | 114 | M492 K493 | S490-M492 VanDerWaalsContact C-N 3.35Å; S490-K493 PolarHBondContact O-N 3.19Å |
| 491 | R | 94.1 | Very high | 92 | Very high | 165 Ų | 165 | 46.5 Ų | 46.5 | 62% | 0.623 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -35.9 | 178.7 | -55.5 | 177.7 | -173 | 163.4 | 3.2 | 111.5 | D160 N489 E624 | D160-R491 IonicContact OD1-NH1 2.84Å; D160-R491 IonicContact OD2-CZ 2.62Å; D160-R491 IonicContact OD2-NH1 2.87Å; D160-R491 PolarHBondContact OD2-NH1 3.42Å; N489-R491 PolarHBondContact O-N 3.08Å; N489-R491 WeakPolarHBondContact OD1-CA 3.47Å; N489-R491 WeakPolarHBondContact OD1-CB 3.5Å; N489-R491 PolarHBondContact OD1-N 2.91Å; R491-E624 IonicContact NH2-OE1 2.8Å; R491-E624 PolarHBondContact NH2-OE1 3.26Å |
| 492 | M | 95.4 | Very high | 91.8 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 17% | 0.172 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -1.8 | 178.4 | -72.9 | -175.1 | 167.9 | 0 | 0 | 114.1 | I93 V96 D160 F164 N489 S490 L494 | I93-M492 HydrophobicContact CG2-CE 4.3Å; V96-M492 HydrophobicContact CG2-CB 4.19Å; D160-M492 HydrophobicContact CB-CE 3.94Å; F164-M492 HydrophobicContact CB-SD 4.05Å; N489-M492 HydrophobicContact CB-CB 4.22Å; N489-M492 PolarHBondContact O-N 3.28Å; N489-M492 PolarHBondContact OD1-N 2.81Å; S490-M492 VanDerWaalsContact C-N 3.35Å; M492-L494 HydrophobicContact CB-CD1 3.9Å; M492-L494 HydrophobicContact CB-CG 4.03Å; M492-L494 PolarHBondContact O-N 2.62Å; M492-L494 HydrophobicContact SD-CD1 4.19Å |
| 493 | K | 96.3 | Very high | 91.6 | Very high | 157 Ų | 157 | 44.3 Ų | 44.3 | 68% | 0.683 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 29 | -173.3 | -51.3 | 176.9 | -173.8 | 167.5 | 0 | 114.7 | N489 S490 | N489-K493 CarbonylContact O-C 3.49Å; N489-K493 WeakPolarHBondContact O-CA 3.04Å; N489-K493 PolarHBondContact O-N 3.35Å; S490-K493 PolarHBondContact O-N 3.19Å |
| 494 | L | 96.4 | Very high | 91.5 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125.5 | 177.3 | -67.6 | 167.4 | 0 | 0 | 0 | 110.2 | V96 E100 F164 N167 N489 M492 G496 | V96-L494 HydrophobicContact CG2-CD1 3.95Å; V96-L494 HydrophobicContact CG2-CD2 3.67Å; V96-L494 HydrophobicContact CG2-CG 3.81Å; E100-L494 HydrophobicContact CB-CD2 4.27Å; E100-L494 WeakPolarHBondContact OE2-CA 3.07Å; F164-L494 HydrophobicContact CD2-CD1 4.33Å; N167-L494 HydrophobicContact CB-CD1 4.21Å; N167-L494 HydrophobicContact CB-CD2 4.12Å; N489-L494 HydrophobicContact CB-CB 4.2Å; N489-L494 HydrophobicContact CB-CD1 4.48Å; N489-L494 PolarHBondContact N-O 3.38Å; N489-L494 PolarHBondContact O-N 2.95Å; M492-L494 HydrophobicContact CB-CD1 3.9Å; M492-L494 HydrophobicContact CB-CG 4.03Å; M492-L494 PolarHBondContact O-N 2.62Å; M492-L494 HydrophobicContact SD-CD1 4.19Å; L494-G496 VanDerWaalsContact C-N 3.32Å; L494-G496 PolarHBondContact O-N 2.99Å |
| 495 | S | 95 | Very high | 91.6 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 33% | 0.329 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -3.6 | -175.8 | 62.4 | 0 | 0 | 0 | 0 | 115.5 | E100 K103 Y104 C488 | E100-S495 VanDerWaalsContact CD-OG 3.24Å; E100-S495 WeakPolarHBondContact OE1-CB 3.22Å; E100-S495 PolarHBondContact OE1-OG 2.69Å; E100-S495 PolarHBondContact OE2-N 2.8Å; E100-S495 PolarHBondContact OE2-OG 2.74Å; K103-S495 PolarHBondContact NZ-OG 3.3Å; Y104-S495 PolarHBondContact OH-OG 3.32Å; C488-S495 PolarHBondContact SG-O 2.94Å |
| 496 | G | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | 81.4 | -159.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K103 L486 L494 | K103-G496 PolarHBondContact NZ-O 2.9Å; L486-G496 CarbonylContact O-C 3.56Å; L486-G496 WeakPolarHBondContact O-CA 3.3Å; L494-G496 VanDerWaalsContact C-N 3.32Å; L494-G496 PolarHBondContact O-N 2.99Å | ||
| 497 | R | 93.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -70.2 | 132.4 | 179.3 | -166.3 | -173.1 | 171.6 | -116.4 | 5 | 110.2 | F170 L231 E234 Y483 S484 L486 R500 | F170-R497 HydrophobicContact CD1-CB 4.27Å; F170-R497 HydrophobicContact CD1-CG 3.93Å; F170-R497 HydrophobicContact CD2-CB 4.29Å; F170-R497 HydrophobicContact CE1-CB 3.82Å; F170-R497 HydrophobicContact CE1-CG 3.8Å; F170-R497 HydrophobicContact CE2-CB 3.85Å; F170-R497 HydrophobicContact CG-CG 4.38Å; F170-R497 HydrophobicContact CZ-CB 3.59Å; F170-R497 HydrophobicContact CZ-CG 4.12Å; L231-R497 VanDerWaalsContact CD1-NH2 3.3Å; E234-R497 IonicContact OE1-NH2 2.7Å; E234-R497 PolarHBondContact OE1-NH2 3.34Å; Y483-R497 VanDerWaalsContact O-CB 3.31Å; Y483-R497 WeakPolarHBondContact O-CB 3.5Å; S484-R497 WeakPolarHBondContact CA-O 3.29Å; L486-R497 PolarHBondContact O-N 3.17Å; R497-R500 PolarHBondContact NH1-O 2.96Å |
| 498 | P | 89.9 | Confident | 91.9 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | trans | -56.2 | 142.6 | 168.8 | -23.9 | 35.3 | 0 | 0 | 0 | 111.1 | K103 Y104 R500 | K103-P498 HydrophobicContact CB-CG 3.8Å; K103-P498 HydrophobicContact CD-CG 4.33Å; K103-P498 HydrophobicContact CG-CG 4.45Å; Y104-P498 HydrophobicContact CE1-CB 3.9Å; Y104-P498 HydrophobicContact CE1-CG 4.17Å; P498-R500 PolarHBondContact O-N 2.91Å | ||
| 499 | Y | 86.1 | Confident | 92 | Very high | 110 Ų | 110 | 37.9 Ų | 37.9 | 43% | 0.431 | 19% | 0.188 | S | C | . | . | trans | -62.5 | 115.1 | 173.7 | -177.9 | -87.8 | 0 | 0 | 0 | 109.9 | H481 L501 | H481-Y499 AromaticContact CD2-CE2 3.99Å; H481-Y499 AromaticContact CE1-CD2 3.88Å; H481-Y499 AromaticContact CE1-CE2 3.47Å; H481-Y499 VanDerWaalsContact CE1-CE2 3.47Å; H481-Y499 WeakPolarHBondContact CE1-CE2 3.36Å; H481-Y499 AromaticContact CG-CE2 3.93Å; H481-Y499 AromaticContact ND1-CD2 3.77Å; H481-Y499 AromaticContact ND1-CE2 3.61Å; H481-Y499 AromaticContact NE2-CE2 3.73Å; Y499-L501 HydrophobicContact CE1-CD2 4.41Å | ||
| 500 | R | 83.4 | Confident | 92.1 | Very high | 45 Ų | 45 | 37.6 Ų | 37.6 | 17% | 0.17 | 19% | 0.186 | C | C | . | . | trans | -139.5 | 151 | 171.2 | -56 | -177.1 | -164.8 | 139.6 | 13.9 | 107.7 | E173 E234 S480 R497 P498 | E173-R500 IonicContact OE1-CZ 2.79Å; E173-R500 VanDerWaalsContact OE1-CZ 3.23Å; E173-R500 IonicContact OE1-NH1 3.76Å; E173-R500 PolarHBondContact OE1-NH1 3.12Å; E173-R500 IonicContact OE1-NH2 3.43Å; E173-R500 PolarHBondContact OE1-NH2 2.99Å; E234-R500 IonicContact OE1-NH1 3.87Å; E234-R500 PolarHBondContact OE1-NH1 2.93Å; E234-R500 IonicContact OE2-NH1 3.21Å; S480-R500 WeakPolarHBondContact CB-O 3.27Å; R497-R500 PolarHBondContact NH1-O 2.96Å; P498-R500 PolarHBondContact O-N 2.91Å | ||
| 501 | L | 82.3 | Confident | 92.2 | Very high | 44 Ų | 44 | 32 Ų | 32 | 23% | 0.23 | 15% | 0.148 | C | C | . | . | trans | -61.1 | 159.5 | 178 | -61.5 | 178.5 | 0 | 0 | 0 | 111.2 | Y499 Q523 | Y499-L501 HydrophobicContact CE1-CD2 4.41Å; L501-Q523 HydrophobicContact CD1-CG 4.48Å | ||
| 502 | M | 85.8 | Confident | 92.1 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | trans | -99.9 | 122.8 | 177.3 | -67.5 | -66.3 | -56.3 | 0 | 0 | 108.3 | L231 L479 S480 Y483 T507 | L231-M502 HydrophobicContact CD1-CE 4.29Å; L231-M502 HydrophobicContact CD1-SD 3.98Å; L231-M502 HydrophobicContact CD2-CE 3.69Å; L231-M502 HydrophobicContact CD2-SD 4.34Å; L479-M502 HydrophobicContact CB-CG 4.03Å; L479-M502 HydrophobicContact CD2-CB 4.32Å; L479-M502 HydrophobicContact CD2-CE 3.81Å; L479-M502 HydrophobicContact CD2-CG 4.08Å; L479-M502 HydrophobicContact CG-CE 4.01Å; L479-M502 HydrophobicContact CG-CG 3.87Å; L479-M502 HydrophobicContact CG-SD 4.35Å; S480-M502 WeakPolarHBondContact OG-CG 3.45Å; S480-M502 PolarHBondContact OG-N 3.31Å; Y483-M502 HydrophobicContact CD2-CE 3.83Å; Y483-M502 HydrophobicContact CD2-SD 3.8Å; Y483-M502 HydrophobicContact CE2-CE 3.77Å; Y483-M502 HydrophobicContact CE2-SD 4.37Å; Y483-M502 HydrophobicContact CG-SD 4.35Å; M502-T507 HydrophobicContact CB-CG2 4.15Å | ||
| 503 | G | 87.9 | Confident | 91.9 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 17% | 0.165 | 13% | 0.125 | C | C | . | . | trans | -71.1 | -178.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D233 L505 G506 T507 | D233-G503 VanDerWaalsContact OD1-C 3.31Å; D233-G503 VanDerWaalsContact OD1-CA 3.29Å; D233-G503 WeakPolarHBondContact OD1-CA 3.46Å; G503-L505 VanDerWaalsContact C-N 3.25Å; G503-L505 PolarHBondContact O-N 2.95Å; G503-G506 PolarHBondContact O-N 3.49Å; G503-T507 PolarHBondContact O-N 3.43Å; G503-T507 PolarHBondContact O-OG1 3.03Å | ||
| 504 | V | 91.2 | Very high | 91.4 | Very high | 16 Ų | 16 | 21.2 Ų | 21.2 | 10% | 0.097 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.7 | -28.8 | -178.4 | 70.7 | 0 | 0 | 0 | 0 | 112.3 | D233 T507 S508 D546 Y549 L550 | D233-V504 PolarHBondContact OD1-N 3.31Å; V504-T507 WeakPolarHBondContact CA-OG1 3.29Å; V504-T507 PolarHBondContact O-OG1 3.5Å; V504-S508 VanDerWaalsContact O-CB 3.23Å; V504-S508 WeakPolarHBondContact O-CB 3.45Å; V504-S508 PolarHBondContact O-N 3.24Å; V504-S508 VanDerWaalsContact O-N 3.09Å; V504-S508 PolarHBondContact O-OG 3.35Å; V504-D546 HydrophobicContact CG2-CB 3.8Å; V504-Y549 HydrophobicContact CG1-CD1 3.43Å; V504-Y549 VanDerWaalsContact CG1-CD1 3.43Å; V504-Y549 HydrophobicContact CG1-CE1 3.84Å; V504-Y549 HydrophobicContact CG1-CG 4.42Å; V504-L550 HydrophobicContact CG1-CD2 4.38Å; V504-L550 HydrophobicContact CG2-CD1 3.97Å; V504-L550 HydrophobicContact CG2-CD2 4.07Å; V504-L550 HydrophobicContact CG2-CG 3.94Å |
| 505 | L | 93.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73.7 | -38.5 | 179.5 | -59.1 | 163.8 | 0 | 0 | 0 | 111.3 | A232 D233 Q236 G503 K509 Y549 L550 W554 | A232-L505 HydrophobicContact CB-CB 4.02Å; A232-L505 HydrophobicContact CB-CD1 4.39Å; D233-L505 VanDerWaalsContact OD1-CB 3.25Å; D233-L505 WeakPolarHBondContact OD1-CB 3.37Å; D233-L505 PolarHBondContact OD1-N 2.93Å; Q236-L505 HydrophobicContact CB-CD1 3.96Å; Q236-L505 HydrophobicContact CG-CD1 3.61Å; G503-L505 VanDerWaalsContact C-N 3.25Å; G503-L505 PolarHBondContact O-N 2.95Å; L505-K509 WeakPolarHBondContact O-CE 3.39Å; L505-Y549 HydrophobicContact CD1-CE1 3.89Å; L505-Y549 HydrophobicContact CD2-CE1 4.31Å; L505-Y549 HydrophobicContact CG-CE1 3.98Å; L505-L550 HydrophobicContact CD2-CD2 3.91Å; L505-W554 HydrophobicContact CB-CZ3 4.42Å; L505-W554 HydrophobicContact CD2-CE3 3.63Å; L505-W554 HydrophobicContact CD2-CZ3 4.09Å; L505-W554 WeakPolarHBondContact O-CZ3 3.45Å |
| 506 | G | 93.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.1 | -51.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D233 G503 S508 Y511 | D233-G506 PolarHBondContact OD2-N 3.48Å; G503-G506 PolarHBondContact O-N 3.49Å; G506-S508 VanDerWaalsContact C-N 3.32Å; G506-S508 PolarHBondContact O-N 3.01Å; G506-Y511 WeakPolarHBondContact O-CE2 3.27Å; G506-Y511 PolarHBondContact O-OH 3.37Å; G506-Y511 VanDerWaalsContact O-OH 3.05Å |
| 507 | T | 94.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.2 | -26.6 | -175 | 49 | 0 | 0 | 0 | 0 | 114 | A476 M502 G503 V504 K509 F520 | A476-T507 HydrophobicContact CB-CG2 3.62Å; M502-T507 HydrophobicContact CB-CG2 4.15Å; G503-T507 PolarHBondContact O-N 3.43Å; G503-T507 PolarHBondContact O-OG1 3.03Å; V504-T507 WeakPolarHBondContact CA-OG1 3.29Å; V504-T507 PolarHBondContact O-OG1 3.5Å; T507-K509 PolarHBondContact O-N 2.98Å; T507-F520 HydrophobicContact CG2-CB 4.33Å |
| 508 | S | 96.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 31.8 | -179.6 | -54 | 0 | 0 | 0 | 0 | 114.8 | V504 G506 L550 W554 T561 | V504-S508 VanDerWaalsContact O-CB 3.23Å; V504-S508 WeakPolarHBondContact O-CB 3.45Å; V504-S508 PolarHBondContact O-N 3.24Å; V504-S508 VanDerWaalsContact O-N 3.09Å; V504-S508 PolarHBondContact O-OG 3.35Å; G506-S508 VanDerWaalsContact C-N 3.32Å; G506-S508 PolarHBondContact O-N 3.01Å; S508-L550 WeakPolarHBondContact OG-CD1 3.08Å; S508-W554 WeakPolarHBondContact O-CH2 3.27Å; S508-T561 CarbonylContact C-O 3.59Å; S508-T561 VanDerWaalsContact C-O 3.27Å; S508-T561 VanDerWaalsContact CA-O 3.28Å; S508-T561 WeakPolarHBondContact CA-O 3.48Å; S508-T561 PolarHBondContact O-N 2.63Å |
| 509 | K | 95.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.022 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -123.6 | 161.3 | -179.7 | -60.2 | 178.4 | -170.3 | -177.9 | 0 | 111.3 | L505 T507 Y511 W554 M556 | L505-K509 WeakPolarHBondContact O-CE 3.39Å; T507-K509 PolarHBondContact O-N 2.98Å; K509-Y511 HydrophobicContact CB-CD2 4.22Å; K509-Y511 HydrophobicContact CB-CE2 3.73Å; K509-Y511 HydrophobicContact CD-CE2 4.45Å; K509-W554 HydrophobicContact CG-CH2 3.82Å; K509-M556 HydrophobicContact CD-SD 4.49Å; K509-M556 WeakPolarHBondContact CE-SD 3.47Å; K509-M556 PolarHBondContact NZ-SD 3.47Å |
| 510 | L | 96.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 145.4 | 160.3 | -57 | -175.3 | 0 | 0 | 0 | 109.8 | I517 F518 L604 L608 C612 C613 T614 | L510-I517 HydrophobicContact CB-CG2 4.17Å; L510-I517 HydrophobicContact CD1-CG2 4.48Å; L510-F518 WeakPolarHBondContact CA-O 3.31Å; L510-L604 HydrophobicContact CD2-CD2 4.1Å; L510-L608 HydrophobicContact CD1-CD2 3.66Å; L510-C612 PolarHBondContact N-O 2.87Å; L510-C613 HydrophobicContact CB-CB 4.45Å; L510-C613 CarbonylContact O-C 3.51Å; L510-C613 VanDerWaalsContact O-CA 3.29Å; L510-C613 WeakPolarHBondContact O-CA 3.47Å; L510-T614 PolarHBondContact O-N 3.48Å |
| 511 | Y | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 118.3 | -176.1 | -75.1 | -83 | 0 | 0 | 0 | 111.3 | L479 Y483 G506 K509 I517 F518 F520 T614 L616 | L479-Y511 HydrophobicContact CD1-CD1 4.46Å; L479-Y511 HydrophobicContact CD1-CD2 4.33Å; L479-Y511 HydrophobicContact CD1-CE1 4.2Å; L479-Y511 HydrophobicContact CD1-CE2 4.05Å; L479-Y511 HydrophobicContact CD1-CG 4.49Å; L479-Y511 HydrophobicContact CD2-CD2 4.4Å; L479-Y511 HydrophobicContact CD2-CE2 3.56Å; L479-Y511 HydrophobicContact CG-CE2 4.45Å; Y483-Y511 HydrophobicContact CE2-CE1 4.14Å; G506-Y511 WeakPolarHBondContact O-CE2 3.27Å; G506-Y511 PolarHBondContact O-OH 3.37Å; G506-Y511 VanDerWaalsContact O-OH 3.05Å; K509-Y511 HydrophobicContact CB-CD2 4.22Å; K509-Y511 HydrophobicContact CB-CE2 3.73Å; K509-Y511 HydrophobicContact CD-CE2 4.45Å; Y511-I517 CarbonylContact O-C 3.41Å; Y511-I517 WeakPolarHBondContact O-CA 3.46Å; Y511-F518 PolarHBondContact N-O 3.22Å; Y511-F518 PolarHBondContact O-N 3.25Å; Y511-F520 AromaticContact CD2-CD2 3.63Å; Y511-F520 HydrophobicContact CD2-CD2 3.63Å; Y511-F520 AromaticContact CD2-CE2 3.55Å; Y511-F520 HydrophobicContact CD2-CE2 3.55Å; Y511-F520 AromaticContact CE2-CD2 3.96Å; Y511-F520 HydrophobicContact CE2-CD2 3.96Å; Y511-F520 HydrophobicContact CE2-CE2 4.17Å; Y511-F520 HydrophobicContact CG-CE2 4.07Å; Y511-T614 CarbonylContact C-O 3.6Å; Y511-T614 VanDerWaalsContact CA-O 3.27Å; Y511-T614 WeakPolarHBondContact CA-O 3.31Å; Y511-T614 HydrophobicContact CD1-CG2 4.37Å; Y511-T614 HydrophobicContact CE1-CG2 4.17Å; Y511-L616 HydrophobicContact CD1-CD1 3.8Å; Y511-L616 HydrophobicContact CD1-CD2 3.78Å; Y511-L616 HydrophobicContact CD1-CG 3.78Å; Y511-L616 HydrophobicContact CE1-CD1 4.3Å; Y511-L616 HydrophobicContact CE1-CD2 3.92Å; Y511-L616 HydrophobicContact CE1-CG 4.37Å |
| 512 | D | 92.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 24.2 Ų | 24.2 | 25% | 0.251 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 112.8 | 169.1 | -172.2 | -17.6 | 0 | 0 | 0 | 109.7 | K515 T614 H615 L616 | D512-K515 WeakPolarHBondContact OD1-CA 3.27Å; D512-K515 PolarHBondContact OD1-N 2.91Å; D512-T614 PolarHBondContact N-O 3.28Å; D512-H615 HydrophobicContact CB-CB 4.45Å; D512-H615 WeakPolarHBondContact O-CA 3.37Å; D512-H615 PolarHBondContact O-ND1 2.91Å; D512-L616 PolarHBondContact O-N 2.9Å |
| 513 | I | 90.7 | Very high | 92.7 | Very high | 12 Ų | 12 | 25.3 Ų | 25.3 | 6% | 0.062 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 113.7 | 176 | -46.5 | -179.5 | 0 | 0 | 0 | 107.3 | I482 K515 T516 F518 L616 M619 | I482-I513 HydrophobicContact CD1-CD1 3.86Å; I513-K515 VanDerWaalsContact C-N 3.29Å; I513-K515 PolarHBondContact O-N 3.25Å; I513-T516 PolarHBondContact N-O 3.04Å; I513-T516 WeakPolarHBondContact O-CB 3.31Å; I513-T516 PolarHBondContact O-N 2.86Å; I513-F518 HydrophobicContact CB-CD2 3.92Å; I513-F518 HydrophobicContact CB-CE2 3.85Å; I513-F518 HydrophobicContact CD1-CD2 3.78Å; I513-F518 HydrophobicContact CD1-CE2 4.16Å; I513-F518 HydrophobicContact CD1-CG 4.19Å; I513-F518 HydrophobicContact CG1-CD2 3.86Å; I513-F518 HydrophobicContact CG1-CE2 4.26Å; I513-L616 HydrophobicContact CD1-CD1 3.85Å; I513-L616 HydrophobicContact CG1-CB 4.26Å; I513-L616 HydrophobicContact CG1-CD1 4.01Å; I513-L616 HydrophobicContact CG1-CG 4.26Å; I513-M619 HydrophobicContact CG2-CB 3.96Å; I513-M619 HydrophobicContact CG2-CG 4.34Å |
| 514 | R | 86.7 | Confident | 92.6 | Very high | 70 Ų | 70 | 25.3 Ų | 25.3 | 26% | 0.264 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 44.1 | -178.8 | -58.5 | 179.6 | -176.6 | 172.9 | 4.5 | 113.4 | T516 M619 D620 D655 | R514-T516 PolarHBondContact O-N 3.33Å; R514-M619 VanDerWaalsContact CZ-O 3.28Å; R514-M619 PolarHBondContact NE-O 3.25Å; R514-M619 PolarHBondContact NH2-O 3.36Å; R514-D620 WeakPolarHBondContact CG-OD1 3.48Å; R514-D655 PolarHBondContact NH1-O 3.32Å |
| 515 | K | 86.3 | Confident | 92.2 | Very high | 195 Ų | 195 | 25.6 Ų | 25.6 | 85% | 0.848 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 15.2 | -177.9 | -49.3 | 176.5 | -176.8 | 174.3 | 0 | 114.9 | D512 I513 | D512-K515 WeakPolarHBondContact OD1-CA 3.27Å; D512-K515 PolarHBondContact OD1-N 2.91Å; I513-K515 VanDerWaalsContact C-N 3.29Å; I513-K515 PolarHBondContact O-N 3.25Å |
| 516 | T | 92 | Very high | 91.4 | Very high | 44 Ų | 44 | 26.2 Ų | 26.2 | 27% | 0.27 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128 | 172.2 | -58.5 | 0 | 0 | 0 | 0 | 108.4 | R472 I513 R514 F518 | R472-T516 HydrophobicContact CG-CG2 4.01Å; I513-T516 PolarHBondContact N-O 3.04Å; I513-T516 WeakPolarHBondContact O-CB 3.31Å; I513-T516 PolarHBondContact O-N 2.86Å; R514-T516 PolarHBondContact O-N 3.33Å; T516-F518 HydrophobicContact CG2-CD2 4.2Å; T516-F518 HydrophobicContact CG2-CE2 3.65Å; T516-F518 HydrophobicContact CG2-CZ 4.09Å; T516-F518 VanDerWaalsContact O-CD2 3.32Å; T516-F518 WeakPolarHBondContact O-CD2 3.29Å |
| 517 | I | 95.3 | Very high | 90.2 | Very high | 50 Ų | 50 | 29.1 Ų | 29.1 | 26% | 0.256 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 127.7 | 177.8 | -55.2 | 179.4 | 0 | 0 | 0 | 109 | I471 R472 L510 Y511 L608 | I471-I517 CarbonylContact C-O 3.56Å; I471-I517 WeakPolarHBondContact CA-O 3.45Å; I471-I517 HydrophobicContact CG1-CB 4.38Å; I471-I517 HydrophobicContact CG1-CG2 4.4Å; I471-I517 HydrophobicContact CG2-CG2 4.21Å; R472-I517 PolarHBondContact N-O 3.28Å; L510-I517 HydrophobicContact CB-CG2 4.17Å; L510-I517 HydrophobicContact CD1-CG2 4.48Å; Y511-I517 CarbonylContact O-C 3.41Å; Y511-I517 WeakPolarHBondContact O-CA 3.46Å; I517-L608 HydrophobicContact CD1-CD2 3.78Å; I517-L608 HydrophobicContact CG2-CD2 4.4Å |
| 518 | F | 96.8 | Very high | 88.8 | Confident | 20 Ų | 20 | 34.5 Ų | 34.5 | 9% | 0.088 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 149.3 | 172.7 | -69.6 | -100.6 | 0 | 0 | 0 | 110.6 | R472 Q474 L510 Y511 I513 T516 F520 | R472-F518 HydrophobicContact CB-CD1 3.64Å; R472-F518 HydrophobicContact CB-CE1 3.76Å; R472-F518 HydrophobicContact CB-CG 4.24Å; R472-F518 HydrophobicContact CB-CZ 4.44Å; R472-F518 HydrophobicContact CG-CE1 4.31Å; R472-F518 CarbonylContact O-C 3.36Å; R472-F518 VanDerWaalsContact O-CA 3.29Å; R472-F518 WeakPolarHBondContact O-CA 3.31Å; Q474-F518 HydrophobicContact CG-CD1 4Å; Q474-F518 HydrophobicContact CG-CE1 4.27Å; L510-F518 WeakPolarHBondContact CA-O 3.31Å; Y511-F518 PolarHBondContact N-O 3.22Å; Y511-F518 PolarHBondContact O-N 3.25Å; I513-F518 HydrophobicContact CB-CD2 3.92Å; I513-F518 HydrophobicContact CB-CE2 3.85Å; I513-F518 HydrophobicContact CD1-CD2 3.78Å; I513-F518 HydrophobicContact CD1-CE2 4.16Å; I513-F518 HydrophobicContact CD1-CG 4.19Å; I513-F518 HydrophobicContact CG1-CD2 3.86Å; I513-F518 HydrophobicContact CG1-CE2 4.26Å; T516-F518 HydrophobicContact CG2-CD2 4.2Å; T516-F518 HydrophobicContact CG2-CE2 3.65Å; T516-F518 HydrophobicContact CG2-CZ 4.09Å; T516-F518 VanDerWaalsContact O-CD2 3.32Å; T516-F518 WeakPolarHBondContact O-CD2 3.29Å; F518-F520 HydrophobicContact CB-CE2 3.87Å; F518-F520 HydrophobicContact CB-CZ 3.98Å |
| 519 | T | 96.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 148.3 | 165.5 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | I471 R472 V473 Q474 T563 L604 | I471-T519 HydrophobicContact CG2-CG2 4.04Å; R472-T519 PolarHBondContact O-N 3.05Å; V473-T519 WeakPolarHBondContact CA-O 3.31Å; V473-T519 HydrophobicContact CB-CG2 4.32Å; V473-T519 HydrophobicContact CG1-CG2 4.47Å; V473-T519 HydrophobicContact CG2-CG2 3.89Å; Q474-T519 PolarHBondContact N-O 2.98Å; T519-T563 HydrophobicContact CG2-CG2 4.09Å; T519-T563 WeakPolarHBondContact CG2-OG1 3.27Å; T519-T563 PolarHBondContact OG1-OG1 2.65Å; T519-L604 HydrophobicContact CG2-CD1 3.9Å; T519-L604 HydrophobicContact CG2-CD2 4.29Å |
| 520 | F | 95.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135.8 | -174.8 | -62.8 | -86.5 | 0 | 0 | 0 | 111.1 | Q474 I478 L479 I482 T507 Y511 F518 | Q474-F520 HydrophobicContact CB-CD1 3.76Å; Q474-F520 HydrophobicContact CB-CE1 3.64Å; Q474-F520 HydrophobicContact CG-CE1 4.47Å; Q474-F520 CarbonylContact O-C 3.59Å; Q474-F520 VanDerWaalsContact O-CA 3.22Å; Q474-F520 WeakPolarHBondContact O-CA 3.2Å; I478-F520 HydrophobicContact CB-CE1 4.16Å; I478-F520 HydrophobicContact CG2-CE1 4.31Å; L479-F520 HydrophobicContact CB-CD1 3.81Å; L479-F520 HydrophobicContact CB-CD2 4.16Å; L479-F520 HydrophobicContact CB-CE1 3.78Å; L479-F520 HydrophobicContact CB-CE2 4.15Å; L479-F520 HydrophobicContact CB-CG 4Å; L479-F520 HydrophobicContact CB-CZ 3.96Å; L479-F520 HydrophobicContact CD1-CD2 4.16Å; L479-F520 HydrophobicContact CD1-CE2 3.65Å; L479-F520 HydrophobicContact CD1-CZ 3.88Å; L479-F520 HydrophobicContact CD2-CB 4.48Å; L479-F520 HydrophobicContact CD2-CD2 3.73Å; L479-F520 HydrophobicContact CD2-CE2 4.13Å; L479-F520 HydrophobicContact CD2-CG 4.04Å; L479-F520 HydrophobicContact CG-CD2 4.24Å; L479-F520 HydrophobicContact CG-CE2 4.19Å; L479-F520 HydrophobicContact CG-CZ 4.4Å; I482-F520 HydrophobicContact CD1-CZ 4.23Å; T507-F520 HydrophobicContact CG2-CB 4.33Å; Y511-F520 AromaticContact CD2-CD2 3.63Å; Y511-F520 HydrophobicContact CD2-CD2 3.63Å; Y511-F520 AromaticContact CD2-CE2 3.55Å; Y511-F520 HydrophobicContact CD2-CE2 3.55Å; Y511-F520 AromaticContact CE2-CD2 3.96Å; Y511-F520 HydrophobicContact CE2-CD2 3.96Å; Y511-F520 HydrophobicContact CE2-CE2 4.17Å; Y511-F520 HydrophobicContact CG-CE2 4.07Å; F518-F520 HydrophobicContact CB-CE2 3.87Å; F518-F520 HydrophobicContact CB-CZ 3.98Å |
| 521 | T | 93.5 | Very high | 85.8 | Confident | 16 Ų | 16 | 37.2 Ų | 37.2 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 148.8 | 176 | 64.3 | 0 | 0 | 0 | 0 | 110 | V473 Q474 P565 | V473-T521 HydrophobicContact CG1-CG2 3.74Å; Q474-T521 PolarHBondContact O-N 3.02Å; T521-P565 HydrophobicContact CG2-CG 3.92Å |
| 522 | P | 90.7 | Very high | 85.3 | Confident | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | trans | -51.4 | 143.2 | 171.9 | -28.2 | 34.4 | 0 | 0 | 0 | 112.8 | F524 I525 I562 T563 | P522-F524 VanDerWaalsContact C-N 3.34Å; P522-F524 HydrophobicContact CB-CD1 3.73Å; P522-F524 HydrophobicContact CB-CE1 3.39Å; P522-F524 HydrophobicContact CB-CG 4.48Å; P522-F524 HydrophobicContact CB-CZ 3.9Å; P522-F524 HydrophobicContact CG-CE1 4.13Å; P522-F524 HydrophobicContact CG-CZ 4.32Å; P522-F524 PolarHBondContact O-N 3.13Å; P522-I525 HydrophobicContact CB-CD1 4.17Å; P522-I525 HydrophobicContact CB-CG1 4.37Å; P522-I525 HydrophobicContact CG-CD1 4.12Å; P522-I525 PolarHBondContact O-N 3.27Å; P522-I562 HydrophobicContact CG-CG2 3.68Å; P522-T563 WeakPolarHBondContact CD-O 3.5Å | ||
| 523 | Q | 85.7 | Confident | 84.9 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 12% | 0.117 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -56.3 | -46.5 | -177.8 | -172.8 | 64.8 | 57.2 | 0 | 0 | 111.4 | A476 L501 I525 D526 E780 | A476-Q523 HydrophobicContact CB-CB 4.39Å; A476-Q523 VanDerWaalsContact CB-OE1 3.29Å; L501-Q523 HydrophobicContact CD1-CG 4.48Å; Q523-I525 PolarHBondContact O-N 3.03Å; Q523-D526 WeakPolarHBondContact O-CB 3.42Å; Q523-D526 PolarHBondContact O-N 3.11Å; Q523-E780 PolarHBondContact NE2-OE1 3.18Å |
| 524 | F | 85.2 | Confident | 84.8 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 8% | 0.075 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -61.3 | -5.1 | -175.2 | 70.9 | -102.9 | 0 | 0 | 0 | 116.5 | P522 A533 I539 M542 L543 D546 F564 E780 | P522-F524 VanDerWaalsContact C-N 3.34Å; P522-F524 HydrophobicContact CB-CD1 3.73Å; P522-F524 HydrophobicContact CB-CE1 3.39Å; P522-F524 HydrophobicContact CB-CG 4.48Å; P522-F524 HydrophobicContact CB-CZ 3.9Å; P522-F524 HydrophobicContact CG-CE1 4.13Å; P522-F524 HydrophobicContact CG-CZ 4.32Å; P522-F524 PolarHBondContact O-N 3.13Å; F524-A533 WeakPolarHBondContact O-CB 3.04Å; F524-I539 HydrophobicContact CE2-CG2 4.22Å; F524-M542 HydrophobicContact CB-CB 4.27Å; F524-M542 HydrophobicContact CB-CE 3.96Å; F524-M542 HydrophobicContact CB-SD 3.86Å; F524-M542 HydrophobicContact CD1-CB 4.12Å; F524-M542 HydrophobicContact CD2-CB 3.9Å; F524-M542 HydrophobicContact CD2-CE 3.87Å; F524-M542 HydrophobicContact CE1-CB 4.46Å; F524-M542 HydrophobicContact CE2-CB 4.27Å; F524-M542 HydrophobicContact CG-CB 3.84Å; F524-M542 HydrophobicContact CG-CE 4.24Å; F524-M542 HydrophobicContact CG-SD 4.41Å; F524-L543 HydrophobicContact CE2-CB 4.34Å; F524-L543 HydrophobicContact CZ-CB 3.77Å; F524-L543 HydrophobicContact CZ-CD1 4.15Å; F524-D546 VanDerWaalsContact CD1-OD2 3.32Å; F524-D546 WeakPolarHBondContact CD1-OD2 3.32Å; F524-D546 HydrophobicContact CE1-CB 4.47Å; F524-D546 VanDerWaalsContact CE1-OD2 3.27Å; F524-D546 WeakPolarHBondContact CE1-OD2 3.24Å; F524-F564 HydrophobicContact CE2-CE2 4.11Å; F524-F564 HydrophobicContact CZ-CE2 4.16Å; F524-E780 WeakPolarHBondContact CA-OE2 3.48Å |
| 525 | I | 84.1 | Confident | 84.9 | Confident | 21 Ų | 21 | 33.6 Ų | 33.6 | 11% | 0.108 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -94.9 | -11 | 177.5 | -53.9 | 176.2 | 0 | 0 | 0 | 110.9 | P522 Q523 Q527 F564 P565 M570 | P522-I525 HydrophobicContact CB-CD1 4.17Å; P522-I525 HydrophobicContact CB-CG1 4.37Å; P522-I525 HydrophobicContact CG-CD1 4.12Å; P522-I525 PolarHBondContact O-N 3.27Å; Q523-I525 PolarHBondContact O-N 3.03Å; I525-Q527 PolarHBondContact O-N 3.47Å; I525-F564 HydrophobicContact CD1-CD2 3.49Å; I525-F564 VanDerWaalsContact CD1-CD2 3.49Å; I525-F564 HydrophobicContact CD1-CE2 3.5Å; I525-F564 VanDerWaalsContact CD1-CE2 3.5Å; I525-F564 HydrophobicContact CD1-CG 4.49Å; I525-F564 HydrophobicContact CG1-CE2 4.35Å; I525-P565 HydrophobicContact CG2-CG 4.34Å; I525-M570 HydrophobicContact CG2-CE 4.35Å |
| 526 | D | 76.8 | Confident | 85.2 | Confident | 16 Ų | 16 | 24.6 Ų | 24.6 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | trans | -75.6 | 81.6 | -176.9 | -163.2 | -4.4 | 0 | 0 | 0 | 112.7 | R477 Q523 Q528 Q529 | R477-D526 IonicContact CZ-OD2 3.7Å; R477-D526 IonicContact NH1-OD1 2.72Å; R477-D526 PolarHBondContact NH1-OD1 3.42Å; R477-D526 IonicContact NH1-OD2 3.26Å; R477-D526 PolarHBondContact NH1-OD2 3.14Å; Q523-D526 WeakPolarHBondContact O-CB 3.42Å; Q523-D526 PolarHBondContact O-N 3.11Å; D526-Q528 PolarHBondContact O-N 2.88Å; D526-Q529 HydrophobicContact CB-CG 4.46Å; D526-Q529 PolarHBondContact O-N 3.32Å | ||
| 527 | Q | 67.1 | Low | 85.2 | Confident | 63 Ų | 63 | 27.3 Ų | 27.3 | 29% | 0.294 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -16.1 | -178.8 | -62.3 | -178.8 | 2.1 | 0 | 0 | 114.6 | I525 Q529 A533 T569 | I525-Q527 PolarHBondContact O-N 3.47Å; Q527-Q529 VanDerWaalsContact C-N 3.31Å; Q527-A533 HydrophobicContact CG-CB 3.98Å; Q527-T569 PolarHBondContact NE2-OG1 2.97Å |
| 528 | Q | 65.8 | Low | 84.9 | Confident | 114 Ų | 114 | 25 Ų | 25 | 53% | 0.533 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -34.3 | 175.2 | -61.7 | -171.8 | -17.8 | 0 | 0 | 111.4 | D526 K777 | D526-Q528 PolarHBondContact O-N 2.88Å; Q528-K777 PolarHBondContact O-NZ 3.17Å |
| 529 | Q | 65.9 | Low | 84.7 | Confident | 59 Ų | 59 | 24 Ų | 24 | 28% | 0.276 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -59.2 | -177.8 | -58.2 | -57.2 | -42.7 | 0 | 0 | 112.4 | D526 Q527 K777 E780 | D526-Q529 HydrophobicContact CB-CG 4.46Å; D526-Q529 PolarHBondContact O-N 3.32Å; Q527-Q529 VanDerWaalsContact C-N 3.31Å; Q529-K777 WeakPolarHBondContact O-CB 3.42Å; Q529-E780 HydrophobicContact CB-CG 3.76Å; Q529-E780 WeakPolarHBondContact CB-OE1 3.37Å; Q529-E780 HydrophobicContact CG-CG 4.36Å; Q529-E780 WeakPolarHBondContact CG-OE1 3.44Å |
| 530 | F | 75.3 | Confident | 84.5 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.035 | 12% | 0.119 | C | C | . | . | trans | -150.5 | 157.4 | -168.3 | -155.2 | -122.4 | 0 | 0 | 0 | 114.6 | L532 K777 V779 E780 T834 E838 | F530-L532 HydrophobicContact CD1-CB 4.4Å; F530-L532 HydrophobicContact CD1-CD1 3.83Å; F530-L532 HydrophobicContact CD1-CG 3.61Å; F530-L532 HydrophobicContact CE1-CD1 4.01Å; F530-L532 HydrophobicContact CE1-CD2 4.33Å; F530-L532 HydrophobicContact CE1-CG 3.73Å; F530-L532 PolarHBondContact O-N 3.14Å; F530-K777 HydrophobicContact CD2-CB 4.19Å; F530-V779 HydrophobicContact CD1-CG1 4.38Å; F530-V779 HydrophobicContact CD1-CG2 4.4Å; F530-V779 HydrophobicContact CD2-CG2 4.04Å; F530-V779 HydrophobicContact CE1-CB 4.43Å; F530-V779 HydrophobicContact CE1-CG1 4.18Å; F530-V779 HydrophobicContact CE1-CG2 3.91Å; F530-V779 HydrophobicContact CE2-CB 4.45Å; F530-V779 HydrophobicContact CE2-CG2 3.49Å; F530-V779 VanDerWaalsContact CE2-CG2 3.49Å; F530-V779 HydrophobicContact CG-CG2 4.49Å; F530-V779 HydrophobicContact CZ-CB 4.4Å; F530-V779 HydrophobicContact CZ-CG2 3.44Å; F530-V779 VanDerWaalsContact CZ-CG2 3.44Å; F530-E780 HydrophobicContact CB-CG 4.42Å; F530-T834 HydrophobicContact CE2-CG2 4.5Å; F530-T834 HydrophobicContact CZ-CG2 4.27Å; F530-E838 HydrophobicContact CE1-CG 4.49Å | ||
| 531 | Y | 83.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -84.3 | -1.7 | -169.8 | 57.8 | -94.6 | 0 | 0 | 0 | 116.1 | A533 L534 Y756 I768 R769 S772 T834 E838 P893 | Y531-A533 PolarHBondContact O-N 3.17Å; Y531-A533 VanDerWaalsContact O-N 3.13Å; Y531-L534 WeakPolarHBondContact O-CB 3.32Å; Y531-L534 PolarHBondContact O-N 3.31Å; Y531-Y756 WeakPolarHBondContact CB-OH 3.47Å; Y531-I768 VanDerWaalsContact CB-CG2 3.49Å; Y531-I768 HydrophobicContact CD1-CG2 3.78Å; Y531-I768 HydrophobicContact CD2-CG2 3.89Å; Y531-I768 HydrophobicContact CE1-CG2 4.47Å; Y531-I768 HydrophobicContact CG-CG2 3.44Å; Y531-I768 VanDerWaalsContact CG-CG2 3.44Å; Y531-R769 HydrophobicContact CE2-CG 4.31Å; Y531-R769 WeakPolarHBondContact OH-CG 3.45Å; Y531-S772 WeakPolarHBondContact CD1-OG 3.38Å; Y531-S772 WeakPolarHBondContact CE1-OG 3.43Å; Y531-T834 HydrophobicContact CE1-CG2 4.1Å; Y531-T834 WeakPolarHBondContact OH-CG2 3.5Å; Y531-E838 WeakPolarHBondContact CE2-OE1 3.24Å; Y531-E838 PolarHBondContact OH-OE1 3.26Å; Y531-P893 HydrophobicContact CD2-CG 4.48Å |
| 532 | L | 86.1 | Confident | 84.1 | Confident | 15 Ų | 15 | 26.5 Ų | 26.5 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -57.9 | -29.3 | 177.8 | -67 | 173.9 | 0 | 0 | 0 | 112.2 | F530 L534 D535 M538 M542 E838 Y842 P893 | F530-L532 HydrophobicContact CD1-CB 4.4Å; F530-L532 HydrophobicContact CD1-CD1 3.83Å; F530-L532 HydrophobicContact CD1-CG 3.61Å; F530-L532 HydrophobicContact CE1-CD1 4.01Å; F530-L532 HydrophobicContact CE1-CD2 4.33Å; F530-L532 HydrophobicContact CE1-CG 3.73Å; F530-L532 PolarHBondContact O-N 3.14Å; L532-L534 PolarHBondContact O-N 3.5Å; L532-D535 PolarHBondContact O-N 2.93Å; L532-M538 HydrophobicContact CB-CG 4.39Å; L532-M538 HydrophobicContact CD2-CE 4.49Å; L532-M542 HydrophobicContact CB-CE 4.31Å; L532-M542 HydrophobicContact CB-SD 4.39Å; L532-E838 HydrophobicContact CD2-CG 4.42Å; L532-Y842 HydrophobicContact CD2-CE1 4.04Å; L532-Y842 VanDerWaalsContact CD2-OH 3.23Å; L532-Y842 WeakPolarHBondContact CD2-OH 3.4Å; L532-P893 HydrophobicContact CD2-CB 3.7Å; L532-P893 HydrophobicContact CD2-CG 3.97Å |
| 533 | A | 84.3 | Confident | 84.1 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -72.6 | -4.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | F524 Q527 Y531 I539 | F524-A533 WeakPolarHBondContact O-CB 3.04Å; Q527-A533 HydrophobicContact CG-CB 3.98Å; Y531-A533 PolarHBondContact O-N 3.17Å; Y531-A533 VanDerWaalsContact O-N 3.13Å; A533-I539 WeakPolarHBondContact O-CD1 3.47Å |
| 534 | L | 87 | Confident | 84.4 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 12% | 0.115 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -83.4 | -17.1 | 173.5 | -58.7 | -178.3 | 0 | 0 | 0 | 112.5 | Y531 L532 R763 W765 I768 | Y531-L534 WeakPolarHBondContact O-CB 3.32Å; Y531-L534 PolarHBondContact O-N 3.31Å; L532-L534 PolarHBondContact O-N 3.5Å; L534-R763 PolarHBondContact O-NE 2.7Å; L534-W765 HydrophobicContact CB-CH2 4.03Å; L534-W765 HydrophobicContact CB-CZ3 4.1Å; L534-I768 HydrophobicContact CD1-CD1 4.28Å |
| 535 | D | 90.3 | Very high | 84.6 | Confident | 13 Ų | 13 | 28.6 Ų | 28.6 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | trans | -95.1 | 105.1 | 174.5 | -178.1 | -20.2 | 0 | 0 | 0 | 109.7 | L532 Q537 M538 I539 W765 S892 P893 S894 | L532-D535 PolarHBondContact O-N 2.93Å; D535-Q537 PolarHBondContact O-N 3.43Å; D535-Q537 WeakPolarHBondContact OD1-CA 3.49Å; D535-Q537 WeakPolarHBondContact OD1-CB 3.47Å; D535-Q537 PolarHBondContact OD1-N 3.09Å; D535-M538 HydrophobicContact CB-CB 3.74Å; D535-M538 CarbonylContact O-C 3.6Å; D535-M538 WeakPolarHBondContact O-CA 3.26Å; D535-M538 WeakPolarHBondContact O-CB 3.35Å; D535-M538 PolarHBondContact O-N 3.11Å; D535-M538 PolarHBondContact OD1-N 3.36Å; D535-M538 VanDerWaalsContact OD1-N 3.14Å; D535-I539 PolarHBondContact O-N 3.11Å; D535-W765 HydrophobicContact CB-CH2 3.76Å; D535-W765 HydrophobicContact CB-CZ2 4.22Å; D535-W765 HydrophobicContact CB-CZ3 4.49Å; D535-S892 WeakPolarHBondContact OD2-CB 3.38Å; D535-S892 PolarHBondContact OD2-OG 3.29Å; D535-P893 HydrophobicContact CB-CB 4.18Å; D535-P893 HydrophobicContact CB-CG 4.03Å; D535-S894 PolarHBondContact OD1-OG 3.13Å; D535-S894 WeakPolarHBondContact OD2-CB 3.37Å; D535-S894 PolarHBondContact OD2-N 3.43Å; D535-S894 PolarHBondContact OD2-OG 2.91Å | ||
| 536 | N | 91 | Very high | 84.9 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.7 | -30.4 | 179.4 | -75.1 | -32 | 0 | 0 | 0 | 113.3 | V540 T569 M570 N579 S581 I582 R763 | N536-V540 VanDerWaalsContact O-CG2 3.28Å; N536-V540 WeakPolarHBondContact O-CG2 3.33Å; N536-V540 PolarHBondContact O-N 2.91Å; N536-T569 PolarHBondContact ND2-O 3.39Å; N536-T569 PolarHBondContact OD1-O 3.05Å; N536-M570 WeakPolarHBondContact OD1-CA 3.41Å; N536-N579 HydrophobicContact CB-CB 4.41Å; N536-N579 PolarHBondContact ND2-ND2 2.68Å; N536-S581 PolarHBondContact O-OG 3.07Å; N536-I582 HydrophobicContact CB-CD1 4.07Å; N536-I582 HydrophobicContact CB-CG1 3.98Å; N536-R763 PolarHBondContact ND2-NH2 3.06Å |
| 537 | Q | 92.3 | Very high | 85.7 | Confident | 102 Ų | 102 | 28 Ų | 28 | 48% | 0.477 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -74.4 | -31.8 | 174.5 | -176.6 | 170.3 | -9 | 0 | 0 | 111.6 | D535 E541 | D535-Q537 PolarHBondContact O-N 3.43Å; D535-Q537 WeakPolarHBondContact OD1-CA 3.49Å; D535-Q537 WeakPolarHBondContact OD1-CB 3.47Å; D535-Q537 PolarHBondContact OD1-N 3.09Å; Q537-E541 PolarHBondContact O-N 2.91Å; Q537-E541 VanDerWaalsContact O-N 3.17Å |
| 538 | M | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.6 | -43 | 172.2 | -170 | 63.1 | -173.2 | 0 | 0 | 111.7 | L532 D535 V540 E541 M542 Y842 M845 P893 K897 | L532-M538 HydrophobicContact CB-CG 4.39Å; L532-M538 HydrophobicContact CD2-CE 4.49Å; D535-M538 HydrophobicContact CB-CB 3.74Å; D535-M538 CarbonylContact O-C 3.6Å; D535-M538 WeakPolarHBondContact O-CA 3.26Å; D535-M538 WeakPolarHBondContact O-CB 3.35Å; D535-M538 PolarHBondContact O-N 3.11Å; D535-M538 PolarHBondContact OD1-N 3.36Å; D535-M538 VanDerWaalsContact OD1-N 3.14Å; M538-V540 VanDerWaalsContact C-N 3.29Å; M538-V540 PolarHBondContact O-N 2.9Å; M538-E541 PolarHBondContact O-N 2.71Å; M538-M542 HydrophobicContact CE-CG 3.89Å; M538-M542 HydrophobicContact CE-SD 3.91Å; M538-M542 HydrophobicContact CG-CE 4.02Å; M538-M542 HydrophobicContact CG-CG 4.4Å; M538-M542 HydrophobicContact CG-SD 4.19Å; M538-M542 WeakPolarHBondContact O-CG 3.4Å; M538-M542 PolarHBondContact O-N 2.71Å; M538-Y842 HydrophobicContact CE-CD1 3.92Å; M538-Y842 HydrophobicContact CE-CE1 3.53Å; M538-Y842 HydrophobicContact SD-CE1 4.28Å; M538-M845 HydrophobicContact CE-CE 3.87Å; M538-M845 HydrophobicContact CE-SD 3.59Å; M538-M845 VanDerWaalsContact CE-SD 3.59Å; M538-P893 HydrophobicContact CB-CB 4.17Å; M538-P893 HydrophobicContact CG-CB 4.05Å; M538-K897 HydrophobicContact CE-CD 4.18Å; M538-K897 HydrophobicContact SD-CD 3.91Å |
| 539 | I | 91.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -51.4 | -49.4 | 171.6 | -71.3 | 164.4 | 0 | 0 | 0 | 110.8 | F524 A533 D535 E541 M542 L543 F564 M570 I582 | F524-I539 HydrophobicContact CE2-CG2 4.22Å; A533-I539 WeakPolarHBondContact O-CD1 3.47Å; D535-I539 PolarHBondContact O-N 3.11Å; I539-E541 VanDerWaalsContact C-N 3.27Å; I539-E541 PolarHBondContact O-N 2.6Å; I539-M542 HydrophobicContact CG1-CE 4.42Å; I539-M542 PolarHBondContact O-N 2.81Å; I539-L543 WeakPolarHBondContact O-CB 3.4Å; I539-L543 PolarHBondContact O-N 2.95Å; I539-F564 HydrophobicContact CG2-CE2 4.28Å; I539-F564 HydrophobicContact CG2-CZ 3.91Å; I539-M570 HydrophobicContact CD1-CE 4.2Å; I539-M570 HydrophobicContact CD1-CG 4.47Å; I539-M570 HydrophobicContact CG2-CE 4.44Å; I539-I582 HydrophobicContact CG2-CD1 4.19Å |
| 540 | V | 92.9 | Very high | 89.1 | Confident | 10 Ų | 10 | 20.4 Ų | 20.4 | 6% | 0.061 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.7 | -32.9 | 179.7 | 169.1 | 0 | 0 | 0 | 0 | 112.4 | N536 M538 R544 I582 A585 F594 | N536-V540 VanDerWaalsContact O-CG2 3.28Å; N536-V540 WeakPolarHBondContact O-CG2 3.33Å; N536-V540 PolarHBondContact O-N 2.91Å; M538-V540 VanDerWaalsContact C-N 3.29Å; M538-V540 PolarHBondContact O-N 2.9Å; V540-R544 WeakPolarHBondContact O-CB 3.37Å; V540-R544 PolarHBondContact O-N 2.98Å; V540-R544 VanDerWaalsContact O-N 3.07Å; V540-I582 HydrophobicContact CG2-CD1 3.85Å; V540-A585 HydrophobicContact CG1-CB 3.86Å; V540-A585 HydrophobicContact CG2-CB 3.87Å; V540-F594 HydrophobicContact CG1-CZ 3.96Å |
| 541 | E | 89.6 | Confident | 89.9 | Confident | 41 Ų | 41 | 21.7 Ų | 21.7 | 19% | 0.192 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -77.9 | -35.9 | 177.1 | -177 | 69.4 | 170 | 0 | 0 | 112.8 | Q537 M538 I539 R544 T545 M845 K897 | Q537-E541 PolarHBondContact O-N 2.91Å; Q537-E541 VanDerWaalsContact O-N 3.17Å; M538-E541 PolarHBondContact O-N 2.71Å; I539-E541 VanDerWaalsContact C-N 3.27Å; I539-E541 PolarHBondContact O-N 2.6Å; E541-R544 WeakPolarHBondContact O-CB 3.44Å; E541-R544 PolarHBondContact O-N 2.86Å; E541-R544 WeakPolarHBondContact OE2-CD 3.49Å; E541-R544 IonicContact OE2-CZ 3.19Å; E541-R544 IonicContact OE2-NE 2.77Å; E541-R544 IonicContact OE2-NH1 3.87Å; E541-R544 PolarHBondContact OE2-NH1 2.93Å; E541-T545 WeakPolarHBondContact O-CB 3.33Å; E541-T545 PolarHBondContact O-N 3.44Å; E541-T545 PolarHBondContact O-OG1 3.26Å; E541-M845 HydrophobicContact CG-CE 4.11Å; E541-K897 HydrophobicContact CG-CD 4.3Å; E541-K897 IonicContact OE1-NZ 3.73Å; E541-K897 PolarHBondContact OE1-NZ 3Å |
| 542 | M | 90.2 | Very high | 90 | Very high | 18 Ų | 18 | 24.4 Ų | 24.4 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.9 | -50.8 | 173.6 | -66.6 | -176.3 | -61.2 | 0 | 0 | 110.3 | F524 L532 M538 I539 R544 T545 D546 M845 | F524-M542 HydrophobicContact CB-CB 4.27Å; F524-M542 HydrophobicContact CB-CE 3.96Å; F524-M542 HydrophobicContact CB-SD 3.86Å; F524-M542 HydrophobicContact CD1-CB 4.12Å; F524-M542 HydrophobicContact CD2-CB 3.9Å; F524-M542 HydrophobicContact CD2-CE 3.87Å; F524-M542 HydrophobicContact CE1-CB 4.46Å; F524-M542 HydrophobicContact CE2-CB 4.27Å; F524-M542 HydrophobicContact CG-CB 3.84Å; F524-M542 HydrophobicContact CG-CE 4.24Å; F524-M542 HydrophobicContact CG-SD 4.41Å; L532-M542 HydrophobicContact CB-CE 4.31Å; L532-M542 HydrophobicContact CB-SD 4.39Å; M538-M542 HydrophobicContact CE-CG 3.89Å; M538-M542 HydrophobicContact CE-SD 3.91Å; M538-M542 HydrophobicContact CG-CE 4.02Å; M538-M542 HydrophobicContact CG-CG 4.4Å; M538-M542 HydrophobicContact CG-SD 4.19Å; M538-M542 WeakPolarHBondContact O-CG 3.4Å; M538-M542 PolarHBondContact O-N 2.71Å; I539-M542 HydrophobicContact CG1-CE 4.42Å; I539-M542 PolarHBondContact O-N 2.81Å; M542-R544 VanDerWaalsContact C-N 3.28Å; M542-R544 PolarHBondContact O-N 3.34Å; M542-T545 WeakPolarHBondContact O-CB 3.49Å; M542-T545 PolarHBondContact O-N 2.93Å; M542-D546 PolarHBondContact O-N 2.93Å; M542-M845 HydrophobicContact CG-CE 3.94Å |
| 543 | L | 92.1 | Very high | 90 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.2 | -43.1 | 173.1 | 179.9 | 62.9 | 0 | 0 | 0 | 112 | F524 I539 T545 D546 L547 I562 F564 M589 | F524-L543 HydrophobicContact CE2-CB 4.34Å; F524-L543 HydrophobicContact CZ-CB 3.77Å; F524-L543 HydrophobicContact CZ-CD1 4.15Å; I539-L543 WeakPolarHBondContact O-CB 3.4Å; I539-L543 PolarHBondContact O-N 2.95Å; L543-T545 VanDerWaalsContact C-N 3.35Å; L543-T545 PolarHBondContact O-N 3.05Å; L543-D546 PolarHBondContact O-N 2.79Å; L543-L547 HydrophobicContact CD1-CD1 3.96Å; L543-L547 HydrophobicContact CD1-CG 4.1Å; L543-L547 HydrophobicContact CG-CD1 3.84Å; L543-L547 HydrophobicContact CG-CG 4.4Å; L543-L547 WeakPolarHBondContact O-CB 3.45Å; L543-L547 WeakPolarHBondContact O-CG 3.47Å; L543-L547 PolarHBondContact O-N 2.94Å; L543-I562 HydrophobicContact CD1-CD1 4.23Å; L543-F564 HydrophobicContact CD1-CD2 4.06Å; L543-F564 HydrophobicContact CD1-CE2 4.27Å; L543-F564 HydrophobicContact CD2-CD2 4.14Å; L543-F564 HydrophobicContact CD2-CE1 4.35Å; L543-F564 HydrophobicContact CD2-CE2 3.86Å; L543-F564 HydrophobicContact CD2-CZ 3.98Å; L543-F564 HydrophobicContact CG-CE2 4.44Å; L543-M589 HydrophobicContact CD2-CE 3.97Å; L543-M589 HydrophobicContact CD2-SD 4.03Å |
| 544 | R | 91.9 | Very high | 90.3 | Very high | 80 Ų | 80 | 26.6 Ų | 26.6 | 30% | 0.302 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -59 | -44.5 | 175 | 175.1 | 177.8 | -61.4 | 124.4 | 9.2 | 112.4 | V540 E541 M542 S548 F594 | V540-R544 WeakPolarHBondContact O-CB 3.37Å; V540-R544 PolarHBondContact O-N 2.98Å; V540-R544 VanDerWaalsContact O-N 3.07Å; E541-R544 WeakPolarHBondContact O-CB 3.44Å; E541-R544 PolarHBondContact O-N 2.86Å; E541-R544 WeakPolarHBondContact OE2-CD 3.49Å; E541-R544 IonicContact OE2-CZ 3.19Å; E541-R544 IonicContact OE2-NE 2.77Å; E541-R544 IonicContact OE2-NH1 3.87Å; E541-R544 PolarHBondContact OE2-NH1 2.93Å; M542-R544 VanDerWaalsContact C-N 3.28Å; M542-R544 PolarHBondContact O-N 3.34Å; R544-S548 WeakPolarHBondContact O-CB 3.33Å; R544-S548 PolarHBondContact O-N 3.45Å; R544-F594 HydrophobicContact CB-CE1 3.87Å; R544-F594 HydrophobicContact CB-CZ 4.27Å; R544-F594 VanDerWaalsContact NH2-CZ 3.28Å |
| 545 | T | 88.6 | Confident | 90.2 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | E541 M542 L543 S548 Y549 T849 | E541-T545 WeakPolarHBondContact O-CB 3.33Å; E541-T545 PolarHBondContact O-N 3.44Å; E541-T545 PolarHBondContact O-OG1 3.26Å; M542-T545 WeakPolarHBondContact O-CB 3.49Å; M542-T545 PolarHBondContact O-N 2.93Å; L543-T545 VanDerWaalsContact C-N 3.35Å; L543-T545 PolarHBondContact O-N 3.05Å; T545-S548 WeakPolarHBondContact O-CB 3.48Å; T545-S548 PolarHBondContact O-N 2.84Å; T545-Y549 WeakPolarHBondContact O-CB 3.43Å; T545-Y549 PolarHBondContact O-N 3.35Å; T545-T849 HydrophobicContact CG2-CG2 3.92Å |
| 546 | D | 90.3 | Very high | 90.1 | Very high | 25 Ų | 25 | 31 Ų | 31 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | -179 | -81.5 | 10.8 | 0 | 0 | 0 | 112.4 | V504 F524 M542 L543 S548 Y549 L550 | V504-D546 HydrophobicContact CG2-CB 3.8Å; F524-D546 VanDerWaalsContact CD1-OD2 3.32Å; F524-D546 WeakPolarHBondContact CD1-OD2 3.32Å; F524-D546 HydrophobicContact CE1-CB 4.47Å; F524-D546 VanDerWaalsContact CE1-OD2 3.27Å; F524-D546 WeakPolarHBondContact CE1-OD2 3.24Å; M542-D546 PolarHBondContact O-N 2.93Å; L543-D546 PolarHBondContact O-N 2.79Å; D546-S548 VanDerWaalsContact C-N 3.33Å; D546-S548 PolarHBondContact O-N 2.8Å; D546-Y549 PolarHBondContact O-N 2.92Å; D546-L550 WeakPolarHBondContact O-CB 3.41Å; D546-L550 VanDerWaalsContact O-CG 3.3Å; D546-L550 WeakPolarHBondContact O-CG 3.22Å; D546-L550 PolarHBondContact O-N 3.06Å |
| 547 | L | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 173.9 | -71.6 | 169.6 | 0 | 0 | 0 | 112.2 | V440 V442 L543 C551 I562 M589 F594 A597 I599 | V440-L547 HydrophobicContact CB-CD2 3.94Å; V440-L547 HydrophobicContact CG1-CD2 3.46Å; V440-L547 VanDerWaalsContact CG1-CD2 3.46Å; V440-L547 HydrophobicContact CG2-CD2 4.45Å; V442-L547 HydrophobicContact CG2-CD2 3.91Å; L543-L547 HydrophobicContact CD1-CD1 3.96Å; L543-L547 HydrophobicContact CD1-CG 4.1Å; L543-L547 HydrophobicContact CG-CD1 3.84Å; L543-L547 HydrophobicContact CG-CG 4.4Å; L543-L547 WeakPolarHBondContact O-CB 3.45Å; L543-L547 WeakPolarHBondContact O-CG 3.47Å; L543-L547 PolarHBondContact O-N 2.94Å; L547-C551 WeakPolarHBondContact O-CB 3.44Å; L547-C551 PolarHBondContact O-N 2.92Å; L547-I562 HydrophobicContact CD2-CD1 3.54Å; L547-I562 HydrophobicContact CG-CD1 4.18Å; L547-M589 HydrophobicContact CD1-SD 4.06Å; L547-F594 HydrophobicContact CD1-CD1 3.68Å; L547-F594 HydrophobicContact CD1-CE1 4.36Å; L547-A597 HydrophobicContact CB-CB 4.28Å; L547-A597 WeakPolarHBondContact O-CB 3.29Å; L547-I599 HydrophobicContact CB-CD1 4.4Å; L547-I599 HydrophobicContact CD1-CD1 4Å; L547-I599 HydrophobicContact CD2-CD1 3.77Å; L547-I599 HydrophobicContact CG-CD1 4.28Å |
| 548 | S | 90.1 | Very high | 90.1 | Very high | 43 Ų | 43 | 33.8 Ų | 33.8 | 30% | 0.301 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 175.2 | -154.3 | 0 | 0 | 0 | 0 | 112 | R544 T545 D546 C551 S552 G595 | R544-S548 WeakPolarHBondContact O-CB 3.33Å; R544-S548 PolarHBondContact O-N 3.45Å; T545-S548 WeakPolarHBondContact O-CB 3.48Å; T545-S548 PolarHBondContact O-N 2.84Å; D546-S548 VanDerWaalsContact C-N 3.33Å; D546-S548 PolarHBondContact O-N 2.8Å; S548-C551 PolarHBondContact O-N 3.12Å; S548-S552 WeakPolarHBondContact O-CB 3.5Å; S548-S552 PolarHBondContact O-N 2.98Å; S548-S552 VanDerWaalsContact O-N 3.1Å; S548-S552 PolarHBondContact O-OG 3.37Å; S548-G595 WeakPolarHBondContact CB-O 3.38Å; S548-G595 PolarHBondContact OG-O 2.86Å |
| 549 | Y | 88.6 | Confident | 90.3 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 13% | 0.125 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.5 | -46.7 | 177.4 | -173 | -93 | 0 | 0 | 0 | 111.4 | Q236 V504 L505 T545 D546 C551 S552 R553 | Q236-Y549 WeakPolarHBondContact CB-OH 3.39Å; V504-Y549 HydrophobicContact CG1-CD1 3.43Å; V504-Y549 VanDerWaalsContact CG1-CD1 3.43Å; V504-Y549 HydrophobicContact CG1-CE1 3.84Å; V504-Y549 HydrophobicContact CG1-CG 4.42Å; L505-Y549 HydrophobicContact CD1-CE1 3.89Å; L505-Y549 HydrophobicContact CD2-CE1 4.31Å; L505-Y549 HydrophobicContact CG-CE1 3.98Å; T545-Y549 WeakPolarHBondContact O-CB 3.43Å; T545-Y549 PolarHBondContact O-N 3.35Å; D546-Y549 PolarHBondContact O-N 2.92Å; Y549-C551 PolarHBondContact O-N 2.93Å; Y549-S552 PolarHBondContact O-N 2.54Å; Y549-S552 PolarHBondContact O-OG 2.73Å; Y549-S552 VanDerWaalsContact O-OG 3.13Å; Y549-R553 HydrophobicContact CD1-CB 4.33Å; Y549-R553 HydrophobicContact CD1-CG 4.3Å; Y549-R553 HydrophobicContact CD2-CG 3.94Å; Y549-R553 HydrophobicContact CE1-CB 4.13Å; Y549-R553 HydrophobicContact CE1-CG 4.15Å; Y549-R553 HydrophobicContact CE2-CG 3.77Å; Y549-R553 HydrophobicContact CG-CG 4.21Å; Y549-R553 VanDerWaalsContact O-CB 3.23Å; Y549-R553 WeakPolarHBondContact O-CB 3.49Å; Y549-R553 WeakPolarHBondContact O-CG 3.4Å; Y549-R553 PolarHBondContact O-N 3.33Å |
| 550 | L | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.1 | -51.3 | 173 | -70.3 | 169.8 | 0 | 0 | 0 | 111.3 | V440 V504 L505 S508 D546 S552 R553 W554 P560 I562 | V440-L550 HydrophobicContact CG1-CD1 3.87Å; V440-L550 HydrophobicContact CG2-CB 4.04Å; V504-L550 HydrophobicContact CG1-CD2 4.38Å; V504-L550 HydrophobicContact CG2-CD1 3.97Å; V504-L550 HydrophobicContact CG2-CD2 4.07Å; V504-L550 HydrophobicContact CG2-CG 3.94Å; L505-L550 HydrophobicContact CD2-CD2 3.91Å; S508-L550 WeakPolarHBondContact OG-CD1 3.08Å; D546-L550 WeakPolarHBondContact O-CB 3.41Å; D546-L550 VanDerWaalsContact O-CG 3.3Å; D546-L550 WeakPolarHBondContact O-CG 3.22Å; D546-L550 PolarHBondContact O-N 3.06Å; L550-S552 PolarHBondContact O-N 3.2Å; L550-S552 VanDerWaalsContact O-N 3.15Å; L550-R553 PolarHBondContact O-N 3.44Å; L550-W554 HydrophobicContact CD2-CE3 3.68Å; L550-W554 HydrophobicContact CD2-CZ3 3.82Å; L550-W554 WeakPolarHBondContact O-CB 3.4Å; L550-W554 PolarHBondContact O-N 3.15Å; L550-P560 HydrophobicContact CB-CB 4.44Å; L550-P560 HydrophobicContact CB-CG 4.37Å; L550-P560 HydrophobicContact CD1-CB 4.29Å; L550-P560 HydrophobicContact CD2-CB 4.06Å; L550-I562 HydrophobicContact CD1-CD1 3.65Å; L550-I562 HydrophobicContact CD1-CG1 3.85Å |
| 551 | C | 91.1 | Very high | 90.8 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -31.8 | -179.1 | -170.7 | 0 | 0 | 0 | 0 | 113.3 | V440 L547 S548 Y549 A597 | V440-C551 HydrophobicContact CG2-CB 4.33Å; L547-C551 WeakPolarHBondContact O-CB 3.44Å; L547-C551 PolarHBondContact O-N 2.92Å; S548-C551 PolarHBondContact O-N 3.12Å; Y549-C551 PolarHBondContact O-N 2.93Å; C551-A597 HydrophobicContact CB-CB 3.56Å |
| 552 | S | 85.7 | Confident | 91.1 | Very high | 57 Ų | 57 | 34 Ų | 34 | 40% | 0.399 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -92.7 | -29.3 | -178.8 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | S548 Y549 L550 R555 | S548-S552 WeakPolarHBondContact O-CB 3.5Å; S548-S552 PolarHBondContact O-N 2.98Å; S548-S552 VanDerWaalsContact O-N 3.1Å; S548-S552 PolarHBondContact O-OG 3.37Å; Y549-S552 PolarHBondContact O-N 2.54Å; Y549-S552 PolarHBondContact O-OG 2.73Å; Y549-S552 VanDerWaalsContact O-OG 3.13Å; L550-S552 PolarHBondContact O-N 3.2Å; L550-S552 VanDerWaalsContact O-N 3.15Å; S552-R555 PolarHBondContact O-NH1 3.33Å; S552-R555 PolarHBondContact O-NH2 3.3Å |
| 553 | R | 87.4 | Confident | 91.4 | Very high | 56 Ų | 56 | 33.1 Ų | 33.1 | 21% | 0.211 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -113.1 | -7.5 | -172.1 | -55.8 | -57 | -177.7 | -175.8 | -2.4 | 115.2 | Q236 Y549 L550 R555 | Q236-R553 HydrophobicContact CG-CB 4.25Å; Q236-R553 PolarHBondContact NE2-O 3.44Å; Q236-R553 VanDerWaalsContact NE2-O 3.11Å; Y549-R553 HydrophobicContact CD1-CB 4.33Å; Y549-R553 HydrophobicContact CD1-CG 4.3Å; Y549-R553 HydrophobicContact CD2-CG 3.94Å; Y549-R553 HydrophobicContact CE1-CB 4.13Å; Y549-R553 HydrophobicContact CE1-CG 4.15Å; Y549-R553 HydrophobicContact CE2-CG 3.77Å; Y549-R553 HydrophobicContact CG-CG 4.21Å; Y549-R553 VanDerWaalsContact O-CB 3.23Å; Y549-R553 WeakPolarHBondContact O-CB 3.49Å; Y549-R553 WeakPolarHBondContact O-CG 3.4Å; Y549-R553 PolarHBondContact O-N 3.33Å; L550-R553 PolarHBondContact O-N 3.44Å; R553-R555 WeakPolarHBondContact O-CG 3.41Å; R553-R555 PolarHBondContact O-N 2.71Å |
| 554 | W | 91.2 | Very high | 91.6 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 3% | 0.034 | 18% | 0.178 | C | C | . | . | trans | -66.3 | 130.2 | 174.7 | -162.5 | -101.1 | 0 | 0 | 0 | 110.9 | V438 L505 S508 K509 L550 M556 G558 P560 C612 | V438-W554 HydrophobicContact CG1-CB 4.02Å; V438-W554 HydrophobicContact CG1-CG 4.43Å; V438-W554 HydrophobicContact CG2-CB 4.03Å; L505-W554 HydrophobicContact CB-CZ3 4.42Å; L505-W554 HydrophobicContact CD2-CE3 3.63Å; L505-W554 HydrophobicContact CD2-CZ3 4.09Å; L505-W554 WeakPolarHBondContact O-CZ3 3.45Å; S508-W554 WeakPolarHBondContact O-CH2 3.27Å; K509-W554 HydrophobicContact CG-CH2 3.82Å; L550-W554 HydrophobicContact CD2-CE3 3.68Å; L550-W554 HydrophobicContact CD2-CZ3 3.82Å; L550-W554 WeakPolarHBondContact O-CB 3.4Å; L550-W554 PolarHBondContact O-N 3.15Å; W554-M556 HydrophobicContact CZ2-CB 4.33Å; W554-G558 PolarHBondContact NE1-O 3.2Å; W554-P560 HydrophobicContact CB-CG 4.39Å; W554-P560 HydrophobicContact CD2-CB 3.7Å; W554-P560 HydrophobicContact CD2-CG 3.91Å; W554-P560 HydrophobicContact CE3-CB 3.66Å; W554-P560 HydrophobicContact CE3-CG 4.25Å; W554-P560 HydrophobicContact CG-CB 4.31Å; W554-P560 HydrophobicContact CG-CG 3.99Å; W554-P560 HydrophobicContact CH2-CB 3.88Å; W554-P560 HydrophobicContact CZ2-CB 3.92Å; W554-P560 HydrophobicContact CZ3-CB 3.76Å; W554-C612 HydrophobicContact CH2-CB 4.34Å; W554-C612 HydrophobicContact CZ2-CB 3.52Å | ||
| 555 | R | 84.4 | Confident | 91.7 | Very high | 77 Ų | 77 | 30.1 Ų | 30.1 | 29% | 0.291 | 17% | 0.169 | S | C | . | . | trans | -135.1 | -4.8 | -174.8 | -67.5 | -59.6 | 178.2 | -92 | -2.9 | 114.1 | E271 K435 S552 R553 | E271-R555 IonicContact OE1-NE 3.92Å; E271-R555 PolarHBondContact OE1-NE 3.26Å; E271-R555 IonicContact OE2-CZ 2.65Å; E271-R555 VanDerWaalsContact OE2-CZ 3.26Å; E271-R555 IonicContact OE2-NE 2.92Å; E271-R555 PolarHBondContact OE2-NE 3.21Å; E271-R555 IonicContact OE2-NH2 3.9Å; E271-R555 PolarHBondContact OE2-NH2 2.96Å; K435-R555 PolarHBondContact NZ-O 2.88Å; S552-R555 PolarHBondContact O-NH1 3.33Å; S552-R555 PolarHBondContact O-NH2 3.3Å; R553-R555 WeakPolarHBondContact O-CG 3.41Å; R553-R555 PolarHBondContact O-N 2.71Å | ||
| 556 | M | 88.6 | Confident | 92 | Very high | 50 Ų | 50 | 29.8 Ų | 29.8 | 25% | 0.246 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -86.2 | 164.2 | -174.3 | -62 | -173.7 | 70.5 | 0 | 0 | 112.2 | A232 K509 W554 | A232-M556 HydrophobicContact CB-SD 4.12Å; K509-M556 HydrophobicContact CD-SD 4.49Å; K509-M556 WeakPolarHBondContact CE-SD 3.47Å; K509-M556 PolarHBondContact NZ-SD 3.47Å; W554-M556 HydrophobicContact CZ2-CB 4.33Å |
| 557 | T | 89 | Confident | 92 | Very high | 135 Ų | 135 | 29.3 Ų | 29.3 | 83% | 0.828 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -73.1 | 133.9 | 174.6 | -56 | 0 | 0 | 0 | 0 | 110.7 | C612 | T557-C612 WeakPolarHBondContact O-CA 3.48Å; T557-C612 VanDerWaalsContact O-CB 3.3Å; T557-C612 WeakPolarHBondContact O-CB 3.46Å; T557-C612 PolarHBondContact O-SG 3.47Å |
| 558 | G | 92.9 | Very high | 91.7 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 86 | 159 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W554 T610 | W554-G558 PolarHBondContact NE1-O 3.2Å; G558-T610 CarbonylContact C-O 3.6Å; G558-T610 WeakPolarHBondContact CA-O 3.33Å |
| 559 | Q | 94.9 | Very high | 91.5 | Very high | 55 Ų | 55 | 35.2 Ų | 35.2 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | B | Isolated β-bridge | trans | -79 | 147.9 | -178.5 | -63 | -64.4 | -4.2 | 0 | 0 | 111.5 | V439 Q441 T610 S611 C612 | V439-Q559 PolarHBondContact O-OE1 2.9Å; V439-Q559 VanDerWaalsContact O-OE1 3.07Å; Q441-Q559 HydrophobicContact CG-CB 3.96Å; Q559-T610 PolarHBondContact N-O 3.36Å; Q559-S611 WeakPolarHBondContact O-CA 3.39Å; Q559-C612 PolarHBondContact O-N 3.34Å |
| 560 | P | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -65.7 | 134.7 | 169.4 | 23.1 | -25.4 | 0 | 0 | 0 | 110 | V438 V440 Q441 L550 W554 | V438-P560 HydrophobicContact CG1-CG 3.62Å; V440-P560 HydrophobicContact CB-CG 4.32Å; V440-P560 HydrophobicContact CG1-CB 4.32Å; V440-P560 HydrophobicContact CG1-CG 4.11Å; V440-P560 HydrophobicContact CG2-CG 4.05Å; Q441-P560 PolarHBondContact N-O 3.45Å; L550-P560 HydrophobicContact CB-CB 4.44Å; L550-P560 HydrophobicContact CB-CG 4.37Å; L550-P560 HydrophobicContact CD1-CB 4.29Å; L550-P560 HydrophobicContact CD2-CB 4.06Å; W554-P560 HydrophobicContact CB-CG 4.39Å; W554-P560 HydrophobicContact CD2-CB 3.7Å; W554-P560 HydrophobicContact CD2-CG 3.91Å; W554-P560 HydrophobicContact CE3-CB 3.66Å; W554-P560 HydrophobicContact CE3-CG 4.25Å; W554-P560 HydrophobicContact CG-CB 4.31Å; W554-P560 HydrophobicContact CG-CG 3.99Å; W554-P560 HydrophobicContact CH2-CB 3.88Å; W554-P560 HydrophobicContact CZ2-CB 3.92Å; W554-P560 HydrophobicContact CZ3-CB 3.76Å | ||
| 561 | T | 97.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 110.4 | -177.5 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | Q441 S508 L604 F607 S611 | Q441-T561 HydrophobicContact CB-CG2 4.31Å; Q441-T561 CarbonylContact O-C 3.56Å; Q441-T561 WeakPolarHBondContact O-CA 3.38Å; Q441-T561 PolarHBondContact OE1-OG1 2.98Å; S508-T561 CarbonylContact C-O 3.59Å; S508-T561 VanDerWaalsContact C-O 3.27Å; S508-T561 VanDerWaalsContact CA-O 3.28Å; S508-T561 WeakPolarHBondContact CA-O 3.48Å; S508-T561 PolarHBondContact O-N 2.63Å; T561-L604 HydrophobicContact CG2-CD2 4.14Å; T561-F607 HydrophobicContact CG2-CB 4.42Å; T561-F607 HydrophobicContact CG2-CD2 4.16Å; T561-S611 VanDerWaalsContact OG1-CB 3.28Å; T561-S611 WeakPolarHBondContact OG1-CB 3.46Å; T561-S611 PolarHBondContact OG1-OG 3.01Å |
| 562 | I | 97 | Very high | 91.3 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.5 | 174 | -62 | -171.6 | 0 | 0 | 0 | 110 | V440 Q441 V442 S443 P522 L543 L547 L550 F564 | V440-I562 HydrophobicContact CG1-CD1 4.46Å; V440-I562 HydrophobicContact CG1-CG1 4.35Å; Q441-I562 PolarHBondContact O-N 3.32Å; V442-I562 WeakPolarHBondContact CA-O 3.43Å; S443-I562 PolarHBondContact N-O 2.84Å; P522-I562 HydrophobicContact CG-CG2 3.68Å; L543-I562 HydrophobicContact CD1-CD1 4.23Å; L547-I562 HydrophobicContact CD2-CD1 3.54Å; L547-I562 HydrophobicContact CG-CD1 4.18Å; L550-I562 HydrophobicContact CD1-CD1 3.65Å; L550-I562 HydrophobicContact CD1-CG1 3.85Å; I562-F564 HydrophobicContact CG2-CB 4.21Å |
| 563 | T | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 107.4 | 165.9 | -62.1 | 0 | 0 | 0 | 0 | 109.6 | L445 V473 T519 P522 P565 L604 | L445-T563 HydrophobicContact CD1-CG2 3.55Å; L445-T563 HydrophobicContact CG-CG2 4.2Å; V473-T563 HydrophobicContact CG1-CG2 3.83Å; V473-T563 HydrophobicContact CG2-CG2 4.18Å; T519-T563 HydrophobicContact CG2-CG2 4.09Å; T519-T563 WeakPolarHBondContact CG2-OG1 3.27Å; T519-T563 PolarHBondContact OG1-OG1 2.65Å; P522-T563 WeakPolarHBondContact CD-O 3.5Å; T563-P565 WeakPolarHBondContact O-CD 3.3Å; T563-L604 HydrophobicContact CG2-CD1 4.05Å |
| 564 | F | 95.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 97.7 | -173 | -170.7 | -101.8 | 0 | 0 | 0 | 111 | V442 S443 I444 L445 F524 I525 I539 L543 I562 I566 M570 L586 | V442-F564 HydrophobicContact CG1-CB 4.36Å; S443-F564 PolarHBondContact O-N 3.05Å; I444-F564 WeakPolarHBondContact CA-O 3.3Å; L445-F564 PolarHBondContact N-O 2.94Å; F524-F564 HydrophobicContact CE2-CE2 4.11Å; F524-F564 HydrophobicContact CZ-CE2 4.16Å; I525-F564 HydrophobicContact CD1-CD2 3.49Å; I525-F564 VanDerWaalsContact CD1-CD2 3.49Å; I525-F564 HydrophobicContact CD1-CE2 3.5Å; I525-F564 VanDerWaalsContact CD1-CE2 3.5Å; I525-F564 HydrophobicContact CD1-CG 4.49Å; I525-F564 HydrophobicContact CG1-CE2 4.35Å; I539-F564 HydrophobicContact CG2-CE2 4.28Å; I539-F564 HydrophobicContact CG2-CZ 3.91Å; L543-F564 HydrophobicContact CD1-CD2 4.06Å; L543-F564 HydrophobicContact CD1-CE2 4.27Å; L543-F564 HydrophobicContact CD2-CD2 4.14Å; L543-F564 HydrophobicContact CD2-CE1 4.35Å; L543-F564 HydrophobicContact CD2-CE2 3.86Å; L543-F564 HydrophobicContact CD2-CZ 3.98Å; L543-F564 HydrophobicContact CG-CE2 4.44Å; I562-F564 HydrophobicContact CG2-CB 4.21Å; F564-I566 HydrophobicContact CD1-CD1 3.78Å; F564-I566 HydrophobicContact CE1-CD1 3.49Å; F564-I566 VanDerWaalsContact CE1-CD1 3.49Å; F564-M570 HydrophobicContact CE1-SD 4.36Å; F564-M570 HydrophobicContact CZ-CE 4.26Å; F564-M570 HydrophobicContact CZ-SD 4.32Å; F564-L586 HydrophobicContact CE1-CD2 4.42Å |
| 565 | P | 94.8 | Very high | 89.7 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137.9 | 176.8 | 32 | -35 | 0 | 0 | 0 | 111.6 | L445 I465 T521 I525 T563 M570 | L445-P565 CarbonylContact O-C 3.54Å; L445-P565 WeakPolarHBondContact O-CA 3.22Å; I465-P565 HydrophobicContact CD1-CB 4.43Å; T521-P565 HydrophobicContact CG2-CG 3.92Å; I525-P565 HydrophobicContact CG2-CG 4.34Å; T563-P565 WeakPolarHBondContact O-CD 3.3Å; P565-M570 WeakPolarHBondContact O-CE 3.36Å |
| 566 | I | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118.8 | 167.9 | -54.1 | -58 | 0 | 0 | 0 | 108 | I444 L445 E447 I451 L455 F564 M570 L578 I582 L586 | I444-I566 HydrophobicContact CG2-CD1 4.13Å; I444-I566 HydrophobicContact CG2-CG1 3.71Å; L445-I566 PolarHBondContact O-N 3.26Å; E447-I566 WeakPolarHBondContact CB-O 3.39Å; E447-I566 PolarHBondContact N-O 3.35Å; I451-I566 HydrophobicContact CG2-CB 4.01Å; I451-I566 HydrophobicContact CG2-CG2 3.66Å; L455-I566 HydrophobicContact CD1-CB 4.09Å; L455-I566 HydrophobicContact CD1-CG1 3.94Å; L455-I566 HydrophobicContact CD1-CG2 4.29Å; L455-I566 HydrophobicContact CD2-CG1 4.48Å; F564-I566 HydrophobicContact CD1-CD1 3.78Å; F564-I566 HydrophobicContact CE1-CD1 3.49Å; F564-I566 VanDerWaalsContact CE1-CD1 3.49Å; I566-M570 HydrophobicContact CD1-SD 3.93Å; I566-M570 HydrophobicContact CG2-CB 4.22Å; I566-M570 HydrophobicContact CG2-SD 4.44Å; I566-L578 HydrophobicContact CG2-CD1 3.83Å; I566-I582 HydrophobicContact CD1-CG2 4.28Å; I566-L586 HydrophobicContact CD1-CD1 4.17Å; I566-L586 HydrophobicContact CD1-CD2 4.26Å |
| 567 | S | 90.8 | Very high | 89.6 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 11% | 0.105 | 25% | 0.25 | C | C | . | . | trans | -107.6 | 169.2 | 179 | 62 | 0 | 0 | 0 | 0 | 112.4 | E447 T569 M570 | E447-S567 WeakPolarHBondContact OE2-CA 3.46Å; E447-S567 WeakPolarHBondContact OE2-CB 3.35Å; S567-T569 PolarHBondContact O-N 2.96Å; S567-T569 VanDerWaalsContact O-N 3.17Å; S567-T569 PolarHBondContact OG-OG1 3.37Å; S567-T569 VanDerWaalsContact OG-OG1 3.14Å; S567-M570 WeakPolarHBondContact O-CB 3.3Å; S567-M570 PolarHBondContact O-N 3.3Å | ||
| 568 | H | 87.6 | Confident | 89.7 | Confident | 124 Ų | 124 | 36.4 Ų | 36.4 | 57% | 0.574 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -57.3 | -31 | -178.9 | -166.3 | -82.5 | 0 | 0 | 0 | 113.7 | M570 L571 | H568-M570 PolarHBondContact O-N 2.78Å; H568-L571 WeakPolarHBondContact O-CB 3.46Å; H568-L571 VanDerWaalsContact O-CG 3.32Å; H568-L571 WeakPolarHBondContact O-CG 3.46Å; H568-L571 PolarHBondContact O-N 3.34Å |
| 569 | T | 85.5 | Confident | 89.7 | Confident | 43 Ų | 43 | 36.4 Ų | 36.4 | 26% | 0.264 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -68.1 | -15.8 | 178.5 | 60.6 | 0 | 0 | 0 | 0 | 113.7 | Q527 N536 S567 L571 | Q527-T569 PolarHBondContact NE2-OG1 2.97Å; N536-T569 PolarHBondContact ND2-O 3.39Å; N536-T569 PolarHBondContact OD1-O 3.05Å; S567-T569 PolarHBondContact O-N 2.96Å; S567-T569 VanDerWaalsContact O-N 3.17Å; S567-T569 PolarHBondContact OG-OG1 3.37Å; S567-T569 VanDerWaalsContact OG-OG1 3.14Å; T569-L571 VanDerWaalsContact C-N 3.3Å |
| 570 | M | 91.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -86.7 | 2.8 | 177.5 | -57.2 | -168.5 | -166.7 | 0 | 0 | 113.4 | I525 N536 I539 F564 P565 I566 S567 H568 N579 I582 | I525-M570 HydrophobicContact CG2-CE 4.35Å; N536-M570 WeakPolarHBondContact OD1-CA 3.41Å; I539-M570 HydrophobicContact CD1-CE 4.2Å; I539-M570 HydrophobicContact CD1-CG 4.47Å; I539-M570 HydrophobicContact CG2-CE 4.44Å; F564-M570 HydrophobicContact CE1-SD 4.36Å; F564-M570 HydrophobicContact CZ-CE 4.26Å; F564-M570 HydrophobicContact CZ-SD 4.32Å; P565-M570 WeakPolarHBondContact O-CE 3.36Å; I566-M570 HydrophobicContact CD1-SD 3.93Å; I566-M570 HydrophobicContact CG2-CB 4.22Å; I566-M570 HydrophobicContact CG2-SD 4.44Å; S567-M570 WeakPolarHBondContact O-CB 3.3Å; S567-M570 PolarHBondContact O-N 3.3Å; H568-M570 PolarHBondContact O-N 2.78Å; M570-N579 WeakPolarHBondContact O-CB 3.47Å; M570-N579 PolarHBondContact O-N 3.43Å; M570-I582 HydrophobicContact CB-CD1 4.42Å; M570-I582 HydrophobicContact CB-CG1 4.19Å; M570-I582 HydrophobicContact CG-CD1 4.34Å; M570-I582 HydrophobicContact SD-CD1 4.17Å |
| 571 | L | 89.8 | Confident | 89.3 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -83 | 176.6 | 173.1 | -53.9 | -177.4 | 0 | 0 | 0 | 111.6 | I454 H568 T569 S577 L578 | I454-L571 HydrophobicContact CD1-CD1 4.06Å; I454-L571 HydrophobicContact CD1-CD2 4.15Å; I454-L571 HydrophobicContact CG2-CD2 4.46Å; H568-L571 WeakPolarHBondContact O-CB 3.46Å; H568-L571 VanDerWaalsContact O-CG 3.32Å; H568-L571 WeakPolarHBondContact O-CG 3.46Å; H568-L571 PolarHBondContact O-N 3.34Å; T569-L571 VanDerWaalsContact C-N 3.3Å; L571-S577 CarbonylContact C-O 3.6Å; L571-S577 WeakPolarHBondContact CA-O 3.41Å; L571-S577 WeakPolarHBondContact CB-O 3.5Å; L571-L578 HydrophobicContact CD2-CD1 3.96Å |
| 572 | D | 85.3 | Confident | 89.2 | Confident | 52 Ų | 52 | 39.9 Ų | 39.9 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | trans | -76.5 | 177.6 | 168.9 | 54 | 17.8 | 0 | 0 | 0 | 112.7 | D574 G575 A576 S577 | D572-D574 PolarHBondContact O-N 3.04Å; D572-G575 PolarHBondContact O-N 2.59Å; D572-G575 VanDerWaalsContact O-N 3.09Å; D572-G575 PolarHBondContact OD1-N 2.92Å; D572-A576 PolarHBondContact OD1-N 3.27Å; D572-S577 PolarHBondContact N-O 3.47Å; D572-S577 PolarHBondContact OD1-N 3.46Å; D572-S577 VanDerWaalsContact OD1-O 3.11Å; D572-S577 VanDerWaalsContact OD2-CB 3.24Å; D572-S577 WeakPolarHBondContact OD2-CB 3.32Å; D572-S577 PolarHBondContact OD2-N 3.19Å | ||
| 573 | E | 75.3 | Confident | 89.1 | Confident | 143 Ų | 143 | 41 Ų | 41 | 67% | 0.668 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.6 | -175 | -67.8 | 166.6 | -165.7 | 0 | 0 | 111.8 | R916 | E573-R916 IonicContact OE1-NH1 2.79Å; E573-R916 PolarHBondContact OE1-NH1 3.32Å; E573-R916 VanDerWaalsContact OE1-NH1 3.08Å; E573-R916 IonicContact OE2-NH1 2.77Å |
| 574 | D | 77.3 | Confident | 89.1 | Confident | 148 Ų | 148 | 43.3 Ų | 43.3 | 79% | 0.791 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -6.8 | 176.3 | -60.4 | -43.8 | 0 | 0 | 0 | 113.9 | D572 A576 | D572-D574 PolarHBondContact O-N 3.04Å; D574-A576 HydrophobicContact CB-CB 4.17Å; D574-A576 PolarHBondContact O-N 3.44Å; D574-A576 VanDerWaalsContact O-N 3.13Å |
| 575 | G | 79.5 | Confident | 89 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 22% | 0.216 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 64.6 | 9.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D572 | D572-G575 PolarHBondContact O-N 2.59Å; D572-G575 VanDerWaalsContact O-N 3.09Å; D572-G575 PolarHBondContact OD1-N 2.92Å |
| 576 | A | 81.9 | Confident | 89.1 | Confident | 73 Ų | 73 | 42.6 Ų | 42.6 | 60% | 0.603 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -92.9 | -21 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D572 D574 | D572-A576 PolarHBondContact OD1-N 3.27Å; D574-A576 HydrophobicContact CB-CB 4.17Å; D574-A576 PolarHBondContact O-N 3.44Å; D574-A576 VanDerWaalsContact O-N 3.13Å |
| 577 | S | 88.4 | Confident | 89.1 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -145.9 | 166.9 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | K458 L571 D572 | K458-S577 WeakPolarHBondContact CE-OG 3.42Å; L571-S577 CarbonylContact C-O 3.6Å; L571-S577 WeakPolarHBondContact CA-O 3.41Å; L571-S577 WeakPolarHBondContact CB-O 3.5Å; D572-S577 PolarHBondContact N-O 3.47Å; D572-S577 PolarHBondContact OD1-N 3.46Å; D572-S577 VanDerWaalsContact OD1-O 3.11Å; D572-S577 VanDerWaalsContact OD2-CB 3.24Å; D572-S577 WeakPolarHBondContact OD2-CB 3.32Å; D572-S577 PolarHBondContact OD2-N 3.19Å |
| 578 | L | 90.2 | Very high | 89.2 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 141.8 | 177.6 | -148.7 | 80.6 | 0 | 0 | 0 | 110.9 | L455 I566 L571 S580 I582 L583 L586 | L455-L578 HydrophobicContact CD2-CD1 3.78Å; L455-L578 HydrophobicContact CD2-CD2 3.87Å; L455-L578 HydrophobicContact CD2-CG 4.48Å; L455-L578 HydrophobicContact CG-CD1 4.35Å; I566-L578 HydrophobicContact CG2-CD1 3.83Å; L571-L578 HydrophobicContact CD2-CD1 3.96Å; L578-S580 PolarHBondContact O-N 2.84Å; L578-I582 HydrophobicContact CD2-CB 4.26Å; L578-I582 HydrophobicContact CD2-CG2 3.79Å; L578-I582 HydrophobicContact CG-CB 4.44Å; L578-I582 HydrophobicContact CG-CG2 4.19Å; L578-L583 HydrophobicContact CB-CB 4.47Å; L578-L583 HydrophobicContact CD2-CB 3.97Å; L578-L583 HydrophobicContact CD2-CD1 4.19Å; L578-L586 HydrophobicContact CD2-CD1 3.74Å |
| 579 | N | 93 | Very high | 89.6 | Confident | 30 Ų | 30 | 46.9 Ų | 46.9 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | trans | -56.8 | 138.5 | 173.5 | -171.7 | -76.4 | 0 | 0 | 0 | 111.3 | N536 M570 S581 I582 L583 | N536-N579 HydrophobicContact CB-CB 4.41Å; N536-N579 PolarHBondContact ND2-ND2 2.68Å; M570-N579 WeakPolarHBondContact O-CB 3.47Å; M570-N579 PolarHBondContact O-N 3.43Å; N579-S581 VanDerWaalsContact C-N 3.3Å; N579-S581 PolarHBondContact O-N 2.98Å; N579-S581 PolarHBondContact OD1-N 3Å; N579-S581 VanDerWaalsContact OD1-N 3.08Å; N579-S581 PolarHBondContact OD1-OG 3.44Å; N579-I582 HydrophobicContact CB-CB 4.38Å; N579-I582 HydrophobicContact CB-CG1 3.97Å; N579-I582 PolarHBondContact O-N 2.87Å; N579-L583 PolarHBondContact O-N 2.83Å | ||
| 580 | S | 92.2 | Very high | 89.9 | Confident | 98 Ų | 98 | 48.7 Ų | 48.7 | 69% | 0.685 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.2 | -32.3 | -173.3 | 62 | 0 | 0 | 0 | 0 | 114 | L578 A584 | L578-S580 PolarHBondContact O-N 2.84Å; S580-A584 VanDerWaalsContact O-CB 3.29Å; S580-A584 WeakPolarHBondContact O-CB 3.3Å; S580-A584 PolarHBondContact O-N 3.2Å |
| 581 | S | 92.9 | Very high | 90 | Very high | 29 Ų | 29 | 55 Ų | 55 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.7 | -41.3 | 177.5 | 72.4 | 0 | 0 | 0 | 0 | 111.6 | N536 N579 A585 | N536-S581 PolarHBondContact O-OG 3.07Å; N579-S581 VanDerWaalsContact C-N 3.3Å; N579-S581 PolarHBondContact O-N 2.98Å; N579-S581 PolarHBondContact OD1-N 3Å; N579-S581 VanDerWaalsContact OD1-N 3.08Å; N579-S581 PolarHBondContact OD1-OG 3.44Å; S581-A585 PolarHBondContact O-N 3.5Å |
| 582 | I | 94.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.6 | -50.8 | 174.9 | -55.4 | -73 | 0 | 0 | 0 | 109.1 | N536 I539 V540 I566 M570 L578 N579 A584 A585 L586 | N536-I582 HydrophobicContact CB-CD1 4.07Å; N536-I582 HydrophobicContact CB-CG1 3.98Å; I539-I582 HydrophobicContact CG2-CD1 4.19Å; V540-I582 HydrophobicContact CG2-CD1 3.85Å; I566-I582 HydrophobicContact CD1-CG2 4.28Å; M570-I582 HydrophobicContact CB-CD1 4.42Å; M570-I582 HydrophobicContact CB-CG1 4.19Å; M570-I582 HydrophobicContact CG-CD1 4.34Å; M570-I582 HydrophobicContact SD-CD1 4.17Å; L578-I582 HydrophobicContact CD2-CB 4.26Å; L578-I582 HydrophobicContact CD2-CG2 3.79Å; L578-I582 HydrophobicContact CG-CB 4.44Å; L578-I582 HydrophobicContact CG-CG2 4.19Å; N579-I582 HydrophobicContact CB-CB 4.38Å; N579-I582 HydrophobicContact CB-CG1 3.97Å; N579-I582 PolarHBondContact O-N 2.87Å; I582-A584 VanDerWaalsContact C-N 3.3Å; I582-A584 PolarHBondContact O-N 3.22Å; I582-A585 WeakPolarHBondContact O-CA 3.5Å; I582-A585 WeakPolarHBondContact O-CB 3.43Å; I582-A585 PolarHBondContact O-N 2.94Å; I582-L586 HydrophobicContact CG2-CD1 4.34Å; I582-L586 HydrophobicContact CG2-CG 4.19Å; I582-L586 WeakPolarHBondContact O-CG 3.25Å; I582-L586 PolarHBondContact O-N 3.42Å |
| 583 | L | 94.9 | Very high | 90.6 | Very high | 25 Ų | 25 | 60.2 Ų | 60.2 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.6 | -41 | -180 | -177.1 | 58.7 | 0 | 0 | 0 | 112.5 | K458 I460 L578 N579 A585 R587 | K458-L583 HydrophobicContact CB-CD1 3.86Å; K458-L583 HydrophobicContact CG-CD1 4.15Å; K458-L583 HydrophobicContact CG-CD2 4.44Å; I460-L583 HydrophobicContact CD1-CD1 3.92Å; L578-L583 HydrophobicContact CB-CB 4.47Å; L578-L583 HydrophobicContact CD2-CB 3.97Å; L578-L583 HydrophobicContact CD2-CD1 4.19Å; N579-L583 PolarHBondContact O-N 2.83Å; L583-A585 VanDerWaalsContact C-N 3.32Å; L583-A585 PolarHBondContact O-N 2.92Å; L583-R587 HydrophobicContact CD1-CG 4.46Å; L583-R587 WeakPolarHBondContact O-CG 3.36Å; L583-R587 PolarHBondContact O-N 3.19Å; L583-R587 VanDerWaalsContact O-N 3.1Å |
| 584 | A | 94.8 | Very high | 91.4 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.3 | -30.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S580 I582 K588 | S580-A584 VanDerWaalsContact O-CB 3.29Å; S580-A584 WeakPolarHBondContact O-CB 3.3Å; S580-A584 PolarHBondContact O-N 3.2Å; I582-A584 VanDerWaalsContact C-N 3.3Å; I582-A584 PolarHBondContact O-N 3.22Å; A584-K588 VanDerWaalsContact O-CG 3.3Å; A584-K588 WeakPolarHBondContact O-CG 3.27Å; A584-K588 PolarHBondContact O-N 3.27Å |
| 585 | A | 95.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.8 | -46.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | V540 S581 I582 L583 R587 K588 M589 F594 | V540-A585 HydrophobicContact CG1-CB 3.86Å; V540-A585 HydrophobicContact CG2-CB 3.87Å; S581-A585 PolarHBondContact O-N 3.5Å; I582-A585 WeakPolarHBondContact O-CA 3.5Å; I582-A585 WeakPolarHBondContact O-CB 3.43Å; I582-A585 PolarHBondContact O-N 2.94Å; L583-A585 VanDerWaalsContact C-N 3.32Å; L583-A585 PolarHBondContact O-N 2.92Å; A585-R587 PolarHBondContact O-N 3.39Å; A585-K588 PolarHBondContact O-N 2.71Å; A585-M589 WeakPolarHBondContact O-CG 3.33Å; A585-M589 PolarHBondContact O-N 3.06Å; A585-F594 HydrophobicContact CB-CE2 4.14Å; A585-F594 HydrophobicContact CB-CZ 3.88Å |
| 586 | L | 95.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 178.7 | -59.5 | -168.4 | 0 | 0 | 0 | 111.6 | I444 L455 I460 F564 I566 L578 I582 K588 M589 Q590 | I444-L586 HydrophobicContact CD1-CD2 3.96Å; I444-L586 HydrophobicContact CG1-CD2 4.37Å; I444-L586 HydrophobicContact CG2-CD1 4.49Å; I444-L586 HydrophobicContact CG2-CD2 4.49Å; L455-L586 HydrophobicContact CD2-CD1 3.68Å; I460-L586 HydrophobicContact CD1-CB 3.78Å; I460-L586 HydrophobicContact CD1-CD1 3.77Å; I460-L586 HydrophobicContact CD1-CG 4.43Å; F564-L586 HydrophobicContact CE1-CD2 4.42Å; I566-L586 HydrophobicContact CD1-CD1 4.17Å; I566-L586 HydrophobicContact CD1-CD2 4.26Å; L578-L586 HydrophobicContact CD2-CD1 3.74Å; I582-L586 HydrophobicContact CG2-CD1 4.34Å; I582-L586 HydrophobicContact CG2-CG 4.19Å; I582-L586 WeakPolarHBondContact O-CG 3.25Å; I582-L586 PolarHBondContact O-N 3.42Å; L586-K588 PolarHBondContact O-N 3.19Å; L586-M589 HydrophobicContact CD2-CE 3.48Å; L586-M589 VanDerWaalsContact CD2-CE 3.48Å; L586-M589 WeakPolarHBondContact O-CB 3.33Å; L586-M589 PolarHBondContact O-N 2.8Å; L586-M589 VanDerWaalsContact O-N 3.14Å; L586-Q590 PolarHBondContact O-N 3.43Å |
| 587 | R | 94.5 | Very high | 92.4 | Very high | 119 Ų | 119 | 45.1 Ų | 45.1 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 176.3 | -74.2 | 177.4 | 174 | 171 | -1 | 112.7 | L583 A585 M589 Q590 D591 | L583-R587 HydrophobicContact CD1-CG 4.46Å; L583-R587 WeakPolarHBondContact O-CG 3.36Å; L583-R587 PolarHBondContact O-N 3.19Å; L583-R587 VanDerWaalsContact O-N 3.1Å; A585-R587 PolarHBondContact O-N 3.39Å; R587-M589 VanDerWaalsContact C-N 3.26Å; R587-M589 PolarHBondContact O-N 2.83Å; R587-Q590 CarbonylContact O-C 3.54Å; R587-Q590 WeakPolarHBondContact O-CB 3.29Å; R587-Q590 PolarHBondContact O-N 2.62Å; R587-Q590 VanDerWaalsContact O-N 3.1Å; R587-D591 PolarHBondContact O-N 2.84Å |
| 588 | K | 94.3 | Very high | 92.7 | Very high | 110 Ų | 110 | 49.4 Ų | 49.4 | 48% | 0.478 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.3 | -29.1 | 175.5 | -74 | 176.6 | 177.6 | -177.5 | 0 | 113.4 | A584 A585 L586 Y593 F594 | A584-K588 VanDerWaalsContact O-CG 3.3Å; A584-K588 WeakPolarHBondContact O-CG 3.27Å; A584-K588 PolarHBondContact O-N 3.27Å; A585-K588 PolarHBondContact O-N 2.71Å; L586-K588 PolarHBondContact O-N 3.19Å; K588-Y593 PolarHBondContact O-N 2.79Å; K588-F594 HydrophobicContact CB-CD2 3.7Å; K588-F594 HydrophobicContact CB-CE2 4.33Å; K588-F594 HydrophobicContact CD-CD2 4.11Å; K588-F594 HydrophobicContact CD-CE2 4.19Å |
| 589 | M | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.9 | -38.2 | 172 | -69.9 | -170.5 | -65.2 | 0 | 0 | 111.7 | V442 L543 L547 A585 L586 R587 D591 G592 F594 I599 T601 | V442-M589 HydrophobicContact CG1-SD 4.23Å; V442-M589 HydrophobicContact CG2-SD 4.49Å; L543-M589 HydrophobicContact CD2-CE 3.97Å; L543-M589 HydrophobicContact CD2-SD 4.03Å; L547-M589 HydrophobicContact CD1-SD 4.06Å; A585-M589 WeakPolarHBondContact O-CG 3.33Å; A585-M589 PolarHBondContact O-N 3.06Å; L586-M589 HydrophobicContact CD2-CE 3.48Å; L586-M589 VanDerWaalsContact CD2-CE 3.48Å; L586-M589 WeakPolarHBondContact O-CB 3.33Å; L586-M589 PolarHBondContact O-N 2.8Å; L586-M589 VanDerWaalsContact O-N 3.14Å; R587-M589 VanDerWaalsContact C-N 3.26Å; R587-M589 PolarHBondContact O-N 2.83Å; M589-D591 VanDerWaalsContact C-N 3.32Å; M589-D591 PolarHBondContact O-N 3.1Å; M589-G592 PolarHBondContact O-N 2.91Å; M589-G592 VanDerWaalsContact O-N 3.08Å; M589-F594 HydrophobicContact CG-CB 3.81Å; M589-F594 HydrophobicContact CG-CD1 4.12Å; M589-F594 HydrophobicContact CG-CG 4Å; M589-F594 HydrophobicContact SD-CD1 4.4Å; M589-I599 HydrophobicContact CB-CG2 4Å; M589-I599 HydrophobicContact CG-CG2 4.26Å; M589-T601 HydrophobicContact CB-CG2 3.89Å |
| 590 | Q | 92.6 | Very high | 93.2 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -32.6 | 170.9 | -67.3 | 177.2 | -55.3 | 0 | 0 | 112.7 | G459 L586 R587 G592 | G459-Q590 PolarHBondContact O-NE2 3.17Å; L586-Q590 PolarHBondContact O-N 3.43Å; R587-Q590 CarbonylContact O-C 3.54Å; R587-Q590 WeakPolarHBondContact O-CB 3.29Å; R587-Q590 PolarHBondContact O-N 2.62Å; R587-Q590 VanDerWaalsContact O-N 3.1Å; Q590-G592 PolarHBondContact O-N 3.32Å; Q590-G592 VanDerWaalsContact O-N 3.17Å |
| 591 | D | 93.3 | Very high | 93.4 | Very high | 134 Ų | 134 | 50.3 Ų | 50.3 | 72% | 0.717 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -6.5 | 172 | -64.6 | -34.6 | 0 | 0 | 0 | 113.2 | R587 M589 | R587-D591 PolarHBondContact O-N 2.84Å; M589-D591 VanDerWaalsContact C-N 3.32Å; M589-D591 PolarHBondContact O-N 3.1Å |
| 592 | G | 93.6 | Very high | 93.5 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 4.7 | 173 | 0 | 0 | 0 | 0 | 0 | 116.1 | M589 Q590 I599 | M589-G592 PolarHBondContact O-N 2.91Å; M589-G592 VanDerWaalsContact O-N 3.08Å; Q590-G592 PolarHBondContact O-N 3.32Å; Q590-G592 VanDerWaalsContact O-N 3.17Å; G592-I599 WeakPolarHBondContact CA-O 3.48Å; G592-I599 PolarHBondContact O-N 2.79Å |
| 593 | Y | 93.1 | Very high | 93.5 | Very high | 137 Ų | 137 | 53.9 Ų | 53.9 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 121.3 | 177.7 | -168.1 | -97.9 | 0 | 0 | 0 | 113.4 | K588 G596 A597 R598 | K588-Y593 PolarHBondContact O-N 2.79Å; Y593-G596 WeakPolarHBondContact CE2-O 3.43Å; Y593-G596 VanDerWaalsContact CZ-C 3.46Å; Y593-G596 VanDerWaalsContact OH-C 3.26Å; Y593-G596 WeakPolarHBondContact OH-CA 3.31Å; Y593-G596 PolarHBondContact OH-O 3.28Å; Y593-A597 WeakPolarHBondContact CA-O 3.33Å; Y593-A597 WeakPolarHBondContact CD2-O 3.33Å; Y593-R598 HydrophobicContact CD2-CG 4.27Å |
| 594 | F | 92.8 | Very high | 93.5 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 137.7 | 178.2 | -171.5 | -109.3 | 0 | 0 | 0 | 111.7 | V540 R544 L547 A585 K588 M589 G596 A597 I599 | V540-F594 HydrophobicContact CG1-CZ 3.96Å; R544-F594 HydrophobicContact CB-CE1 3.87Å; R544-F594 HydrophobicContact CB-CZ 4.27Å; R544-F594 VanDerWaalsContact NH2-CZ 3.28Å; L547-F594 HydrophobicContact CD1-CD1 3.68Å; L547-F594 HydrophobicContact CD1-CE1 4.36Å; A585-F594 HydrophobicContact CB-CE2 4.14Å; A585-F594 HydrophobicContact CB-CZ 3.88Å; K588-F594 HydrophobicContact CB-CD2 3.7Å; K588-F594 HydrophobicContact CB-CE2 4.33Å; K588-F594 HydrophobicContact CD-CD2 4.11Å; K588-F594 HydrophobicContact CD-CE2 4.19Å; M589-F594 HydrophobicContact CG-CB 3.81Å; M589-F594 HydrophobicContact CG-CD1 4.12Å; M589-F594 HydrophobicContact CG-CG 4Å; M589-F594 HydrophobicContact SD-CD1 4.4Å; F594-G596 VanDerWaalsContact C-N 3.26Å; F594-G596 PolarHBondContact O-N 3.43Å; F594-G596 VanDerWaalsContact O-N 3.17Å; F594-A597 PolarHBondContact N-O 3.05Å; F594-A597 PolarHBondContact O-N 3.33Å; F594-I599 HydrophobicContact CB-CG1 3.97Å |
| 595 | G | 81.3 | Confident | 93.5 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 14.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | S548 | S548-G595 WeakPolarHBondContact CB-O 3.38Å; S548-G595 PolarHBondContact OG-O 2.86Å |
| 596 | G | 86.1 | Confident | 93.5 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.8 | -15.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y593 F594 | Y593-G596 WeakPolarHBondContact CE2-O 3.43Å; Y593-G596 VanDerWaalsContact CZ-C 3.46Å; Y593-G596 VanDerWaalsContact OH-C 3.26Å; Y593-G596 WeakPolarHBondContact OH-CA 3.31Å; Y593-G596 PolarHBondContact OH-O 3.28Å; F594-G596 VanDerWaalsContact C-N 3.26Å; F594-G596 PolarHBondContact O-N 3.43Å; F594-G596 VanDerWaalsContact O-N 3.17Å |
| 597 | A | 91.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 144.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V440 L547 C551 Y593 F594 I599 | V440-A597 HydrophobicContact CG2-CB 4.19Å; L547-A597 HydrophobicContact CB-CB 4.28Å; L547-A597 WeakPolarHBondContact O-CB 3.29Å; C551-A597 HydrophobicContact CB-CB 3.56Å; Y593-A597 WeakPolarHBondContact CA-O 3.33Å; Y593-A597 WeakPolarHBondContact CD2-O 3.33Å; F594-A597 PolarHBondContact N-O 3.05Å; F594-A597 PolarHBondContact O-N 3.33Å; A597-I599 HydrophobicContact CB-CD1 3.87Å |
| 598 | R | 95.2 | Very high | 93.4 | Very high | 116 Ų | 116 | 56.5 Ų | 56.5 | 44% | 0.438 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129.5 | 161 | -88.4 | 176.1 | -105.3 | 177.4 | -7.6 | 108.7 | D437 V439 V440 Y593 | D437-R598 VanDerWaalsContact CG-CZ 3.41Å; D437-R598 VanDerWaalsContact CG-NH1 3.3Å; D437-R598 IonicContact OD1-CZ 3.08Å; D437-R598 IonicContact OD1-NH2 3.53Å; D437-R598 PolarHBondContact OD1-NH2 3.41Å; D437-R598 IonicContact OD2-CZ 3.67Å; D437-R598 IonicContact OD2-NH1 3.02Å; D437-R598 PolarHBondContact OD2-NH1 2.97Å; D437-R598 IonicContact OD2-NH2 2.66Å; D437-R598 PolarHBondContact OD2-NH2 3.19Å; V439-R598 HydrophobicContact CG2-CB 4.26Å; V440-R598 PolarHBondContact N-O 3.17Å; Y593-R598 HydrophobicContact CD2-CG 4.27Å |
| 599 | I | 96.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.9 | -175 | -54 | -58.4 | 0 | 0 | 0 | 109.8 | V440 V442 L547 M589 G592 F594 A597 T601 | V440-I599 HydrophobicContact CB-CD1 4.07Å; V440-I599 CarbonylContact O-C 3.51Å; V440-I599 WeakPolarHBondContact O-CA 3.29Å; V442-I599 HydrophobicContact CB-CG2 4.34Å; V442-I599 HydrophobicContact CG2-CG2 3.86Å; L547-I599 HydrophobicContact CB-CD1 4.4Å; L547-I599 HydrophobicContact CD1-CD1 4Å; L547-I599 HydrophobicContact CD2-CD1 3.77Å; L547-I599 HydrophobicContact CG-CD1 4.28Å; M589-I599 HydrophobicContact CB-CG2 4Å; M589-I599 HydrophobicContact CG-CG2 4.26Å; G592-I599 WeakPolarHBondContact CA-O 3.48Å; G592-I599 PolarHBondContact O-N 2.79Å; F594-I599 HydrophobicContact CB-CG1 3.97Å; A597-I599 HydrophobicContact CB-CD1 3.87Å; I599-T601 HydrophobicContact CG2-CG2 4.27Å |
| 600 | Q | 96.6 | Very high | 93.4 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 113 | 164.9 | -175.4 | -177.9 | 0.9 | 0 | 0 | 108.8 | V439 V440 Q441 V442 F607 | V439-Q600 HydrophobicContact CG1-CB 3.87Å; V440-Q600 PolarHBondContact O-N 3.34Å; Q441-Q600 CarbonylContact C-O 3.59Å; Q441-Q600 WeakPolarHBondContact CA-O 3.46Å; V442-Q600 PolarHBondContact N-O 2.74Å; Q600-F607 HydrophobicContact CG-CE1 3.94Å; Q600-F607 HydrophobicContact CG-CZ 4.2Å; Q600-F607 WeakPolarHBondContact O-CZ 3.45Å |
| 601 | T | 96.8 | Very high | 93.6 | Very high | 47 Ų | 47 | 57 Ų | 57 | 29% | 0.288 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 141.7 | 171.4 | 54.3 | 0 | 0 | 0 | 0 | 111 | V442 I444 M589 I599 | V442-T601 WeakPolarHBondContact O-CA 3.34Å; I444-T601 HydrophobicContact CD1-CG2 4.29Å; M589-T601 HydrophobicContact CB-CG2 3.89Å; I599-T601 HydrophobicContact CG2-CG2 4.27Å |
| 602 | G | 95.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 50.9 Ų | 50.9 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | trans | 177.4 | -178 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | V442 S443 F607 | V442-G602 PolarHBondContact O-N 2.8Å; S443-G602 WeakPolarHBondContact CA-O 3.24Å; S443-G602 WeakPolarHBondContact CB-O 3.5Å; S443-G602 PolarHBondContact OG-O 2.86Å; G602-F607 VanDerWaalsContact CA-CZ 3.49Å | ||
| 603 | K | 95.7 | Very high | 93.6 | Very high | 86 Ų | 86 | 53 Ų | 53 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | trans | -80.6 | 147.9 | 179.4 | -62.3 | -178.3 | 164.8 | -146.8 | 0 | 111.6 | E463 S605 E606 F607 | E463-K603 HydrophobicContact CG-CD 4.42Å; E463-K603 WeakPolarHBondContact OE1-CD 3.19Å; E463-K603 VanDerWaalsContact OE1-CE 3.32Å; E463-K603 WeakPolarHBondContact OE1-CE 3.46Å; E463-K603 IonicContact OE1-NZ 2.68Å; E463-K603 PolarHBondContact OE1-NZ 3.25Å; K603-S605 PolarHBondContact O-N 2.94Å; K603-E606 HydrophobicContact CB-CB 4.39Å; K603-E606 HydrophobicContact CB-CG 3.95Å; K603-E606 PolarHBondContact N-OE2 2.8Å; K603-E606 WeakPolarHBondContact O-CB 3.28Å; K603-E606 PolarHBondContact O-N 3.4Å; K603-F607 WeakPolarHBondContact O-CD2 3.45Å; K603-F607 PolarHBondContact O-N 3.44Å | ||
| 604 | L | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.8 | -35.3 | 174.3 | -88.2 | 162 | 0 | 0 | 0 | 112.7 | S443 L445 V468 I471 V473 L510 T519 T561 T563 E606 F607 L608 | S443-L604 PolarHBondContact OG-N 2.67Å; L445-L604 HydrophobicContact CD1-CD1 4.13Å; V468-L604 HydrophobicContact CG1-CB 4.15Å; V468-L604 HydrophobicContact CG1-CD1 3.64Å; I471-L604 HydrophobicContact CD1-CB 3.87Å; V473-L604 HydrophobicContact CG2-CD1 4.5Å; L510-L604 HydrophobicContact CD2-CD2 4.1Å; T519-L604 HydrophobicContact CG2-CD1 3.9Å; T519-L604 HydrophobicContact CG2-CD2 4.29Å; T561-L604 HydrophobicContact CG2-CD2 4.14Å; T563-L604 HydrophobicContact CG2-CD1 4.05Å; L604-E606 VanDerWaalsContact C-N 3.33Å; L604-E606 PolarHBondContact O-N 3.07Å; L604-F607 PolarHBondContact O-N 2.74Å; L604-L608 PolarHBondContact O-N 3.15Å |
| 605 | S | 94.3 | Very high | 93.5 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 47% | 0.469 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.7 | -31.2 | 175.9 | 53 | 0 | 0 | 0 | 0 | 113.6 | K603 | K603-S605 PolarHBondContact O-N 2.94Å |
| 606 | E | 94.9 | Very high | 93.9 | Very high | 115 Ų | 115 | 49 Ų | 49 | 54% | 0.537 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -74.6 | -35.1 | 176.5 | -66.1 | 163.7 | 172 | 0 | 0 | 111.4 | K603 L604 | K603-E606 HydrophobicContact CB-CB 4.39Å; K603-E606 HydrophobicContact CB-CG 3.95Å; K603-E606 PolarHBondContact N-OE2 2.8Å; K603-E606 WeakPolarHBondContact O-CB 3.28Å; K603-E606 PolarHBondContact O-N 3.4Å; L604-E606 VanDerWaalsContact C-N 3.33Å; L604-E606 PolarHBondContact O-N 3.07Å |
| 607 | F | 95.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -79.7 | -16.3 | -177.5 | -62.6 | -37.7 | 0 | 0 | 0 | 115 | Q441 T561 Q600 G602 K603 L604 T609 T610 S611 | Q441-F607 HydrophobicContact CB-CD1 4.17Å; Q441-F607 HydrophobicContact CB-CD2 3.97Å; Q441-F607 HydrophobicContact CB-CE1 4.1Å; Q441-F607 HydrophobicContact CB-CE2 3.89Å; Q441-F607 HydrophobicContact CB-CG 4.11Å; Q441-F607 HydrophobicContact CB-CZ 3.94Å; Q441-F607 VanDerWaalsContact CD-CD1 3.46Å; Q441-F607 HydrophobicContact CG-CD1 4.1Å; Q441-F607 HydrophobicContact CG-CE1 4.06Å; Q441-F607 HydrophobicContact CG-CG 4.45Å; Q441-F607 HydrophobicContact CG-CZ 4.36Å; Q441-F607 VanDerWaalsContact NE2-CD1 3.32Å; T561-F607 HydrophobicContact CG2-CB 4.42Å; T561-F607 HydrophobicContact CG2-CD2 4.16Å; Q600-F607 HydrophobicContact CG-CE1 3.94Å; Q600-F607 HydrophobicContact CG-CZ 4.2Å; Q600-F607 WeakPolarHBondContact O-CZ 3.45Å; G602-F607 VanDerWaalsContact CA-CZ 3.49Å; K603-F607 WeakPolarHBondContact O-CD2 3.45Å; K603-F607 PolarHBondContact O-N 3.44Å; L604-F607 PolarHBondContact O-N 2.74Å; F607-T609 PolarHBondContact O-N 2.97Å; F607-T610 PolarHBondContact O-N 3.06Å; F607-T610 PolarHBondContact O-OG1 3.21Å; F607-S611 WeakPolarHBondContact CB-OG 3.34Å; F607-S611 PolarHBondContact O-N 3.37Å; F607-S611 PolarHBondContact O-OG 3.45Å |
| 608 | L | 93.2 | Very high | 93.5 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -34 | -177.7 | -73.6 | -177.7 | 0 | 0 | 0 | 115.7 | I471 L510 I517 L604 | I471-L608 HydrophobicContact CD1-CD1 4.25Å; I471-L608 HydrophobicContact CD1-CD2 3.61Å; I471-L608 HydrophobicContact CD1-CG 4.07Å; I471-L608 HydrophobicContact CG1-CD2 4.21Å; L510-L608 HydrophobicContact CD1-CD2 3.66Å; I517-L608 HydrophobicContact CD1-CD2 3.78Å; I517-L608 HydrophobicContact CG2-CD2 4.4Å; L604-L608 PolarHBondContact O-N 3.15Å |
| 609 | T | 93.4 | Very high | 93 | Very high | 132 Ų | 132 | 45.6 Ų | 45.6 | 81% | 0.81 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -13.4 | -177.9 | 61.6 | 0 | 0 | 0 | 0 | 114.4 | F607 | F607-T609 PolarHBondContact O-N 2.97Š|
| 610 | T | 95.1 | Very high | 92.2 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -25.1 | -176.2 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | Q441 G558 Q559 F607 | Q441-T610 PolarHBondContact NE2-OG1 3.05Å; Q441-T610 PolarHBondContact OE1-OG1 3.03Å; Q441-T610 VanDerWaalsContact OE1-OG1 3.13Å; G558-T610 CarbonylContact C-O 3.6Å; G558-T610 WeakPolarHBondContact CA-O 3.33Å; Q559-T610 PolarHBondContact N-O 3.36Å; F607-T610 PolarHBondContact O-N 3.06Å; F607-T610 PolarHBondContact O-OG1 3.21Å |
| 611 | S | 95.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 150.7 | 176.9 | -60.1 | 0 | 0 | 0 | 0 | 112 | Q559 T561 F607 C613 | Q559-S611 WeakPolarHBondContact O-CA 3.39Å; T561-S611 VanDerWaalsContact OG1-CB 3.28Å; T561-S611 WeakPolarHBondContact OG1-CB 3.46Å; T561-S611 PolarHBondContact OG1-OG 3.01Å; F607-S611 WeakPolarHBondContact CB-OG 3.34Å; F607-S611 PolarHBondContact O-N 3.37Å; F607-S611 PolarHBondContact O-OG 3.45Å; S611-C613 PolarHBondContact O-N 3.29Å |
| 612 | C | 94.8 | Very high | 88.6 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | trans | -65.2 | 125.8 | 159.6 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | L510 W554 T557 Q559 | L510-C612 PolarHBondContact N-O 2.87Å; W554-C612 HydrophobicContact CH2-CB 4.34Å; W554-C612 HydrophobicContact CZ2-CB 3.52Å; T557-C612 WeakPolarHBondContact O-CA 3.48Å; T557-C612 VanDerWaalsContact O-CB 3.3Å; T557-C612 WeakPolarHBondContact O-CB 3.46Å; T557-C612 PolarHBondContact O-SG 3.47Å; Q559-C612 PolarHBondContact O-N 3.34Å | ||
| 613 | C | 93.6 | Very high | 86.2 | Confident | 73 Ų | 73 | 50 Ų | 50 | 49% | 0.493 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.2 | 175 | -168.4 | 0 | 0 | 0 | 0 | 110 | L510 S611 | L510-C613 HydrophobicContact CB-CB 4.45Å; L510-C613 CarbonylContact O-C 3.51Å; L510-C613 VanDerWaalsContact O-CA 3.29Å; L510-C613 WeakPolarHBondContact O-CA 3.47Å; S611-C613 PolarHBondContact O-N 3.29Å |
| 614 | T | 92.1 | Very high | 83.7 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.7 | 175.9 | -61.4 | 0 | 0 | 0 | 0 | 109.2 | L510 Y511 D512 L616 | L510-T614 PolarHBondContact O-N 3.48Å; Y511-T614 CarbonylContact C-O 3.6Å; Y511-T614 VanDerWaalsContact CA-O 3.27Å; Y511-T614 WeakPolarHBondContact CA-O 3.31Å; Y511-T614 HydrophobicContact CD1-CG2 4.37Å; Y511-T614 HydrophobicContact CE1-CG2 4.17Å; D512-T614 PolarHBondContact N-O 3.28Å; T614-L616 HydrophobicContact CG2-CD2 4Å |
| 615 | H | 90.4 | Very high | 81 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 34% | 0.338 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.9 | 178.2 | 176 | 45.7 | 0 | 0 | 0 | 110 | D512 S617 D620 | D512-H615 HydrophobicContact CB-CB 4.45Å; D512-H615 WeakPolarHBondContact O-CA 3.37Å; D512-H615 PolarHBondContact O-ND1 2.91Å; H615-S617 VanDerWaalsContact C-N 3.32Å; H615-S617 PolarHBondContact O-N 3.5Å; H615-D620 IonicContact CE1-OD2 3.46Å; H615-D620 IonicContact NE2-OD2 3.63Å |
| 616 | L | 90.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -92.1 | 65.9 | -178.2 | -55.1 | -173.2 | 0 | 0 | 0 | 110.8 | L479 I482 Y483 Y511 D512 I513 T614 F618 M619 | L479-L616 HydrophobicContact CD1-CD1 4.36Å; I482-L616 HydrophobicContact CG2-CD1 3.73Å; Y483-L616 HydrophobicContact CE1-CD2 4.47Å; Y483-L616 HydrophobicContact CE2-CD2 4.47Å; Y511-L616 HydrophobicContact CD1-CD1 3.8Å; Y511-L616 HydrophobicContact CD1-CD2 3.78Å; Y511-L616 HydrophobicContact CD1-CG 3.78Å; Y511-L616 HydrophobicContact CE1-CD1 4.3Å; Y511-L616 HydrophobicContact CE1-CD2 3.92Å; Y511-L616 HydrophobicContact CE1-CG 4.37Å; D512-L616 PolarHBondContact O-N 2.9Å; I513-L616 HydrophobicContact CD1-CD1 3.85Å; I513-L616 HydrophobicContact CG1-CB 4.26Å; I513-L616 HydrophobicContact CG1-CD1 4.01Å; I513-L616 HydrophobicContact CG1-CG 4.26Å; T614-L616 HydrophobicContact CG2-CD2 4Å; L616-F618 HydrophobicContact CB-CD1 4.39Å; L616-F618 HydrophobicContact CB-CE1 3.9Å; L616-F618 HydrophobicContact CB-CZ 4.26Å; L616-F618 HydrophobicContact CD1-CZ 4.44Å; L616-F618 HydrophobicContact CD2-CE1 3.89Å; L616-F618 HydrophobicContact CD2-CZ 4.42Å; L616-F618 HydrophobicContact CG-CE1 4.34Å; L616-F618 PolarHBondContact O-N 3.45Å; L616-F618 VanDerWaalsContact O-N 3.16Å; L616-M619 HydrophobicContact CB-CG 4.43Å; L616-M619 WeakPolarHBondContact O-CB 3.38Å; L616-M619 PolarHBondContact O-N 2.9Å | ||
| 617 | S | 83.3 | Confident | 75 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -56.7 | -27.4 | -176.8 | 49.9 | 0 | 0 | 0 | 0 | 115 | P224 H615 M619 D620 | P224-S617 VanDerWaalsContact O-CB 3.28Å; P224-S617 WeakPolarHBondContact O-CB 3.45Å; P224-S617 PolarHBondContact O-OG 3.31Å; H615-S617 VanDerWaalsContact C-N 3.32Å; H615-S617 PolarHBondContact O-N 3.5Å; S617-M619 PolarHBondContact O-N 2.88Å; S617-M619 VanDerWaalsContact O-N 3.16Å; S617-D620 WeakPolarHBondContact O-CB 3.43Å; S617-D620 PolarHBondContact O-N 3.02Å |
| 618 | F | 86.3 | Confident | 72 | Confident | 49 Ų | 49 | 69.5 Ų | 69.5 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -64.6 | -14.1 | 175 | 66.5 | -92.1 | 0 | 0 | 0 | 113.7 | H229 I482 Y483 L486 L616 | H229-F618 AromaticContact CD2-CD1 3.73Å; H229-F618 AromaticContact NE2-CD1 3.78Å; I482-F618 HydrophobicContact CG2-CE2 4.33Å; I482-F618 HydrophobicContact CG2-CZ 4.23Å; Y483-F618 HydrophobicContact CD1-CZ 4.3Å; Y483-F618 HydrophobicContact CE1-CE1 4.45Å; Y483-F618 HydrophobicContact CE1-CZ 4.47Å; L486-F618 HydrophobicContact CB-CD2 4.38Å; L486-F618 HydrophobicContact CB-CE2 4.07Å; L486-F618 HydrophobicContact CB-CZ 4.13Å; L486-F618 HydrophobicContact CD1-CB 4.26Å; L486-F618 HydrophobicContact CD1-CD1 3.64Å; L486-F618 HydrophobicContact CD1-CD2 4.24Å; L486-F618 HydrophobicContact CD1-CE1 3.93Å; L486-F618 HydrophobicContact CD1-CG 3.8Å; L486-F618 HydrophobicContact CD1-CZ 4.37Å; L616-F618 HydrophobicContact CB-CD1 4.39Å; L616-F618 HydrophobicContact CB-CE1 3.9Å; L616-F618 HydrophobicContact CB-CZ 4.26Å; L616-F618 HydrophobicContact CD1-CZ 4.44Å; L616-F618 HydrophobicContact CD2-CE1 3.89Å; L616-F618 HydrophobicContact CD2-CZ 4.42Å; L616-F618 HydrophobicContact CG-CE1 4.34Å; L616-F618 PolarHBondContact O-N 3.45Å; L616-F618 VanDerWaalsContact O-N 3.16Å |
| 619 | M | 84.1 | Confident | 69 | Low | 29 Ų | 29 | 70.6 Ų | 70.6 | 14% | 0.143 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -87.9 | -9 | 173.3 | -68.1 | -64.3 | -63.2 | 0 | 0 | 113.6 | I482 I513 R514 L616 S617 | I482-M619 HydrophobicContact CG2-CG 3.97Å; I482-M619 HydrophobicContact CG2-SD 4.08Å; I513-M619 HydrophobicContact CG2-CB 3.96Å; I513-M619 HydrophobicContact CG2-CG 4.34Å; R514-M619 VanDerWaalsContact CZ-O 3.28Å; R514-M619 PolarHBondContact NE-O 3.25Å; R514-M619 PolarHBondContact NH2-O 3.36Å; L616-M619 HydrophobicContact CB-CG 4.43Å; L616-M619 WeakPolarHBondContact O-CB 3.38Å; L616-M619 PolarHBondContact O-N 2.9Å; S617-M619 PolarHBondContact O-N 2.88Å; S617-M619 VanDerWaalsContact O-N 3.16Å |
| 620 | D | 80 | Confident | 66 | Low | 51 Ų | 51 | 72.2 Ų | 72.2 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -74.4 | 145.6 | 179.4 | -72 | -24.2 | 0 | 0 | 0 | 111.6 | R514 H615 S617 G622 | R514-D620 WeakPolarHBondContact CG-OD1 3.48Å; H615-D620 IonicContact CE1-OD2 3.46Å; H615-D620 IonicContact NE2-OD2 3.63Å; S617-D620 WeakPolarHBondContact O-CB 3.43Å; S617-D620 PolarHBondContact O-N 3.02Å; D620-G622 PolarHBondContact O-N 3.31Å; D620-G622 VanDerWaalsContact O-N 3.08Å |
| 621 | P | 60.3 | Low | 63 | Low | 95 Ų | 95 | 76 Ų | 76 | 62% | 0.617 | 41% | 0.41 | S | S | * | . | trans | -62.6 | 114.4 | -178.1 | 24.8 | -33.7 | 0 | 0 | 0 | 111.3 | ||||
| 622 | G | 57.7 | Low | 60 | Low | 23 Ų | 23 | 86.4 Ų | 86.4 | 24% | 0.237 | 45% | 0.448 | C | S | . | . | trans | -69.4 | 174.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D620 E624 G625 | D620-G622 PolarHBondContact O-N 3.31Å; D620-G622 VanDerWaalsContact O-N 3.08Å; G622-E624 PolarHBondContact O-N 3.11Å; G622-E624 VanDerWaalsContact O-N 3.16Å; G622-G625 PolarHBondContact O-N 3.01Å | ||
| 623 | P | 45.6 | Very low | 56.9 | Low | 97 Ų | 97 | 94.2 Ų | 94.2 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -55.7 | -34.9 | -178.8 | -25.7 | 34.6 | 0 | 0 | 0 | 114 | G625 K626 | P623-G625 VanDerWaalsContact C-N 3.27Å; P623-G625 PolarHBondContact O-N 3.01Å; P623-K626 PolarHBondContact O-N 3.39Å |
| 624 | E | 43 | Very low | 53.9 | Low | 136 Ų | 136 | 99.6 Ų | 99.6 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -67.5 | -25.1 | 178 | -62.5 | -178 | 177.8 | 0 | 0 | 112.5 | R491 G622 K626 L627 | R491-E624 IonicContact NH2-OE1 2.8Å; R491-E624 PolarHBondContact NH2-OE1 3.26Å; G622-E624 PolarHBondContact O-N 3.11Å; G622-E624 VanDerWaalsContact O-N 3.16Å; E624-K626 VanDerWaalsContact C-N 3.28Å; E624-K626 PolarHBondContact O-N 2.73Å; E624-L627 PolarHBondContact O-N 3.3Å |
| 625 | G | 37.3 | Very low | 50.8 | Low | 44 Ų | 44 | 105.7 Ų | 105.7 | 45% | 0.454 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -71 | -18.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G622 P623 | G622-G625 PolarHBondContact O-N 3.01Å; P623-G625 VanDerWaalsContact C-N 3.27Å; P623-G625 PolarHBondContact O-N 3.01Å |
| 626 | K | 33.1 | Very low | 48 | Very low | 150 Ų | 150 | 113.1 Ų | 113.1 | 65% | 0.652 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -82.5 | -16.8 | 176 | -67.6 | -169.7 | 174.3 | -169.7 | 0 | 113.9 | P623 E624 Y628 S629 | P623-K626 PolarHBondContact O-N 3.39Å; E624-K626 VanDerWaalsContact C-N 3.28Å; E624-K626 PolarHBondContact O-N 2.73Å; K626-Y628 PolarHBondContact O-N 2.55Å; K626-S629 PolarHBondContact O-OG 2.82Å |
| 627 | L | 31.1 | Very low | 45 | Very low | 140 Ų | 140 | 120.7 Ų | 120.7 | 73% | 0.733 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -78.5 | -6.6 | -178.8 | -112.6 | 102.5 | 0 | 0 | 0 | 114 | E624 | E624-L627 PolarHBondContact O-N 3.3Š|
| 628 | Y | 32.2 | Very low | 42.4 | Very low | 211 Ų | 211 | 128.3 Ų | 128.3 | 83% | 0.827 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -113.6 | 8.5 | -177.6 | -66.8 | -75.7 | 0 | 0 | 0 | 113.5 | K626 | K626-Y628 PolarHBondContact O-N 2.55Š|
| 629 | S | 30.6 | Very low | 39.8 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -121.2 | 2.9 | -175 | 67.5 | 0 | 0 | 0 | 0 | 115.4 | K626 | K626-S629 PolarHBondContact O-OG 2.82Š|
| 630 | E | 30.1 | Very low | 37.2 | Very low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -118.7 | -7.5 | -175.8 | -71.7 | -172.9 | 169 | 0 | 0 | 114.7 | ||
| 631 | D | 32.2 | Very low | 34.6 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -110.6 | 91.7 | 174 | -71.8 | -33.2 | 0 | 0 | 0 | 110 | ||
| 632 | Y | 32.8 | Very low | 33.1 | Very low | 228 Ų | 228 | 146.6 Ų | 146.6 | 89% | 0.894 | 75% | 0.745 | S | S | * | * | trans | 158.1 | 81.4 | 148.7 | -80.7 | -55.3 | 0 | 0 | 0 | 110.6 | ||||
| 633 | D | 29.8 | Very low | 31.5 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | trans | -160.5 | 104.9 | 154.4 | -103.1 | -25.2 | 0 | 0 | 0 | 109 | ||||
| 634 | E | 29.1 | Very low | 30.5 | Very low | 186 Ų | 186 | 151.3 Ų | 151.3 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -152.1 | 125.3 | 159.5 | -122 | 177.1 | -158.5 | 0 | 0 | 109.5 | ||||
| 635 | D | 28.4 | Very low | 29.6 | Very low | 139 Ų | 139 | 155 Ų | 155 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | 58.1 | 113.6 | 167.5 | -59.9 | -15.5 | 0 | 0 | 0 | 120.5 | ||||
| 636 | Y | 30 | Very low | 29.1 | Very low | 229 Ų | 229 | 161.9 Ų | 161.9 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | -169.9 | 124.2 | 96.3 | -109.3 | -83.8 | 0 | 0 | 0 | 111.6 | |||||
| 637 | D | 28.8 | Very low | 28.8 | Very low | 159 Ų | 159 | 161.9 Ų | 161.9 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -74.3 | 141.7 | 166.4 | -92.7 | -36.9 | 0 | 0 | 0 | 111.1 | ||||
| 638 | D | 28.8 | Very low | 28.3 | Very low | 164 Ų | 164 | 161 Ų | 161 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -159.8 | 141.8 | 131.3 | -133.4 | -15.3 | 0 | 0 | 0 | 111.7 | ||||
| 639 | E | 31.6 | Very low | 28 | Very low | 178 Ų | 178 | 161.8 Ų | 161.8 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -80.2 | 147 | 178 | -61.5 | 179.4 | 124.4 | 0 | 0 | 111.4 | ||||
| 640 | L | 27.7 | Very low | 27.8 | Very low | 167 Ų | 167 | 162.1 Ų | 162.1 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -173.3 | 110.1 | 140.6 | -104.7 | 164.5 | 0 | 0 | 0 | 115 | ||||
| 641 | D | 25.6 | Very low | 27.6 | Very low | 153 Ų | 153 | 159.4 Ų | 159.4 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 50.8 | 154.4 | 144.4 | -137 | -12.3 | 0 | 0 | 0 | 123.3 | ||||
| 642 | S | 29.2 | Very low | 27.3 | Very low | 110 Ų | 110 | 160.1 Ų | 160.1 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -87 | 143.7 | -170.7 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 643 | G | 23.9 | Very low | 27 | Very low | 67 Ų | 67 | 158.7 Ų | 158.7 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | 160.1 | 98.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 644 | N | 25.5 | Very low | 27 | Very low | 153 Ų | 153 | 155.5 Ų | 155.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 72.2 | 174.1 | 158.9 | -138.3 | 16.4 | 0 | 0 | 0 | 117 | ||||
| 645 | W | 22.8 | Very low | 27.1 | Very low | 213 Ų | 213 | 151.9 Ų | 151.9 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | 84.8 | 68.9 | -177.8 | -52.7 | 101.1 | 0 | 0 | 0 | 116.8 | D647 | W645-D647 PolarHBondContact O-N 3.21Š| ||
| 646 | M | 26.5 | Very low | 27.3 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 93% | 0.931 | 77% | 0.772 | S | S | * | * | trans | -65.4 | 76.3 | 148.7 | -177.8 | 176.9 | -174.8 | 0 | 0 | 109.5 | ||||
| 647 | D | 27.1 | Very low | 27.5 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | trans | -174.3 | 82.7 | 163.4 | -100.2 | -23.4 | 0 | 0 | 0 | 110.5 | W645 | W645-D647 PolarHBondContact O-N 3.21Š| ||
| 648 | S | 21.6 | Very low | 27.8 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | -162.5 | 129.7 | 154.1 | -167.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 649 | Y | 25.5 | Very low | 28.1 | Very low | 228 Ų | 228 | 139.9 Ų | 139.9 | 89% | 0.894 | 73% | 0.726 | S | S | * | * | trans | -89.1 | 153.7 | 173.6 | -105.3 | -103.7 | 0 | 0 | 0 | 111 | ||||
| 650 | D | 26.5 | Very low | 28.2 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 51% | 0.513 | 69% | 0.691 | S | S | . | * | trans | 77.5 | 103.6 | 151.3 | -155.6 | 20.5 | 0 | 0 | 0 | 120.3 | ||||
| 651 | S | 25.4 | Very low | 28.2 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -163 | 110.6 | 132.3 | -87 | 0 | 0 | 0 | 0 | 110 | ||
| 652 | T | 26 | Very low | 28.4 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 94% | 0.939 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 152.7 | -1.5 | 166.7 | 36.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 653 | R | 27.6 | Very low | 28.7 | Very low | 199 Ų | 199 | 129.4 Ų | 129.4 | 75% | 0.751 | 67% | 0.667 | S | S | * | * | trans | -100.8 | 26.8 | -173.8 | -130.5 | -174.2 | -168.4 | -166.6 | 4.3 | 115 | ||||
| 654 | N | 28.8 | Very low | 29.1 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 54% | 0.54 | 65% | 0.648 | S | S | . | * | trans | -120.6 | 122.1 | -178.8 | -82.2 | -47 | 0 | 0 | 0 | 113.2 | ||||
| 655 | D | 31.8 | Very low | 29.4 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -177.9 | -21.9 | 155.6 | -114.2 | -8.8 | 0 | 0 | 0 | 111.9 | R514 | R514-D655 PolarHBondContact NH1-O 3.32Š|
| 656 | V | 32.6 | Very low | 29.7 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 40% | 0.4 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -91.1 | -33.6 | 169.6 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | M658 Y659 L660 | V656-M658 PolarHBondContact O-N 3.35Å; V656-Y659 PolarHBondContact O-N 2.99Å; V656-L660 HydrophobicContact CG1-CD1 4Å |
| 657 | H | 34.8 | Very low | 29.7 | Very low | 71 Ų | 71 | 117.8 Ų | 117.8 | 33% | 0.329 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.8 | -15 | 175.7 | -76.6 | -63.6 | 0 | 0 | 0 | 114.4 | Y659 F665 | H657-Y659 VanDerWaalsContact C-N 3.25Å; H657-Y659 PolarHBondContact O-N 3.11Å; H657-F665 AromaticContact CE1-CD2 3.69Å; H657-F665 AromaticContact CE1-CE2 3.68Å; H657-F665 AromaticContact ND1-CD2 3.82Å; H657-F665 AromaticContact ND1-CE2 3.69Å |
| 658 | M | 35.3 | Very low | 29.8 | Very low | 137 Ų | 137 | 116.1 Ų | 116.1 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -17.3 | 179.1 | -138.2 | -174.3 | 78.7 | 0 | 0 | 113.6 | V656 | V656-M658 PolarHBondContact O-N 3.35Š|
| 659 | Y | 33.4 | Very low | 30.1 | Very low | 165 Ų | 165 | 119.3 Ų | 119.3 | 65% | 0.647 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -4.7 | 179.4 | -69.5 | -83.9 | 0 | 0 | 0 | 114.1 | V656 H657 | V656-Y659 PolarHBondContact O-N 2.99Å; H657-Y659 VanDerWaalsContact C-N 3.25Å; H657-Y659 PolarHBondContact O-N 3.11Å |
| 660 | L | 34.4 | Very low | 30.3 | Very low | 18 Ų | 18 | 113.7 Ų | 113.7 | 9% | 0.094 | 59% | 0.592 | C | S | . | * | S | Bend | trans | -112.2 | 117.2 | 174.8 | -68.6 | 176.5 | 0 | 0 | 0 | 109.2 | I478 H481 V656 T662 F665 | I478-L660 HydrophobicContact CG2-CD1 4.32Å; H481-L660 HydrophobicContact CB-CD2 4.11Å; V656-L660 HydrophobicContact CG1-CD1 4Å; L660-T662 PolarHBondContact O-N 3.31Å; L660-T662 VanDerWaalsContact O-N 3.16Å; L660-F665 HydrophobicContact CB-CE2 3.88Å; L660-F665 HydrophobicContact CB-CZ 4.47Å; L660-F665 HydrophobicContact CD1-CE2 4.04Å; L660-F665 HydrophobicContact CD1-CZ 3.79Å |
| 661 | P | 28 | Very low | 30.5 | Very low | 80 Ų | 80 | 113.4 Ų | 113.4 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | trans | -50.3 | 123.3 | 178.9 | -28.8 | 33.5 | 0 | 0 | 0 | 112.1 | K663 L664 | P661-K663 PolarHBondContact O-N 2.98Å; P661-L664 HydrophobicContact CB-CD1 4.29Å; P661-L664 HydrophobicContact CB-CG 4.35Å; P661-L664 HydrophobicContact CG-CD1 4.23Å; P661-L664 WeakPolarHBondContact O-CB 3.48Å; P661-L664 PolarHBondContact O-N 3.44Å | ||
| 662 | T | 30.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 113.3 Ų | 113.3 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -57.4 | -19.8 | -177.4 | -18.4 | 0 | 0 | 0 | 0 | 113 | L660 L664 F665 | L660-T662 PolarHBondContact O-N 3.31Å; L660-T662 VanDerWaalsContact O-N 3.16Å; T662-L664 VanDerWaalsContact C-N 3.3Å; T662-L664 PolarHBondContact O-N 3.5Å; T662-F665 PolarHBondContact O-N 2.85Å |
| 663 | K | 34.7 | Very low | 31.6 | Very low | 177 Ų | 177 | 111 Ų | 111 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -70 | -15.9 | 173.7 | -62.1 | -170.8 | 177.8 | -173.4 | 0 | 114.7 | P661 F665 | P661-K663 PolarHBondContact O-N 2.98Å; K663-F665 VanDerWaalsContact C-N 3.32Å |
| 664 | L | 32.2 | Very low | 32.1 | Very low | 52 Ų | 52 | 103 Ų | 103 | 27% | 0.272 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -79.9 | -13.6 | 177.3 | -68.6 | 170.8 | 0 | 0 | 0 | 113.6 | P661 T662 | P661-L664 HydrophobicContact CB-CD1 4.29Å; P661-L664 HydrophobicContact CB-CG 4.35Å; P661-L664 HydrophobicContact CG-CD1 4.23Å; P661-L664 WeakPolarHBondContact O-CB 3.48Å; P661-L664 PolarHBondContact O-N 3.44Å; T662-L664 VanDerWaalsContact C-N 3.3Å; T662-L664 PolarHBondContact O-N 3.5Å |
| 665 | F | 32.3 | Very low | 32.7 | Very low | 74 Ų | 74 | 101.5 Ų | 101.5 | 33% | 0.325 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -107.5 | 32.8 | -178.4 | -63.9 | -73.6 | 0 | 0 | 0 | 112.6 | I478 H657 L660 T662 K663 P667 | I478-F665 HydrophobicContact CD1-CE1 4.42Å; I478-F665 HydrophobicContact CD1-CZ 4.45Å; H657-F665 AromaticContact CE1-CD2 3.69Å; H657-F665 AromaticContact CE1-CE2 3.68Å; H657-F665 AromaticContact ND1-CD2 3.82Å; H657-F665 AromaticContact ND1-CE2 3.69Å; L660-F665 HydrophobicContact CB-CE2 3.88Å; L660-F665 HydrophobicContact CB-CZ 4.47Å; L660-F665 HydrophobicContact CD1-CE2 4.04Å; L660-F665 HydrophobicContact CD1-CZ 3.79Å; T662-F665 PolarHBondContact O-N 2.85Å; K663-F665 VanDerWaalsContact C-N 3.32Å; F665-P667 WeakPolarHBondContact O-CD 3.47Å |
| 666 | Q | 27.8 | Very low | 32.9 | Very low | 141 Ų | 141 | 103.4 Ų | 103.4 | 66% | 0.659 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 117.6 | 170.8 | -74.5 | -171.6 | -24.2 | 0 | 0 | 109.6 | ||
| 667 | P | 27.1 | Very low | 32.9 | Very low | 112 Ų | 112 | 105.6 Ų | 105.6 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 154.2 | 158.8 | 30.5 | -34.1 | 0 | 0 | 0 | 108.7 | F665 R669 | F665-P667 WeakPolarHBondContact O-CD 3.47Å; P667-R669 PolarHBondContact O-N 2.84Å |
| 668 | S | 29 | Very low | 32.8 | Very low | 115 Ų | 115 | 108 Ų | 108 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 123.1 | 172.9 | -43 | 0 | 0 | 0 | 0 | 110 | ||
| 669 | R | 27.6 | Very low | 32.4 | Very low | 188 Ų | 188 | 111.1 Ų | 111.1 | 71% | 0.709 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -59 | 142.9 | 164.8 | -83.4 | -178.8 | 168.9 | 171.9 | -5.9 | 107.9 | P667 E750 | P667-R669 PolarHBondContact O-N 2.84Å; R669-E750 IonicContact NH1-OE1 2.68Å; R669-E750 PolarHBondContact NH1-OE1 2.99Å |
| 670 | P | 29.8 | Very low | 32 | Very low | 110 Ų | 110 | 108.3 Ų | 108.3 | 71% | 0.714 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 142.8 | 172.1 | 25.7 | -33.9 | 0 | 0 | 0 | 109.5 | L672 | P670-L672 PolarHBondContact O-N 2.9Š|
| 671 | S | 31 | Very low | 32 | Very low | 90 Ų | 90 | 113.1 Ų | 113.1 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 119.7 | 178 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | N673 | S671-N673 PolarHBondContact O-N 3.4Å; S671-N673 PolarHBondContact O-OD1 2.92Å; S671-N673 PolarHBondContact OG-OD1 3.21Å |
| 672 | L | 34.8 | Very low | 31.9 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 56% | 0.56 | 65% | 0.651 | S | S | * | * | trans | -84 | 63.5 | 174.6 | -73.3 | 171.9 | 0 | 0 | 0 | 109.4 | P670 L674 | P670-L672 PolarHBondContact O-N 2.9Å; L672-L674 PolarHBondContact O-N 3.46Å | ||
| 673 | N | 39.7 | Very low | 32 | Very low | 105 Ų | 105 | 121 Ų | 121 | 56% | 0.561 | 66% | 0.661 | S | S | * | * | trans | -23.1 | 97.4 | -173.1 | -65.4 | -8.4 | 0 | 0 | 0 | 113.8 | S671 L675 | S671-N673 PolarHBondContact O-N 3.4Å; S671-N673 PolarHBondContact O-OD1 2.92Å; S671-N673 PolarHBondContact OG-OD1 3.21Å; N673-L675 PolarHBondContact O-N 2.86Å | ||
| 674 | L | 39.3 | Very low | 31.6 | Very low | 32 Ų | 32 | 118 Ų | 118 | 17% | 0.168 | 66% | 0.663 | C | S | . | * | S | Bend | trans | -57.2 | -28.1 | -171.7 | -136.8 | 84.3 | 0 | 0 | 0 | 114.8 | L672 Y741 L751 E754 | L672-L674 PolarHBondContact O-N 3.46Å; L674-Y741 WeakPolarHBondContact CA-OH 3.33Å; L674-Y741 HydrophobicContact CD1-CE2 4.31Å; L674-Y741 WeakPolarHBondContact CD1-OH 3.41Å; L674-Y741 VanDerWaalsContact CG-OH 3.28Å; L674-Y741 WeakPolarHBondContact CG-OH 3.4Å; L674-L751 HydrophobicContact CD1-CD2 3.63Å; L674-E754 WeakPolarHBondContact CB-OE1 3.39Å; L674-E754 WeakPolarHBondContact CD1-OE2 3.33Å; L674-E754 PolarHBondContact N-OE1 3.46Å; L674-E754 VanDerWaalsContact N-OE1 3.11Å |
| 675 | L | 41.2 | Very low | 31.3 | Very low | 68 Ų | 68 | 125 Ų | 125 | 36% | 0.356 | 69% | 0.694 | S | S | . | * | trans | -149.2 | 112 | -176.7 | -67.5 | 173.2 | 0 | 0 | 0 | 112.1 | N673 | N673-L675 PolarHBondContact O-N 2.86Š| ||
| 676 | D | 36.5 | Very low | 31 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | trans | -93.3 | 107.8 | 158.4 | -115.2 | -14.3 | 0 | 0 | 0 | 108.1 | ||||
| 677 | S | 31.7 | Very low | 30.9 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | -167.2 | 153.2 | 168.4 | -89.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 678 | P | 31.6 | Very low | 31.3 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | trans | -84.3 | 155.3 | -161.4 | 33.4 | -37.1 | 0 | 0 | 0 | 115.1 | ||||
| 679 | E | 27.2 | Very low | 31.3 | Very low | 201 Ų | 201 | 125 Ų | 125 | 94% | 0.939 | 71% | 0.708 | S | S | * | * | trans | -57.5 | 135.1 | 175.6 | -59.8 | 177.3 | 150.3 | 0 | 0 | 113.3 | ||||
| 680 | S | 25.9 | Very low | 31.7 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | -153.4 | 139.2 | 153.5 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 681 | P | 33.4 | Very low | 31.9 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | trans | -97.1 | 127.7 | -179 | 34.4 | -30.7 | 0 | 0 | 0 | 111.9 | ||||
| 682 | Q | 27.4 | Very low | 32 | Very low | 187 Ų | 187 | 132.2 Ų | 132.2 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | trans | -143 | 144.4 | 163.4 | -73.1 | -158.3 | -16.7 | 0 | 0 | 112.8 | ||||
| 683 | D | 31.7 | Very low | 32.5 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 90% | 0.904 | 72% | 0.723 | S | S | * | * | trans | -57.9 | 143.4 | -178.9 | -70.5 | -65.6 | 0 | 0 | 0 | 113.7 | ||||
| 684 | S | 26 | Very low | 33.1 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -147.5 | 123.6 | 161.9 | -70.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 685 | Q | 25.7 | Very low | 34.4 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 94% | 0.935 | 74% | 0.741 | S | S | * | * | trans | -74.7 | 130.1 | 169.8 | -71.9 | -179.5 | -29 | 0 | 0 | 109.6 | P687 | Q685-P687 WeakPolarHBondContact O-CD 3.44Š| ||
| 686 | V | 25.6 | Very low | 35.9 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | trans | -81.8 | 125.4 | -179.5 | -177.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 687 | P | 27.5 | Very low | 37.7 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -103.7 | 109 | 164.9 | 29.5 | -15 | 0 | 0 | 0 | 110.9 | Q685 V689 | Q685-P687 WeakPolarHBondContact O-CD 3.44Å; P687-V689 PolarHBondContact O-N 3.19Å | ||
| 688 | S | 35.2 | Very low | 39.8 | Very low | 79 Ų | 79 | 132 Ų | 132 | 55% | 0.552 | 70% | 0.703 | S | S | * | * | trans | -79.1 | 91.2 | 172.1 | 58.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 689 | V | 29.3 | Very low | 41.4 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -143.1 | 146.8 | 165.7 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | P687 V691 | P687-V689 PolarHBondContact O-N 3.19Å; V689-V691 PolarHBondContact O-N 2.82Å |
| 690 | R | 36.1 | Very low | 43.3 | Very low | 246 Ų | 246 | 131 Ų | 131 | 93% | 0.928 | 70% | 0.697 | S | S | * | * | trans | -48.8 | 106.8 | 163.2 | -75.2 | 177 | 171.5 | 173.4 | -4.2 | 109.1 | E692 | R690-E692 PolarHBondContact O-N 2.94Š| ||
| 691 | V | 33.1 | Very low | 45.4 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 71% | 0.709 | 68% | 0.675 | S | S | * | * | trans | -66 | 122.3 | 175 | -175.7 | 0 | 0 | 0 | 0 | 107.3 | V689 V693 | V689-V691 PolarHBondContact O-N 2.82Å; V691-V693 HydrophobicContact CB-CG2 4.2Å; V691-V693 HydrophobicContact CG1-CG2 4.21Å; V691-V693 WeakPolarHBondContact O-CG2 3.12Å; V691-V693 PolarHBondContact O-N 3.13Å | ||
| 692 | E | 33.5 | Very low | 47.3 | Very low | 176 Ų | 176 | 127.6 Ų | 127.6 | 82% | 0.822 | 67% | 0.666 | S | S | * | * | trans | -64.9 | 89.3 | 157 | -79.4 | -168.8 | 136.5 | 0 | 0 | 106.4 | R690 H694 | R690-E692 PolarHBondContact O-N 2.94Å; E692-H694 PolarHBondContact O-N 3.3Å | ||
| 693 | V | 43.8 | Very low | 49.8 | Very low | 78 Ų | 78 | 119.4 Ų | 119.4 | 47% | 0.473 | 63% | 0.629 | S | S | . | * | trans | -64.3 | 109.7 | -173.1 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | V691 L695 M727 | V691-V693 HydrophobicContact CB-CG2 4.2Å; V691-V693 HydrophobicContact CG1-CG2 4.21Å; V691-V693 WeakPolarHBondContact O-CG2 3.12Å; V691-V693 PolarHBondContact O-N 3.13Å; V693-L695 PolarHBondContact O-N 2.89Å; V693-M727 HydrophobicContact CB-SD 4.37Å; V693-M727 HydrophobicContact CG1-CE 4.05Å; V693-M727 HydrophobicContact CG1-SD 3.7Å | ||
| 694 | H | 52.8 | Low | 52.3 | Low | 178 Ų | 178 | 113.9 Ų | 113.9 | 82% | 0.824 | 60% | 0.6 | S | S | * | * | trans | -68.5 | 80.3 | 168.8 | -76.4 | -37 | 0 | 0 | 0 | 108.8 | E692 P696 | E692-H694 PolarHBondContact O-N 3.3Å; H694-P696 WeakPolarHBondContact O-CD 3.11Å | ||
| 695 | L | 67.6 | Low | 55 | Low | 56 Ų | 56 | 110 Ų | 110 | 29% | 0.293 | 57% | 0.568 | S | S | . | * | trans | -48.6 | 122.4 | 171.7 | -74.2 | 160.1 | 0 | 0 | 0 | 108.8 | V693 R697 V703 M727 M731 | V693-L695 PolarHBondContact O-N 2.89Å; L695-R697 PolarHBondContact O-N 2.79Å; L695-V703 HydrophobicContact CB-CG1 4.42Å; L695-V703 HydrophobicContact CB-CG2 4.06Å; L695-V703 HydrophobicContact CD1-CG2 4.08Å; L695-V703 HydrophobicContact CD2-CG1 4.06Å; L695-V703 HydrophobicContact CD2-CG2 4.43Å; L695-V703 HydrophobicContact CG-CG2 4.43Å; L695-M727 HydrophobicContact CD2-SD 3.7Å; L695-M731 HydrophobicContact CD2-SD 4.29Å | ||
| 696 | P | 71.6 | Confident | 57.7 | Low | 21 Ų | 21 | 104.8 Ų | 104.8 | 14% | 0.136 | 54% | 0.544 | C | S | . | . | trans | -52 | 132.7 | 171.4 | -26.3 | 35.6 | 0 | 0 | 0 | 109.2 | H694 V703 D704 L708 | H694-P696 WeakPolarHBondContact O-CD 3.11Å; P696-V703 CarbonylContact O-C 3.56Å; P696-V703 WeakPolarHBondContact O-CA 3.38Å; P696-D704 HydrophobicContact CB-CB 4.16Å; P696-D704 PolarHBondContact O-N 3.18Å; P696-L708 HydrophobicContact CG-CD2 4Å; P696-L708 HydrophobicContact CG-CG 4.23Å | ||
| 697 | R | 74.4 | Confident | 60.4 | Low | 172 Ų | 172 | 100.1 Ų | 100.1 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | B | Isolated β-bridge | trans | -117.4 | 136.3 | 177.3 | -72.5 | -179.6 | -173.6 | -110.5 | 3.4 | 110.4 | L695 G701 E702 | L695-R697 PolarHBondContact O-N 2.79Å; R697-G701 WeakPolarHBondContact CD-O 3.44Å; R697-G701 PolarHBondContact NH1-O 3.23Å; R697-E702 CarbonylContact C-O 3.43Å; R697-E702 WeakPolarHBondContact CA-O 3.27Å |
| 698 | D | 75.4 | Confident | 63.1 | Low | 67 Ų | 67 | 94.8 Ų | 94.8 | 36% | 0.358 | 48% | 0.483 | S | S | . | . | trans | -74.1 | -178.8 | 174.9 | 77 | 5.7 | 0 | 0 | 0 | 111.5 | S700 G701 E702 D704 | D698-S700 VanDerWaalsContact CG-OG 3.31Å; D698-S700 PolarHBondContact O-N 3.35Å; D698-S700 VanDerWaalsContact O-N 3.13Å; D698-S700 VanDerWaalsContact OD1-CA 3.28Å; D698-S700 WeakPolarHBondContact OD1-CA 3.27Å; D698-S700 WeakPolarHBondContact OD1-CB 3.46Å; D698-S700 PolarHBondContact OD1-N 2.56Å; D698-S700 PolarHBondContact OD1-OG 3.01Å; D698-S700 PolarHBondContact OD2-OG 3.01Å; D698-G701 PolarHBondContact O-N 3.43Å; D698-G701 PolarHBondContact OD1-N 3.19Å; D698-E702 PolarHBondContact N-O 3.41Å; D698-E702 PolarHBondContact OD1-N 3.14Å; D698-E702 VanDerWaalsContact OD1-N 3.14Å; D698-D704 HydrophobicContact CB-CB 4.25Å | ||
| 699 | Q | 66.9 | Low | 65.5 | Low | 212 Ų | 212 | 91.5 Ų | 91.5 | 99% | 0.991 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -10.6 | -179.6 | -60.2 | 178.7 | 20.1 | 0 | 0 | 113.8 | ||
| 700 | S | 67.3 | Low | 68 | Low | 90 Ų | 90 | 88.7 Ų | 88.7 | 63% | 0.629 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -11.7 | 173.9 | 79.1 | 0 | 0 | 0 | 0 | 113.2 | D698 | D698-S700 VanDerWaalsContact CG-OG 3.31Å; D698-S700 PolarHBondContact O-N 3.35Å; D698-S700 VanDerWaalsContact O-N 3.13Å; D698-S700 VanDerWaalsContact OD1-CA 3.28Å; D698-S700 WeakPolarHBondContact OD1-CA 3.27Å; D698-S700 WeakPolarHBondContact OD1-CB 3.46Å; D698-S700 PolarHBondContact OD1-N 2.56Å; D698-S700 PolarHBondContact OD1-OG 3.01Å; D698-S700 PolarHBondContact OD2-OG 3.01Å |
| 701 | G | 69.6 | Low | 70.4 | Confident | 26 Ų | 26 | 80.4 Ų | 80.4 | 27% | 0.268 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 91 | 2.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | R697 D698 | R697-G701 WeakPolarHBondContact CD-O 3.44Å; R697-G701 PolarHBondContact NH1-O 3.23Å; D698-G701 PolarHBondContact O-N 3.43Å; D698-G701 PolarHBondContact OD1-N 3.19Å |
| 702 | E | 72.9 | Confident | 72.8 | Confident | 129 Ų | 129 | 75 Ų | 75 | 60% | 0.603 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -82 | 163.2 | 172.5 | -71.2 | -59.2 | 143.4 | 0 | 0 | 111 | R697 D698 D704 | R697-E702 CarbonylContact C-O 3.43Å; R697-E702 WeakPolarHBondContact CA-O 3.27Å; D698-E702 PolarHBondContact N-O 3.41Å; D698-E702 PolarHBondContact OD1-N 3.14Å; D698-E702 VanDerWaalsContact OD1-N 3.14Å; E702-D704 PolarHBondContact O-N 2.97Å |
| 703 | V | 79.4 | Confident | 75.1 | Confident | 15 Ų | 15 | 72.8 Ų | 72.8 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -69.5 | 126.1 | -178.1 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | L695 P696 F705 L708 M731 | L695-V703 HydrophobicContact CB-CG1 4.42Å; L695-V703 HydrophobicContact CB-CG2 4.06Å; L695-V703 HydrophobicContact CD1-CG2 4.08Å; L695-V703 HydrophobicContact CD2-CG1 4.06Å; L695-V703 HydrophobicContact CD2-CG2 4.43Å; L695-V703 HydrophobicContact CG-CG2 4.43Å; P696-V703 CarbonylContact O-C 3.56Å; P696-V703 WeakPolarHBondContact O-CA 3.38Å; V703-F705 HydrophobicContact CB-CE1 4.36Å; V703-F705 HydrophobicContact CB-CE2 4.02Å; V703-F705 HydrophobicContact CB-CZ 3.87Å; V703-F705 HydrophobicContact CG1-CD1 4.25Å; V703-F705 HydrophobicContact CG1-CE1 3.94Å; V703-F705 HydrophobicContact CG1-CE2 4.3Å; V703-F705 HydrophobicContact CG1-CZ 3.98Å; V703-F705 WeakPolarHBondContact O-CD2 3.45Å; V703-F705 WeakPolarHBondContact O-CE2 3.46Å; V703-F705 PolarHBondContact O-N 2.85Å; V703-L708 HydrophobicContact CG1-CD1 4.01Å; V703-M731 HydrophobicContact CB-CE 4.05Å; V703-M731 HydrophobicContact CG1-CE 4.29Å; V703-M731 HydrophobicContact CG1-SD 4.4Å; V703-M731 HydrophobicContact CG2-CE 3.78Å |
| 704 | D | 83.8 | Confident | 77 | Confident | 53 Ų | 53 | 76.9 Ų | 76.9 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | trans | -83.2 | 92.6 | 176.5 | -173.2 | -12.3 | 0 | 0 | 0 | 110.4 | P696 D698 E702 Q706 S707 L708 | P696-D704 HydrophobicContact CB-CB 4.16Å; P696-D704 PolarHBondContact O-N 3.18Å; D698-D704 HydrophobicContact CB-CB 4.25Å; E702-D704 PolarHBondContact O-N 2.97Å; D704-Q706 VanDerWaalsContact C-N 3.28Å; D704-Q706 PolarHBondContact O-N 3.43Å; D704-Q706 PolarHBondContact OD1-N 3.27Å; D704-S707 VanDerWaalsContact CG-CB 3.45Å; D704-S707 PolarHBondContact O-N 2.75Å; D704-S707 PolarHBondContact OD1-N 3.11Å; D704-L708 PolarHBondContact O-N 2.79Å | ||
| 705 | F | 84.1 | Confident | 78.5 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.2 | -24.6 | 178.2 | -58.9 | -81.4 | 0 | 0 | 0 | 113.4 | V703 L708 V709 L728 M731 K732 W736 | V703-F705 HydrophobicContact CB-CE1 4.36Å; V703-F705 HydrophobicContact CB-CE2 4.02Å; V703-F705 HydrophobicContact CB-CZ 3.87Å; V703-F705 HydrophobicContact CG1-CD1 4.25Å; V703-F705 HydrophobicContact CG1-CE1 3.94Å; V703-F705 HydrophobicContact CG1-CE2 4.3Å; V703-F705 HydrophobicContact CG1-CZ 3.98Å; V703-F705 WeakPolarHBondContact O-CD2 3.45Å; V703-F705 WeakPolarHBondContact O-CE2 3.46Å; V703-F705 PolarHBondContact O-N 2.85Å; F705-L708 HydrophobicContact CD1-CD1 4.37Å; F705-L708 PolarHBondContact O-N 3.21Å; F705-V709 WeakPolarHBondContact O-CG2 3.44Å; F705-V709 PolarHBondContact O-N 3.33Å; F705-L728 HydrophobicContact CD1-CD2 3.96Å; F705-M731 HydrophobicContact CE1-CB 3.73Å; F705-M731 HydrophobicContact CE1-CE 3.94Å; F705-M731 HydrophobicContact CE1-CG 4.45Å; F705-M731 HydrophobicContact CE1-SD 3.87Å; F705-M731 HydrophobicContact CZ-CB 4.24Å; F705-M731 HydrophobicContact CZ-CE 3.71Å; F705-M731 HydrophobicContact CZ-SD 4.28Å; F705-K732 HydrophobicContact CD1-CD 4.34Å; F705-K732 VanDerWaalsContact CD1-CE 3.47Å; F705-K732 HydrophobicContact CD1-CG 4Å; F705-K732 VanDerWaalsContact CD2-NZ 3.31Å; F705-K732 HydrophobicContact CE1-CD 4.24Å; F705-K732 HydrophobicContact CE1-CG 4.05Å; F705-K732 HydrophobicContact CZ-CD 4.34Å; F705-W736 HydrophobicContact CB-CH2 4.09Å; F705-W736 HydrophobicContact CB-CZ2 4.44Å |
| 706 | Q | 81.5 | Confident | 79.1 | Confident | 89 Ų | 89 | 72.1 Ų | 72.1 | 42% | 0.416 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -77.6 | -32.5 | 176.3 | -72.2 | -70.1 | 3.8 | 0 | 0 | 111 | D704 V709 S710 E739 | D704-Q706 VanDerWaalsContact C-N 3.28Å; D704-Q706 PolarHBondContact O-N 3.43Å; D704-Q706 PolarHBondContact OD1-N 3.27Å; Q706-V709 PolarHBondContact O-N 3.22Å; Q706-S710 WeakPolarHBondContact O-CB 3.46Å; Q706-S710 PolarHBondContact O-N 3.32Å; Q706-S710 PolarHBondContact O-OG 2.92Å; Q706-E739 PolarHBondContact NE2-OE2 3.38Å |
| 707 | S | 83.2 | Confident | 79.9 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 24% | 0.238 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 167.2 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | D704 S710 Q711 | D704-S707 VanDerWaalsContact CG-CB 3.45Å; D704-S707 PolarHBondContact O-N 2.75Å; D704-S707 PolarHBondContact OD1-N 3.11Å; S707-S710 WeakPolarHBondContact O-CB 3.45Å; S707-S710 PolarHBondContact O-N 3.33Å; S707-Q711 WeakPolarHBondContact O-CG 3.43Å; S707-Q711 PolarHBondContact O-N 3.12Å |
| 708 | L | 84.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 173.5 | -72.3 | 173.6 | 0 | 0 | 0 | 112.7 | P696 V703 D704 F705 S710 Q711 L712 I724 M727 L728 | P696-L708 HydrophobicContact CG-CD2 4Å; P696-L708 HydrophobicContact CG-CG 4.23Å; V703-L708 HydrophobicContact CG1-CD1 4.01Å; D704-L708 PolarHBondContact O-N 2.79Å; F705-L708 HydrophobicContact CD1-CD1 4.37Å; F705-L708 PolarHBondContact O-N 3.21Å; L708-S710 VanDerWaalsContact C-N 3.3Å; L708-S710 PolarHBondContact O-N 3.12Å; L708-Q711 PolarHBondContact O-N 2.91Å; L708-L712 PolarHBondContact O-N 3.48Å; L708-I724 HydrophobicContact CB-CG2 4.3Å; L708-M727 HydrophobicContact CD2-CE 3.9Å; L708-L728 HydrophobicContact CB-CD2 4.24Å; L708-L728 HydrophobicContact CD1-CD2 4.23Å |
| 709 | V | 84.6 | Confident | 81 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | 174 | 169 | 0 | 0 | 0 | 0 | 111.7 | F705 Q706 L712 K713 L728 W736 T738 L740 | F705-V709 WeakPolarHBondContact O-CG2 3.44Å; F705-V709 PolarHBondContact O-N 3.33Å; Q706-V709 PolarHBondContact O-N 3.22Å; V709-L712 WeakPolarHBondContact O-CB 3.45Å; V709-L712 PolarHBondContact O-N 3.38Å; V709-K713 PolarHBondContact O-N 3.31Å; V709-L728 HydrophobicContact CG2-CD1 4.18Å; V709-W736 HydrophobicContact CG2-CH2 4.07Å; V709-W736 HydrophobicContact CG2-CZ3 4Å; V709-T738 HydrophobicContact CG2-CG2 4.49Å; V709-L740 HydrophobicContact CG1-CB 4.46Å; V709-L740 HydrophobicContact CG1-CD1 4.03Å; V709-L740 HydrophobicContact CG1-CG 3.94Å |
| 710 | S | 83.1 | Confident | 81.9 | Confident | 60 Ų | 60 | 62.1 Ų | 62.1 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 174.4 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | Q706 S707 L708 L712 K713 E714 | Q706-S710 WeakPolarHBondContact O-CB 3.46Å; Q706-S710 PolarHBondContact O-N 3.32Å; Q706-S710 PolarHBondContact O-OG 2.92Å; S707-S710 WeakPolarHBondContact O-CB 3.45Å; S707-S710 PolarHBondContact O-N 3.33Å; L708-S710 VanDerWaalsContact C-N 3.3Å; L708-S710 PolarHBondContact O-N 3.12Å; S710-L712 VanDerWaalsContact C-N 3.32Å; S710-L712 PolarHBondContact O-N 2.87Å; S710-K713 WeakPolarHBondContact O-CB 3.37Å; S710-K713 PolarHBondContact O-N 3.46Å; S710-K713 VanDerWaalsContact O-N 3.1Å; S710-E714 PolarHBondContact O-N 3.07Å; S710-E714 VanDerWaalsContact O-N 3.08Å |
| 711 | Q | 84.6 | Confident | 83 | Confident | 72 Ų | 72 | 58 Ų | 58 | 34% | 0.336 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 174.8 | -72.6 | 173.1 | 0.3 | 0 | 0 | 112.3 | S707 L708 K713 E714 T715 I724 | S707-Q711 WeakPolarHBondContact O-CG 3.43Å; S707-Q711 PolarHBondContact O-N 3.12Å; L708-Q711 PolarHBondContact O-N 2.91Å; Q711-K713 PolarHBondContact O-N 2.92Å; Q711-E714 PolarHBondContact O-N 3.12Å; Q711-T715 WeakPolarHBondContact O-CB 3.19Å; Q711-T715 PolarHBondContact O-N 3.4Å; Q711-T715 PolarHBondContact O-OG1 3Å; Q711-I724 HydrophobicContact CB-CD1 3.96Å |
| 712 | L | 84.5 | Confident | 83.9 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.6 | -32.9 | 175.1 | -176.6 | 63.4 | 0 | 0 | 0 | 112.2 | L708 V709 S710 Q721 I724 L725 L740 L751 | L708-L712 PolarHBondContact O-N 3.48Å; V709-L712 WeakPolarHBondContact O-CB 3.45Å; V709-L712 PolarHBondContact O-N 3.38Å; S710-L712 VanDerWaalsContact C-N 3.32Å; S710-L712 PolarHBondContact O-N 2.87Å; L712-Q721 HydrophobicContact CD1-CB 3.84Å; L712-Q721 HydrophobicContact CD1-CG 3.95Å; L712-I724 HydrophobicContact CB-CG2 4.02Å; L712-I724 HydrophobicContact CD1-CB 4.36Å; L712-I724 HydrophobicContact CD1-CG2 4.36Å; L712-L725 HydrophobicContact CD1-CD1 4.38Å; L712-L725 HydrophobicContact CD1-CG 4.04Å; L712-L725 HydrophobicContact CD2-CD2 3.7Å; L712-L725 HydrophobicContact CD2-CG 4.07Å; L712-L740 HydrophobicContact CD2-CD1 3.82Å; L712-L740 HydrophobicContact CG-CD1 4.42Å; L712-L751 HydrophobicContact CD2-CD1 4.13Å |
| 713 | K | 81.4 | Confident | 84.6 | Confident | 131 Ų | 131 | 53.3 Ų | 53.3 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -81.3 | -29.8 | 178.9 | -170.6 | 172.7 | -176.1 | 166.8 | 0 | 113.5 | V709 S710 Q711 L740 | V709-K713 PolarHBondContact O-N 3.31Å; S710-K713 WeakPolarHBondContact O-CB 3.37Å; S710-K713 PolarHBondContact O-N 3.46Å; S710-K713 VanDerWaalsContact O-N 3.1Å; Q711-K713 PolarHBondContact O-N 2.92Å; K713-L740 HydrophobicContact CB-CD2 4.49Å; K713-L740 HydrophobicContact CD-CD2 4.24Å; K713-L740 HydrophobicContact CG-CD2 4.43Å |
| 714 | E | 83.4 | Confident | 85 | Confident | 164 Ų | 164 | 53.1 Ų | 53.1 | 77% | 0.766 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -85.2 | -27.2 | 179.1 | -69.7 | 178.8 | 177.2 | 0 | 0 | 113.1 | S710 Q711 | S710-E714 PolarHBondContact O-N 3.07Å; S710-E714 VanDerWaalsContact O-N 3.08Å; Q711-E714 PolarHBondContact O-N 3.12Å |
| 715 | T | 84.8 | Confident | 85.3 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 13% | 0.129 | 27% | 0.268 | C | S | . | . | trans | -73.2 | 128.9 | -176.1 | -73.4 | 0 | 0 | 0 | 0 | 113 | Q711 S717 E720 Q721 | Q711-T715 WeakPolarHBondContact O-CB 3.19Å; Q711-T715 PolarHBondContact O-N 3.4Å; Q711-T715 PolarHBondContact O-OG1 3Å; T715-S717 VanDerWaalsContact CG2-O 3.3Å; T715-S717 WeakPolarHBondContact CG2-O 3.33Å; T715-E720 HydrophobicContact CG2-CB 3.49Å; T715-E720 VanDerWaalsContact CG2-CB 3.49Å; T715-E720 WeakPolarHBondContact CG2-OE2 3.14Å; T715-Q721 HydrophobicContact CG2-CG 3.81Å; T715-Q721 PolarHBondContact O-NE2 2.76Å | ||
| 716 | S | 81.1 | Confident | 85.5 | Confident | 112 Ų | 112 | 52.8 Ų | 52.8 | 78% | 0.783 | 28% | 0.275 | S | S | * | . | trans | -92.9 | -16.2 | 170.2 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | L718 | S716-L718 PolarHBondContact O-N 2.7Š| ||
| 717 | S | 87.8 | Confident | 85.8 | Confident | 44 Ų | 44 | 50.1 Ų | 50.1 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | trans | -77.8 | 117.7 | -179.6 | 175.5 | 0 | 0 | 0 | 0 | 112 | T715 Q719 E720 Q721 | T715-S717 VanDerWaalsContact CG2-O 3.3Å; T715-S717 WeakPolarHBondContact CG2-O 3.33Å; S717-Q719 PolarHBondContact O-N 2.97Å; S717-E720 WeakPolarHBondContact CB-OE2 3.31Å; S717-E720 PolarHBondContact O-N 3.37Å; S717-E720 PolarHBondContact OG-N 3Å; S717-Q721 WeakPolarHBondContact O-CG 3.22Å; S717-Q721 PolarHBondContact O-N 2.68Å | ||
| 718 | L | 87.9 | Confident | 86.1 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -26.6 | 178.1 | -59.8 | 172.8 | 0 | 0 | 0 | 112.8 | S716 A722 L755 K758 V759 I762 L767 | S716-L718 PolarHBondContact O-N 2.7Å; L718-A722 WeakPolarHBondContact O-CB 3.38Å; L718-A722 PolarHBondContact O-N 3.27Å; L718-A722 VanDerWaalsContact O-N 3.08Å; L718-L755 HydrophobicContact CB-CD1 4.48Å; L718-L755 HydrophobicContact CD2-CD1 3.74Å; L718-K758 HydrophobicContact CD2-CD 4.04Å; L718-V759 HydrophobicContact CB-CG2 4.3Å; L718-V759 HydrophobicContact CD1-CG2 4.22Å; L718-I762 HydrophobicContact CD1-CD1 3.38Å; L718-L767 HydrophobicContact CB-CD1 4.11Å |
| 719 | Q | 85.3 | Confident | 86.3 | Confident | 82 Ų | 82 | 50.7 Ų | 50.7 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.8 | -49.7 | 174.5 | 178.8 | 64 | 61.7 | 0 | 0 | 111 | S717 Q721 A722 D723 L767 | S717-Q719 PolarHBondContact O-N 2.97Å; Q719-Q721 VanDerWaalsContact C-N 3.32Å; Q719-Q721 PolarHBondContact O-N 3.39Å; Q719-A722 WeakPolarHBondContact O-CB 3.5Å; Q719-A722 PolarHBondContact O-N 2.78Å; Q719-A722 VanDerWaalsContact O-N 3.14Å; Q719-D723 PolarHBondContact NE2-OD1 3.08Å; Q719-D723 PolarHBondContact NE2-OD2 3.33Å; Q719-D723 PolarHBondContact O-N 2.83Å; Q719-L767 HydrophobicContact CB-CD1 4.47Å; Q719-L767 HydrophobicContact CB-CD2 4.47Å; Q719-L767 VanDerWaalsContact OE1-CD2 3.26Å |
| 720 | E | 85.9 | Confident | 86.4 | Confident | 103 Ų | 103 | 54.3 Ų | 54.3 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 177 | -69.8 | 172.5 | 173.2 | 0 | 0 | 111.6 | T715 S717 A722 D723 I724 | T715-E720 HydrophobicContact CG2-CB 3.49Å; T715-E720 VanDerWaalsContact CG2-CB 3.49Å; T715-E720 WeakPolarHBondContact CG2-OE2 3.14Å; S717-E720 WeakPolarHBondContact CB-OE2 3.31Å; S717-E720 PolarHBondContact O-N 3.37Å; S717-E720 PolarHBondContact OG-N 3Å; E720-A722 PolarHBondContact O-N 3.08Å; E720-D723 PolarHBondContact O-N 2.84Å; E720-I724 WeakPolarHBondContact O-CB 3.5Å; E720-I724 VanDerWaalsContact O-CG1 3.25Å; E720-I724 WeakPolarHBondContact O-CG1 3.43Å; E720-I724 PolarHBondContact O-N 3.28Å |
| 721 | Q | 89.4 | Confident | 86.6 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 172.2 | -67.5 | -180 | -3.4 | 0 | 0 | 111.8 | L712 T715 S717 Q719 L725 L755 | L712-Q721 HydrophobicContact CD1-CB 3.84Å; L712-Q721 HydrophobicContact CD1-CG 3.95Å; T715-Q721 HydrophobicContact CG2-CG 3.81Å; T715-Q721 PolarHBondContact O-NE2 2.76Å; S717-Q721 WeakPolarHBondContact O-CG 3.22Å; S717-Q721 PolarHBondContact O-N 2.68Å; Q719-Q721 VanDerWaalsContact C-N 3.32Å; Q719-Q721 PolarHBondContact O-N 3.39Å; Q721-L725 WeakPolarHBondContact O-CB 3.49Å; Q721-L725 VanDerWaalsContact O-CG 3.28Å; Q721-L725 WeakPolarHBondContact O-CG 3.38Å; Q721-L725 PolarHBondContact O-N 2.94Å; Q721-L755 HydrophobicContact CB-CD1 4.35Å; Q721-L755 HydrophobicContact CB-CD2 4.03Å |
| 722 | A | 88.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L718 Q719 E720 L725 Y726 L755 L767 Y770 I771 | L718-A722 WeakPolarHBondContact O-CB 3.38Å; L718-A722 PolarHBondContact O-N 3.27Å; L718-A722 VanDerWaalsContact O-N 3.08Å; Q719-A722 WeakPolarHBondContact O-CB 3.5Å; Q719-A722 PolarHBondContact O-N 2.78Å; Q719-A722 VanDerWaalsContact O-N 3.14Å; E720-A722 PolarHBondContact O-N 3.08Å; A722-L725 PolarHBondContact O-N 3.12Å; A722-Y726 WeakPolarHBondContact O-CB 3.48Å; A722-Y726 PolarHBondContact O-N 3.35Å; A722-L755 HydrophobicContact CB-CD2 3.92Å; A722-L767 HydrophobicContact CB-CD2 3.96Å; A722-Y770 HydrophobicContact CB-CD1 4.14Å; A722-Y770 HydrophobicContact CB-CE1 4.17Å; A722-I771 HydrophobicContact CB-CD1 4.36Å; A722-I771 HydrophobicContact CB-CG1 4.16Å |
| 723 | D | 86.9 | Confident | 87.1 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 31% | 0.31 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69 | -39.7 | -179.9 | -67.4 | -36.4 | 0 | 0 | 0 | 112.1 | Q719 E720 Y726 M727 Y770 | Q719-D723 PolarHBondContact NE2-OD1 3.08Å; Q719-D723 PolarHBondContact NE2-OD2 3.33Å; Q719-D723 PolarHBondContact O-N 2.83Å; E720-D723 PolarHBondContact O-N 2.84Å; D723-Y726 PolarHBondContact O-N 2.88Å; D723-M727 WeakPolarHBondContact O-CG 3.49Å; D723-M727 PolarHBondContact O-N 3.43Å; D723-Y770 WeakPolarHBondContact OD1-CE1 3.33Å; D723-Y770 PolarHBondContact OD1-OH 3.49Å |
| 724 | I | 88.4 | Confident | 87.4 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 173.1 | -66.5 | 163.8 | 0 | 0 | 0 | 110.6 | L708 Q711 L712 E720 Y726 M727 L728 | L708-I724 HydrophobicContact CB-CG2 4.3Å; Q711-I724 HydrophobicContact CB-CD1 3.96Å; L712-I724 HydrophobicContact CB-CG2 4.02Å; L712-I724 HydrophobicContact CD1-CB 4.36Å; L712-I724 HydrophobicContact CD1-CG2 4.36Å; E720-I724 WeakPolarHBondContact O-CB 3.5Å; E720-I724 VanDerWaalsContact O-CG1 3.25Å; E720-I724 WeakPolarHBondContact O-CG1 3.43Å; E720-I724 PolarHBondContact O-N 3.28Å; I724-Y726 VanDerWaalsContact C-N 3.29Å; I724-Y726 PolarHBondContact O-N 3.44Å; I724-M727 HydrophobicContact CB-CE 4.45Å; I724-M727 HydrophobicContact CG1-CE 4.12Å; I724-M727 PolarHBondContact O-N 3.36Å; I724-L728 HydrophobicContact CG2-CD1 4.26Å; I724-L728 WeakPolarHBondContact O-CG 3.29Å; I724-L728 PolarHBondContact O-N 3.45Å |
| 725 | L | 89.9 | Confident | 87.8 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -33.8 | 177 | -73.4 | 169.7 | 0 | 0 | 0 | 112.4 | L712 Q721 A722 L728 Y729 V748 L751 L752 L755 | L712-L725 HydrophobicContact CD1-CD1 4.38Å; L712-L725 HydrophobicContact CD1-CG 4.04Å; L712-L725 HydrophobicContact CD2-CD2 3.7Å; L712-L725 HydrophobicContact CD2-CG 4.07Å; Q721-L725 WeakPolarHBondContact O-CB 3.49Å; Q721-L725 VanDerWaalsContact O-CG 3.28Å; Q721-L725 WeakPolarHBondContact O-CG 3.38Å; Q721-L725 PolarHBondContact O-N 2.94Å; A722-L725 PolarHBondContact O-N 3.12Å; L725-L728 PolarHBondContact O-N 3Å; L725-Y729 WeakPolarHBondContact O-CB 3.29Å; L725-Y729 PolarHBondContact O-N 2.82Å; L725-V748 HydrophobicContact CD2-CG1 4.16Å; L725-L751 HydrophobicContact CD1-CB 4.15Å; L725-L751 HydrophobicContact CD2-CB 3.69Å; L725-L751 HydrophobicContact CD2-CD1 3.9Å; L725-L751 HydrophobicContact CD2-CG 4.48Å; L725-L752 HydrophobicContact CB-CD2 3.59Å; L725-L752 HydrophobicContact CB-CG 3.92Å; L725-L752 HydrophobicContact CD1-CD2 4.03Å; L725-L752 HydrophobicContact CD1-CG 4.19Å; L725-L752 HydrophobicContact CG-CD2 4.41Å; L725-L752 HydrophobicContact CG-CG 4.49Å; L725-L755 HydrophobicContact CD1-CB 4.47Å; L725-L755 HydrophobicContact CD1-CD2 3.9Å |
| 726 | Y | 88.4 | Confident | 88.1 | Confident | 77 Ų | 77 | 51.7 Ų | 51.7 | 30% | 0.302 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 172.8 | 176.9 | -116.1 | 0 | 0 | 0 | 112.5 | A722 D723 I724 Y729 T730 Y770 I774 | A722-Y726 WeakPolarHBondContact O-CB 3.48Å; A722-Y726 PolarHBondContact O-N 3.35Å; D723-Y726 PolarHBondContact O-N 2.88Å; I724-Y726 VanDerWaalsContact C-N 3.29Å; I724-Y726 PolarHBondContact O-N 3.44Å; Y726-Y729 PolarHBondContact O-N 3.28Å; Y726-T730 WeakPolarHBondContact CE2-OG1 3.3Å; Y726-T730 WeakPolarHBondContact O-CB 3.37Å; Y726-T730 PolarHBondContact O-N 3.41Å; Y726-T730 PolarHBondContact O-OG1 3.24Å; Y726-Y770 WeakPolarHBondContact CD1-OH 3.34Å; Y726-Y770 VanDerWaalsContact CG-OH 3.28Å; Y726-I774 HydrophobicContact CD2-CD1 3.81Å; Y726-I774 HydrophobicContact CD2-CG1 3.77Å; Y726-I774 HydrophobicContact CD2-CG2 4.38Å; Y726-I774 HydrophobicContact CE2-CG1 4.42Å; Y726-I774 HydrophobicContact CG-CD1 4.15Å |
| 727 | M | 87.3 | Confident | 88.3 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 16% | 0.158 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 173.6 | -71.5 | -172.3 | -72.3 | 0 | 0 | 111.4 | V693 L695 L708 D723 I724 Y729 T730 M731 | V693-M727 HydrophobicContact CB-SD 4.37Å; V693-M727 HydrophobicContact CG1-CE 4.05Å; V693-M727 HydrophobicContact CG1-SD 3.7Å; L695-M727 HydrophobicContact CD2-SD 3.7Å; L708-M727 HydrophobicContact CD2-CE 3.9Å; D723-M727 WeakPolarHBondContact O-CG 3.49Å; D723-M727 PolarHBondContact O-N 3.43Å; I724-M727 HydrophobicContact CB-CE 4.45Å; I724-M727 HydrophobicContact CG1-CE 4.12Å; I724-M727 PolarHBondContact O-N 3.36Å; M727-Y729 PolarHBondContact O-N 2.84Å; M727-T730 PolarHBondContact O-N 2.9Å; M727-M731 WeakPolarHBondContact O-CB 3.45Å; M727-M731 WeakPolarHBondContact O-CG 3.4Å; M727-M731 PolarHBondContact O-N 3.32Å |
| 728 | L | 89.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 176.7 | -66.7 | 177.4 | 0 | 0 | 0 | 111.5 | F705 L708 V709 I724 L725 T730 M731 K732 W736 V748 | F705-L728 HydrophobicContact CD1-CD2 3.96Å; L708-L728 HydrophobicContact CB-CD2 4.24Å; L708-L728 HydrophobicContact CD1-CD2 4.23Å; V709-L728 HydrophobicContact CG2-CD1 4.18Å; I724-L728 HydrophobicContact CG2-CD1 4.26Å; I724-L728 WeakPolarHBondContact O-CG 3.29Å; I724-L728 PolarHBondContact O-N 3.45Å; L725-L728 PolarHBondContact O-N 3Å; L728-T730 PolarHBondContact O-N 2.79Å; L728-M731 PolarHBondContact O-N 3.05Å; L728-K732 WeakPolarHBondContact O-CA 3.27Å; L728-K732 WeakPolarHBondContact O-CB 3.41Å; L728-K732 PolarHBondContact O-N 3Å; L728-W736 HydrophobicContact CD1-CZ3 4.29Å; L728-W736 HydrophobicContact CD2-CE3 4.44Å; L728-W736 HydrophobicContact CD2-CZ3 3.85Å; L728-V748 HydrophobicContact CB-CG1 4.24Å; L728-V748 HydrophobicContact CB-CG2 3.9Å |
| 729 | Y | 89.4 | Confident | 87.9 | Confident | 48 Ų | 48 | 52.2 Ų | 52.2 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 175.9 | 179.5 | -82 | 0 | 0 | 0 | 111.8 | L725 Y726 M727 G733 P734 L752 I774 | L725-Y729 WeakPolarHBondContact O-CB 3.29Å; L725-Y729 PolarHBondContact O-N 2.82Å; Y726-Y729 PolarHBondContact O-N 3.28Å; M727-Y729 PolarHBondContact O-N 2.84Å; Y729-G733 WeakPolarHBondContact O-CA 3.32Å; Y729-G733 PolarHBondContact O-N 2.78Å; Y729-P734 HydrophobicContact CD2-CB 3.93Å; Y729-P734 HydrophobicContact CE2-CB 3.65Å; Y729-P734 HydrophobicContact CE2-CG 4.13Å; Y729-L752 HydrophobicContact CD2-CD1 3.89Å; Y729-L752 HydrophobicContact CG-CD1 4.48Å; Y729-I774 HydrophobicContact CD1-CG2 4.02Å; Y729-I774 HydrophobicContact CD2-CG2 3.84Å; Y729-I774 HydrophobicContact CE1-CG2 4.34Å; Y729-I774 HydrophobicContact CE2-CG2 4.15Å; Y729-I774 HydrophobicContact CG-CG2 3.78Å; Y729-I774 PolarHBondContact OH-O 3.07Å |
| 730 | T | 85.9 | Confident | 87.4 | Confident | 85 Ų | 85 | 49.2 Ų | 49.2 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.4 | -35.5 | -176.6 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | Y726 M727 L728 | Y726-T730 WeakPolarHBondContact CE2-OG1 3.3Å; Y726-T730 WeakPolarHBondContact O-CB 3.37Å; Y726-T730 PolarHBondContact O-N 3.41Å; Y726-T730 PolarHBondContact O-OG1 3.24Å; M727-T730 PolarHBondContact O-N 2.9Å; L728-T730 PolarHBondContact O-N 2.79Å |
| 731 | M | 87.4 | Confident | 86.6 | Confident | 87 Ų | 87 | 47.3 Ų | 47.3 | 43% | 0.429 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -94.8 | -27.6 | -174.2 | -64.9 | -172.7 | 77.5 | 0 | 0 | 114.8 | L695 V703 F705 M727 L728 | L695-M731 HydrophobicContact CD2-SD 4.29Å; V703-M731 HydrophobicContact CB-CE 4.05Å; V703-M731 HydrophobicContact CG1-CE 4.29Å; V703-M731 HydrophobicContact CG1-SD 4.4Å; V703-M731 HydrophobicContact CG2-CE 3.78Å; F705-M731 HydrophobicContact CE1-CB 3.73Å; F705-M731 HydrophobicContact CE1-CE 3.94Å; F705-M731 HydrophobicContact CE1-CG 4.45Å; F705-M731 HydrophobicContact CE1-SD 3.87Å; F705-M731 HydrophobicContact CZ-CB 4.24Å; F705-M731 HydrophobicContact CZ-CE 3.71Å; F705-M731 HydrophobicContact CZ-SD 4.28Å; M727-M731 WeakPolarHBondContact O-CB 3.45Å; M727-M731 WeakPolarHBondContact O-CG 3.4Å; M727-M731 PolarHBondContact O-N 3.32Å; L728-M731 PolarHBondContact O-N 3.05Å |
| 732 | K | 90.6 | Very high | 84.9 | Confident | 90 Ų | 90 | 57.1 Ų | 57.1 | 39% | 0.391 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -117.8 | -19.5 | -178.6 | -63.1 | -64 | -168.4 | -170.5 | 0 | 114.2 | F705 L728 W736 | F705-K732 HydrophobicContact CD1-CD 4.34Å; F705-K732 VanDerWaalsContact CD1-CE 3.47Å; F705-K732 HydrophobicContact CD1-CG 4Å; F705-K732 VanDerWaalsContact CD2-NZ 3.31Å; F705-K732 HydrophobicContact CE1-CD 4.24Å; F705-K732 HydrophobicContact CE1-CG 4.05Å; F705-K732 HydrophobicContact CZ-CD 4.34Å; L728-K732 WeakPolarHBondContact O-CA 3.27Å; L728-K732 WeakPolarHBondContact O-CB 3.41Å; L728-K732 PolarHBondContact O-N 3Å; K732-W736 HydrophobicContact CB-CB 3.64Å; K732-W736 HydrophobicContact CB-CD2 3.76Å; K732-W736 HydrophobicContact CB-CE3 4.19Å; K732-W736 HydrophobicContact CB-CG 3.5Å; K732-W736 VanDerWaalsContact CB-CG 3.5Å; K732-W736 HydrophobicContact CD-CD2 4.44Å; K732-W736 HydrophobicContact CD-CG 4.48Å; K732-W736 HydrophobicContact CG-CD2 3.79Å; K732-W736 HydrophobicContact CG-CE3 4.13Å; K732-W736 HydrophobicContact CG-CG 4Å |
| 733 | G | 88.9 | Confident | 83.1 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 22% | 0.216 | 32% | 0.323 | C | S | . | . | trans | 92.1 | 163.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y729 D735 W736 | Y729-G733 WeakPolarHBondContact O-CA 3.32Å; Y729-G733 PolarHBondContact O-N 2.78Å; G733-D735 VanDerWaalsContact C-N 3.33Å; G733-D735 PolarHBondContact O-N 2.98Å; G733-W736 PolarHBondContact O-N 3Å | ||
| 734 | P | 88.8 | Confident | 81.8 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -35.6 | -175 | 20.3 | -31.6 | 0 | 0 | 0 | 114.3 | Y729 W736 V748 R749 | Y729-P734 HydrophobicContact CD2-CB 3.93Å; Y729-P734 HydrophobicContact CE2-CB 3.65Å; Y729-P734 HydrophobicContact CE2-CG 4.13Å; P734-W736 VanDerWaalsContact C-N 3.3Å; P734-W736 PolarHBondContact O-N 3.18Å; P734-V748 PolarHBondContact O-N 3.01Å; P734-R749 HydrophobicContact CB-CB 4.13Å; P734-R749 WeakPolarHBondContact O-CB 3.49Å; P734-R749 PolarHBondContact O-N 3.31Å |
| 735 | D | 91.1 | Very high | 80.7 | Confident | 105 Ų | 105 | 67.4 Ų | 67.4 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 13.6 | -169.6 | -45.1 | -48.1 | 0 | 0 | 0 | 111.6 | G733 R749 | G733-D735 VanDerWaalsContact C-N 3.33Å; G733-D735 PolarHBondContact O-N 2.98Å; D735-R749 IonicContact OD1-CZ 3.62Å; D735-R749 VanDerWaalsContact OD1-CZ 3.26Å; D735-R749 IonicContact OD1-NE 3.27Å; D735-R749 PolarHBondContact OD1-NE 2.99Å; D735-R749 IonicContact OD1-NH2 2.77Å; D735-R749 PolarHBondContact OD1-NH2 3.26Å; D735-R749 IonicContact OD2-NH2 3.8Å; D735-R749 PolarHBondContact OD2-NH2 3.11Å |
| 736 | W | 91 | Very high | 80.5 | Confident | 66 Ų | 66 | 68 Ų | 68 | 25% | 0.25 | 35% | 0.354 | C | S | . | . | trans | -70.7 | 128.8 | 172.7 | -176.1 | 67.5 | 0 | 0 | 0 | 110.5 | F705 V709 L728 K732 G733 P734 T738 T747 V748 | F705-W736 HydrophobicContact CB-CH2 4.09Å; F705-W736 HydrophobicContact CB-CZ2 4.44Å; V709-W736 HydrophobicContact CG2-CH2 4.07Å; V709-W736 HydrophobicContact CG2-CZ3 4Å; L728-W736 HydrophobicContact CD1-CZ3 4.29Å; L728-W736 HydrophobicContact CD2-CE3 4.44Å; L728-W736 HydrophobicContact CD2-CZ3 3.85Å; K732-W736 HydrophobicContact CB-CB 3.64Å; K732-W736 HydrophobicContact CB-CD2 3.76Å; K732-W736 HydrophobicContact CB-CE3 4.19Å; K732-W736 HydrophobicContact CB-CG 3.5Å; K732-W736 VanDerWaalsContact CB-CG 3.5Å; K732-W736 HydrophobicContact CD-CD2 4.44Å; K732-W736 HydrophobicContact CD-CG 4.48Å; K732-W736 HydrophobicContact CG-CD2 3.79Å; K732-W736 HydrophobicContact CG-CE3 4.13Å; K732-W736 HydrophobicContact CG-CG 4Å; G733-W736 PolarHBondContact O-N 3Å; P734-W736 VanDerWaalsContact C-N 3.3Å; P734-W736 PolarHBondContact O-N 3.18Å; W736-T738 HydrophobicContact CE3-CG2 3.95Å; W736-T738 HydrophobicContact CZ3-CG2 3.85Å; W736-T747 CarbonylContact O-C 3.51Å; W736-T747 VanDerWaalsContact O-CA 3.25Å; W736-T747 WeakPolarHBondContact O-CA 3.43Å; W736-V748 HydrophobicContact CB-CG2 4.3Å; W736-V748 HydrophobicContact CE3-CG2 3.85Å; W736-V748 PolarHBondContact O-N 2.96Å | ||
| 737 | N | 86.5 | Confident | 80.6 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 34% | 0.342 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -77.9 | 128.1 | 176 | -165.3 | -29.6 | 0 | 0 | 0 | 109.7 | E739 G745 S746 | N737-E739 PolarHBondContact OD1-N 3.38Å; N737-G745 PolarHBondContact ND2-O 3.48Å; N737-G745 VanDerWaalsContact OD1-CA 3.29Å; N737-G745 WeakPolarHBondContact OD1-CA 3.16Å; N737-G745 PolarHBondContact OD1-O 2.84Å; N737-S746 PolarHBondContact OD1-O 3.15Å |
| 738 | T | 83.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -89.3 | -10.2 | -178.7 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | V709 W736 L740 S746 V748 L751 | V709-T738 HydrophobicContact CG2-CG2 4.49Å; W736-T738 HydrophobicContact CE3-CG2 3.95Å; W736-T738 HydrophobicContact CZ3-CG2 3.85Å; T738-L740 PolarHBondContact O-N 3.06Å; T738-S746 PolarHBondContact N-O 3.11Å; T738-S746 PolarHBondContact OG1-O 2.97Å; T738-V748 HydrophobicContact CG2-CG2 3.84Å; T738-L751 HydrophobicContact CG2-CD1 3.61Å | ||
| 739 | E | 82.2 | Confident | 80.8 | Confident | 137 Ų | 137 | 69 Ų | 69 | 64% | 0.64 | 36% | 0.359 | S | S | * | . | trans | 57.5 | 16.7 | -177.9 | -57 | 177.9 | 158.8 | 0 | 0 | 114.3 | Q706 N737 Y741 | Q706-E739 PolarHBondContact NE2-OE2 3.38Å; N737-E739 PolarHBondContact OD1-N 3.38Å; E739-Y741 PolarHBondContact O-N 2.84Å; E739-Y741 VanDerWaalsContact O-N 3.15Å | ||
| 740 | L | 74.5 | Confident | 80.7 | Confident | 20 Ų | 20 | 70.4 Ų | 70.4 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | trans | -65.4 | -20.6 | -172.7 | -139.2 | 156 | 0 | 0 | 0 | 113.6 | V709 L712 K713 T738 L751 | V709-L740 HydrophobicContact CG1-CB 4.46Å; V709-L740 HydrophobicContact CG1-CD1 4.03Å; V709-L740 HydrophobicContact CG1-CG 3.94Å; L712-L740 HydrophobicContact CD2-CD1 3.82Å; L712-L740 HydrophobicContact CG-CD1 4.42Å; K713-L740 HydrophobicContact CB-CD2 4.49Å; K713-L740 HydrophobicContact CD-CD2 4.24Å; K713-L740 HydrophobicContact CG-CD2 4.43Å; T738-L740 PolarHBondContact O-N 3.06Å; L740-L751 HydrophobicContact CD1-CD1 4.04Å | ||
| 741 | Y | 70.8 | Confident | 81 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -128.5 | 132.7 | -179.9 | -60 | -80.4 | 0 | 0 | 0 | 111.4 | L674 E739 E743 G745 S746 L751 | L674-Y741 WeakPolarHBondContact CA-OH 3.33Å; L674-Y741 HydrophobicContact CD1-CE2 4.31Å; L674-Y741 WeakPolarHBondContact CD1-OH 3.41Å; L674-Y741 VanDerWaalsContact CG-OH 3.28Å; L674-Y741 WeakPolarHBondContact CG-OH 3.4Å; E739-Y741 PolarHBondContact O-N 2.84Å; E739-Y741 VanDerWaalsContact O-N 3.15Å; Y741-E743 VanDerWaalsContact C-N 3.31Å; Y741-E743 PolarHBondContact O-N 3.48Å; Y741-G745 PolarHBondContact O-N 3.07Å; Y741-S746 VanDerWaalsContact CD2-OG 3.28Å; Y741-S746 WeakPolarHBondContact CD2-OG 3.42Å; Y741-L751 HydrophobicContact CE2-CD2 4.29Å |
| 742 | E | 53.1 | Low | 81.1 | Confident | 208 Ų | 208 | 62.3 Ų | 62.3 | 97% | 0.972 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -27.4 | -174.4 | -61.1 | -175.5 | 173.1 | 0 | 0 | 113.4 | ||
| 743 | E | 51.5 | Low | 81 | Confident | 195 Ų | 195 | 60.4 Ų | 60.4 | 91% | 0.911 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 90 | 173.5 | -68.5 | -167.3 | 155.1 | 0 | 0 | 111.4 | Y741 | Y741-E743 VanDerWaalsContact C-N 3.31Å; Y741-E743 PolarHBondContact O-N 3.48Å |
| 744 | G | 58 | Low | 81 | Confident | 76 Ų | 76 | 61.6 Ų | 61.6 | 78% | 0.784 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.5 | -25.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 745 | G | 67.3 | Low | 81 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | trans | 63.2 | 106.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N737 Y741 | N737-G745 PolarHBondContact ND2-O 3.48Å; N737-G745 VanDerWaalsContact OD1-CA 3.29Å; N737-G745 WeakPolarHBondContact OD1-CA 3.16Å; N737-G745 PolarHBondContact OD1-O 2.84Å; Y741-G745 PolarHBondContact O-N 3.07Å | ||
| 746 | S | 84.7 | Confident | 81 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 11% | 0.112 | 29% | 0.29 | C | S | . | . | trans | -75.5 | 139.3 | -176.6 | -57 | 0 | 0 | 0 | 0 | 113.5 | N737 T738 Y741 | N737-S746 PolarHBondContact OD1-O 3.15Å; T738-S746 PolarHBondContact N-O 3.11Å; T738-S746 PolarHBondContact OG1-O 2.97Å; Y741-S746 VanDerWaalsContact CD2-OG 3.28Å; Y741-S746 WeakPolarHBondContact CD2-OG 3.42Å | ||
| 747 | T | 90.3 | Very high | 80.7 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 17% | 0.172 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -78.3 | 156.5 | 171.5 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | W736 R749 E750 L751 | W736-T747 CarbonylContact O-C 3.51Å; W736-T747 VanDerWaalsContact O-CA 3.25Å; W736-T747 WeakPolarHBondContact O-CA 3.43Å; T747-R749 PolarHBondContact O-N 2.87Å; T747-E750 WeakPolarHBondContact CB-OE2 3.3Å; T747-E750 PolarHBondContact N-OE2 3.18Å; T747-E750 PolarHBondContact O-N 3.42Å; T747-E750 WeakPolarHBondContact OG1-CG 3.48Å; T747-E750 PolarHBondContact OG1-N 2.77Å; T747-E750 PolarHBondContact OG1-OE2 3.47Å; T747-L751 WeakPolarHBondContact O-CG 3.26Å; T747-L751 PolarHBondContact O-N 2.53Å |
| 748 | V | 89.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.5 | -37.8 | 173.8 | -179 | 0 | 0 | 0 | 0 | 111.6 | L725 L728 P734 W736 T738 L751 L752 | L725-V748 HydrophobicContact CD2-CG1 4.16Å; L728-V748 HydrophobicContact CB-CG1 4.24Å; L728-V748 HydrophobicContact CB-CG2 3.9Å; P734-V748 PolarHBondContact O-N 3.01Å; W736-V748 HydrophobicContact CB-CG2 4.3Å; W736-V748 HydrophobicContact CE3-CG2 3.85Å; W736-V748 PolarHBondContact O-N 2.96Å; T738-V748 HydrophobicContact CG2-CG2 3.84Å; V748-L751 PolarHBondContact O-N 3.33Å; V748-L752 HydrophobicContact CG1-CD1 3.95Å; V748-L752 HydrophobicContact CG1-CG 4.42Å; V748-L752 WeakPolarHBondContact O-CB 3.29Å; V748-L752 WeakPolarHBondContact O-CG 3.37Å; V748-L752 PolarHBondContact O-N 2.71Å |
| 749 | R | 90.4 | Very high | 80.9 | Confident | 101 Ų | 101 | 57.4 Ų | 57.4 | 38% | 0.381 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175 | -174.9 | -169 | -60.8 | -85.7 | 4 | 112.6 | P734 D735 T747 S753 L775 | P734-R749 HydrophobicContact CB-CB 4.13Å; P734-R749 WeakPolarHBondContact O-CB 3.49Å; P734-R749 PolarHBondContact O-N 3.31Å; D735-R749 IonicContact OD1-CZ 3.62Å; D735-R749 VanDerWaalsContact OD1-CZ 3.26Å; D735-R749 IonicContact OD1-NE 3.27Å; D735-R749 PolarHBondContact OD1-NE 2.99Å; D735-R749 IonicContact OD1-NH2 2.77Å; D735-R749 PolarHBondContact OD1-NH2 3.26Å; D735-R749 IonicContact OD2-NH2 3.8Å; D735-R749 PolarHBondContact OD2-NH2 3.11Å; T747-R749 PolarHBondContact O-N 2.87Å; R749-S753 WeakPolarHBondContact O-CB 3.21Å; R749-S753 PolarHBondContact O-N 3.25Å; R749-S753 PolarHBondContact O-OG 2.86Å; R749-L775 HydrophobicContact CG-CD2 4.38Å |
| 750 | E | 89 | Confident | 81 | Confident | 77 Ų | 77 | 51.2 Ų | 51.2 | 36% | 0.36 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 178.2 | -74.9 | 162.5 | 132.5 | 0 | 0 | 110.6 | R669 T747 L752 S753 E754 | R669-E750 IonicContact NH1-OE1 2.68Å; R669-E750 PolarHBondContact NH1-OE1 2.99Å; T747-E750 WeakPolarHBondContact CB-OE2 3.3Å; T747-E750 PolarHBondContact N-OE2 3.18Å; T747-E750 PolarHBondContact O-N 3.42Å; T747-E750 WeakPolarHBondContact OG1-CG 3.48Å; T747-E750 PolarHBondContact OG1-N 2.77Å; T747-E750 PolarHBondContact OG1-OE2 3.47Å; E750-L752 PolarHBondContact O-N 2.74Å; E750-S753 WeakPolarHBondContact O-CB 3.45Å; E750-S753 PolarHBondContact O-N 3.12Å; E750-S753 VanDerWaalsContact O-N 3.08Å; E750-E754 PolarHBondContact O-N 3.11Å |
| 751 | L | 90.4 | Very high | 81.4 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.3 | -64.2 | 174.3 | 0 | 0 | 0 | 112.7 | L674 L712 L725 T738 L740 Y741 T747 V748 S753 E754 L755 | L674-L751 HydrophobicContact CD1-CD2 3.63Å; L712-L751 HydrophobicContact CD2-CD1 4.13Å; L725-L751 HydrophobicContact CD1-CB 4.15Å; L725-L751 HydrophobicContact CD2-CB 3.69Å; L725-L751 HydrophobicContact CD2-CD1 3.9Å; L725-L751 HydrophobicContact CD2-CG 4.48Å; T738-L751 HydrophobicContact CG2-CD1 3.61Å; L740-L751 HydrophobicContact CD1-CD1 4.04Å; Y741-L751 HydrophobicContact CE2-CD2 4.29Å; T747-L751 WeakPolarHBondContact O-CG 3.26Å; T747-L751 PolarHBondContact O-N 2.53Å; V748-L751 PolarHBondContact O-N 3.33Å; L751-S753 VanDerWaalsContact C-N 3.27Å; L751-S753 PolarHBondContact O-N 2.67Å; L751-E754 PolarHBondContact O-N 3.09Å; L751-L755 WeakPolarHBondContact O-CB 3.22Å; L751-L755 PolarHBondContact O-N 3.24Å |
| 752 | L | 90.4 | Very high | 82 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 173.1 | -79.4 | 166.9 | 0 | 0 | 0 | 112.3 | L725 Y729 V748 E750 Y756 I771 I774 L775 | L725-L752 HydrophobicContact CB-CD2 3.59Å; L725-L752 HydrophobicContact CB-CG 3.92Å; L725-L752 HydrophobicContact CD1-CD2 4.03Å; L725-L752 HydrophobicContact CD1-CG 4.19Å; L725-L752 HydrophobicContact CG-CD2 4.41Å; L725-L752 HydrophobicContact CG-CG 4.49Å; Y729-L752 HydrophobicContact CD2-CD1 3.89Å; Y729-L752 HydrophobicContact CG-CD1 4.48Å; V748-L752 HydrophobicContact CG1-CD1 3.95Å; V748-L752 HydrophobicContact CG1-CG 4.42Å; V748-L752 WeakPolarHBondContact O-CB 3.29Å; V748-L752 WeakPolarHBondContact O-CG 3.37Å; V748-L752 PolarHBondContact O-N 2.71Å; E750-L752 PolarHBondContact O-N 2.74Å; L752-Y756 VanDerWaalsContact O-CB 3.27Å; L752-Y756 WeakPolarHBondContact O-CB 3.14Å; L752-Y756 PolarHBondContact O-N 3.28Å; L752-I771 HydrophobicContact CD2-CG2 4.21Å; L752-I771 WeakPolarHBondContact O-CG2 3.4Å; L752-I774 HydrophobicContact CD1-CG2 3.63Å; L752-I774 HydrophobicContact CD2-CD1 4.44Å; L752-I774 HydrophobicContact CD2-CG2 4.32Å; L752-L775 HydrophobicContact CB-CD1 4.44Å; L752-L775 HydrophobicContact CB-CD2 3.67Å; L752-L775 HydrophobicContact CB-CG 4.1Å; L752-L775 HydrophobicContact CD1-CD2 4.31Å |
| 753 | S | 89.1 | Confident | 83.5 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.4 | -37 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | R749 E750 L751 V757 | R749-S753 WeakPolarHBondContact O-CB 3.21Å; R749-S753 PolarHBondContact O-N 3.25Å; R749-S753 PolarHBondContact O-OG 2.86Å; E750-S753 WeakPolarHBondContact O-CB 3.45Å; E750-S753 PolarHBondContact O-N 3.12Å; E750-S753 VanDerWaalsContact O-N 3.08Å; L751-S753 VanDerWaalsContact C-N 3.27Å; L751-S753 PolarHBondContact O-N 2.67Å; S753-V757 WeakPolarHBondContact O-CG2 3.42Å; S753-V757 PolarHBondContact O-N 3.5Å |
| 754 | E | 87.6 | Confident | 85.2 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68 | -47.2 | 172.3 | -173.3 | 177.7 | 158.3 | 0 | 0 | 111.4 | L674 E750 L751 Y756 V757 K758 | L674-E754 WeakPolarHBondContact CB-OE1 3.39Å; L674-E754 WeakPolarHBondContact CD1-OE2 3.33Å; L674-E754 PolarHBondContact N-OE1 3.46Å; L674-E754 VanDerWaalsContact N-OE1 3.11Å; E750-E754 PolarHBondContact O-N 3.11Å; L751-E754 PolarHBondContact O-N 3.09Å; E754-Y756 VanDerWaalsContact C-N 3.27Å; E754-Y756 PolarHBondContact O-N 2.97Å; E754-V757 PolarHBondContact O-N 3.39Å; E754-K758 PolarHBondContact O-N 3.3Å |
| 755 | L | 90.1 | Very high | 86.8 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -39.9 | 175.8 | -174.9 | 63.3 | 0 | 0 | 0 | 111.3 | L718 Q721 A722 L725 L751 V757 K758 V759 I771 | L718-L755 HydrophobicContact CB-CD1 4.48Å; L718-L755 HydrophobicContact CD2-CD1 3.74Å; Q721-L755 HydrophobicContact CB-CD1 4.35Å; Q721-L755 HydrophobicContact CB-CD2 4.03Å; A722-L755 HydrophobicContact CB-CD2 3.92Å; L725-L755 HydrophobicContact CD1-CB 4.47Å; L725-L755 HydrophobicContact CD1-CD2 3.9Å; L751-L755 WeakPolarHBondContact O-CB 3.22Å; L751-L755 PolarHBondContact O-N 3.24Å; L755-V757 VanDerWaalsContact C-N 3.33Å; L755-V757 PolarHBondContact O-N 3.19Å; L755-K758 PolarHBondContact O-N 3.48Å; L755-V759 HydrophobicContact CD1-CG2 3.87Å; L755-V759 HydrophobicContact CG-CG2 4.04Å; L755-V759 VanDerWaalsContact O-CB 3.29Å; L755-V759 WeakPolarHBondContact O-CB 3.41Å; L755-V759 WeakPolarHBondContact O-CG2 3.39Å; L755-V759 PolarHBondContact O-N 3.01Å; L755-I771 HydrophobicContact CD2-CD1 3.93Å; L755-I771 HydrophobicContact CG-CD1 3.82Å |
| 756 | Y | 89.6 | Confident | 87.8 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57 | -42.9 | 173 | 169.6 | -89.3 | 0 | 0 | 0 | 112.7 | Y531 L752 E754 G760 I768 I771 S772 L775 K777 | Y531-Y756 WeakPolarHBondContact CB-OH 3.47Å; L752-Y756 VanDerWaalsContact O-CB 3.27Å; L752-Y756 WeakPolarHBondContact O-CB 3.14Å; L752-Y756 PolarHBondContact O-N 3.28Å; E754-Y756 VanDerWaalsContact C-N 3.27Å; E754-Y756 PolarHBondContact O-N 2.97Å; Y756-G760 PolarHBondContact O-N 3.28Å; Y756-I768 HydrophobicContact CE2-CG2 4.1Å; Y756-I771 HydrophobicContact CD2-CG2 4.47Å; Y756-S772 VanDerWaalsContact CE2-OG 3.29Å; Y756-S772 WeakPolarHBondContact CE2-OG 3.31Å; Y756-L775 HydrophobicContact CG-CD1 4.45Å; Y756-K777 HydrophobicContact CD2-CD 4.3Å; Y756-K777 HydrophobicContact CE1-CD 4.4Å; Y756-K777 HydrophobicContact CE2-CD 3.73Å; Y756-K777 VanDerWaalsContact CZ-CE 3.46Å; Y756-K777 VanDerWaalsContact CZ-NZ 3.34Å; Y756-K777 PolarHBondContact OH-NZ 3.24Å |
| 757 | V | 85.3 | Confident | 88 | Confident | 79 Ų | 79 | 41.6 Ų | 41.6 | 48% | 0.479 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.8 | -51.1 | 177.4 | 173 | 0 | 0 | 0 | 0 | 110.1 | S753 E754 L755 V759 G760 E761 | S753-V757 WeakPolarHBondContact O-CG2 3.42Å; S753-V757 PolarHBondContact O-N 3.5Å; E754-V757 PolarHBondContact O-N 3.39Å; L755-V757 VanDerWaalsContact C-N 3.33Å; L755-V757 PolarHBondContact O-N 3.19Å; V757-V759 PolarHBondContact O-N 2.98Å; V757-G760 CarbonylContact O-C 3.59Å; V757-G760 VanDerWaalsContact O-CA 3.31Å; V757-G760 WeakPolarHBondContact O-CA 3.33Å; V757-G760 PolarHBondContact O-N 2.94Å; V757-E761 PolarHBondContact O-N 3.46Å |
| 758 | K | 85.8 | Confident | 88 | Confident | 74 Ų | 74 | 40.2 Ų | 40.2 | 32% | 0.322 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60 | -43.1 | -179.3 | -172.5 | 176.8 | -175.9 | 178.8 | 0 | 113.2 | L718 E754 L755 G760 E761 I762 | L718-K758 HydrophobicContact CD2-CD 4.04Å; E754-K758 PolarHBondContact O-N 3.3Å; L755-K758 PolarHBondContact O-N 3.48Å; K758-G760 VanDerWaalsContact C-N 3.28Å; K758-E761 PolarHBondContact O-N 3.4Å; K758-I762 PolarHBondContact O-N 3.3Å |
| 759 | V | 88.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.6 | -30.9 | 175.1 | 176 | 0 | 0 | 0 | 0 | 110.9 | L718 L755 V757 I762 R763 H764 L767 I768 I771 | L718-V759 HydrophobicContact CB-CG2 4.3Å; L718-V759 HydrophobicContact CD1-CG2 4.22Å; L755-V759 HydrophobicContact CD1-CG2 3.87Å; L755-V759 HydrophobicContact CG-CG2 4.04Å; L755-V759 VanDerWaalsContact O-CB 3.29Å; L755-V759 WeakPolarHBondContact O-CB 3.41Å; L755-V759 WeakPolarHBondContact O-CG2 3.39Å; L755-V759 PolarHBondContact O-N 3.01Å; V757-V759 PolarHBondContact O-N 2.98Å; V759-I762 WeakPolarHBondContact O-CG1 3.36Å; V759-R763 PolarHBondContact O-N 2.97Å; V759-R763 VanDerWaalsContact O-N 3.16Å; V759-H764 HydrophobicContact CG1-CB 4.01Å; V759-H764 PolarHBondContact O-N 3.14Å; V759-L767 HydrophobicContact CG1-CB 3.44Å; V759-L767 VanDerWaalsContact CG1-CB 3.44Å; V759-L767 HydrophobicContact CG1-CD1 4.45Å; V759-I768 HydrophobicContact CG1-CG1 3.69Å; V759-I771 HydrophobicContact CB-CD1 4.28Å; V759-I771 HydrophobicContact CG1-CD1 4.4Å; V759-I771 HydrophobicContact CG2-CD1 3.92Å |
| 760 | G | 84.9 | Confident | 88 | Confident | 7 Ų | 7 | 37 Ų | 37 | 7% | 0.072 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y756 V757 K758 R763 | Y756-G760 PolarHBondContact O-N 3.28Å; V757-G760 CarbonylContact O-C 3.59Å; V757-G760 VanDerWaalsContact O-CA 3.31Å; V757-G760 WeakPolarHBondContact O-CA 3.33Å; V757-G760 PolarHBondContact O-N 2.94Å; K758-G760 VanDerWaalsContact C-N 3.28Å; G760-R763 WeakPolarHBondContact O-CA 3.35Å; G760-R763 WeakPolarHBondContact O-CG 3.12Å; G760-R763 PolarHBondContact O-N 3.31Å |
| 761 | E | 82 | Confident | 88.1 | Confident | 141 Ų | 141 | 33.3 Ų | 33.3 | 66% | 0.659 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -60.3 | -47.4 | 177.4 | -70.5 | 168 | 171.2 | 0 | 0 | 111.7 | V757 K758 R763 | V757-E761 PolarHBondContact O-N 3.46Å; K758-E761 PolarHBondContact O-N 3.4Å; E761-R763 PolarHBondContact O-N 3.44Å |
| 762 | I | 84.2 | Confident | 88 | Confident | 94 Ų | 94 | 33.3 Ų | 33.3 | 48% | 0.482 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -0.3 | 175 | 66.7 | 164.4 | 0 | 0 | 0 | 113.9 | L718 K758 V759 H764 | L718-I762 HydrophobicContact CD1-CD1 3.38Å; K758-I762 PolarHBondContact O-N 3.3Å; V759-I762 WeakPolarHBondContact O-CG1 3.36Å; I762-H764 VanDerWaalsContact C-N 3.3Å; I762-H764 HydrophobicContact CD1-CB 3.9Å; I762-H764 HydrophobicContact CG1-CB 4.06Å; I762-H764 PolarHBondContact O-N 2.92Å |
| 763 | R | 84.8 | Confident | 87.9 | Confident | 65 Ų | 65 | 33.6 Ų | 33.6 | 25% | 0.245 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.7 | 179.2 | -61.8 | -178.7 | 175 | 122.1 | 4.5 | 114.7 | L534 N536 V759 G760 E761 W765 | L534-R763 PolarHBondContact O-NE 2.7Å; N536-R763 PolarHBondContact ND2-NH2 3.06Å; V759-R763 PolarHBondContact O-N 2.97Å; V759-R763 VanDerWaalsContact O-N 3.16Å; G760-R763 WeakPolarHBondContact O-CA 3.35Å; G760-R763 WeakPolarHBondContact O-CG 3.12Å; G760-R763 PolarHBondContact O-N 3.31Å; E761-R763 PolarHBondContact O-N 3.44Å; R763-W765 HydrophobicContact CB-CH2 4.43Å; R763-W765 HydrophobicContact CB-CZ2 3.82Å; R763-W765 HydrophobicContact CG-CH2 4.41Å; R763-W765 HydrophobicContact CG-CZ2 4.1Å; R763-W765 PolarHBondContact O-N 2.94Å; R763-W765 PolarHBondContact O-NE1 3.06Å |
| 764 | H | 88.2 | Confident | 87.8 | Confident | 47 Ų | 47 | 31.3 Ų | 31.3 | 22% | 0.218 | 15% | 0.154 | C | C | . | . | trans | -79.7 | 79.7 | -179.9 | -171.4 | -46.6 | 0 | 0 | 0 | 111.7 | V759 I762 G766 L767 I768 | V759-H764 HydrophobicContact CG1-CB 4.01Å; V759-H764 PolarHBondContact O-N 3.14Å; I762-H764 VanDerWaalsContact C-N 3.3Å; I762-H764 HydrophobicContact CD1-CB 3.9Å; I762-H764 HydrophobicContact CG1-CB 4.06Å; I762-H764 PolarHBondContact O-N 2.92Å; H764-G766 PolarHBondContact O-N 3.42Å; H764-G766 VanDerWaalsContact O-N 3.12Å; H764-L767 PolarHBondContact O-N 2.98Å; H764-I768 WeakPolarHBondContact O-CG1 3.41Å; H764-I768 PolarHBondContact O-N 3.18Å | ||
| 765 | W | 90.9 | Very high | 87.8 | Confident | 28 Ų | 28 | 30.3 Ų | 30.3 | 11% | 0.106 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52.5 | -38.9 | -165.1 | -55.6 | 108.3 | 0 | 0 | 0 | 117 | L534 D535 R763 I768 R769 P893 | L534-W765 HydrophobicContact CB-CH2 4.03Å; L534-W765 HydrophobicContact CB-CZ3 4.1Å; D535-W765 HydrophobicContact CB-CH2 3.76Å; D535-W765 HydrophobicContact CB-CZ2 4.22Å; D535-W765 HydrophobicContact CB-CZ3 4.49Å; R763-W765 HydrophobicContact CB-CH2 4.43Å; R763-W765 HydrophobicContact CB-CZ2 3.82Å; R763-W765 HydrophobicContact CG-CH2 4.41Å; R763-W765 HydrophobicContact CG-CZ2 4.1Å; R763-W765 PolarHBondContact O-N 2.94Å; R763-W765 PolarHBondContact O-NE1 3.06Å; W765-I768 HydrophobicContact CD2-CD1 4.36Å; W765-I768 HydrophobicContact CE3-CD1 3.75Å; W765-I768 HydrophobicContact CZ3-CD1 4Å; W765-I768 PolarHBondContact O-N 3.17Å; W765-R769 WeakPolarHBondContact O-CG 3.01Å; W765-R769 PolarHBondContact O-N 3.41Å; W765-P893 HydrophobicContact CE3-CG 4.19Å; W765-P893 HydrophobicContact CZ3-CG 3.99Å |
| 766 | G | 88.2 | Confident | 87.5 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 12% | 0.124 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | H764 R769 Y770 M889 N890 | H764-G766 PolarHBondContact O-N 3.42Å; H764-G766 VanDerWaalsContact O-N 3.12Å; G766-R769 PolarHBondContact O-N 3.21Å; G766-Y770 WeakPolarHBondContact O-CB 3.21Å; G766-Y770 PolarHBondContact O-N 3.19Å; G766-M889 WeakPolarHBondContact CA-O 3.49Å; G766-M889 PolarHBondContact N-O 3.01Å; G766-N890 VanDerWaalsContact CA-OD1 3.27Å; G766-N890 WeakPolarHBondContact CA-OD1 3.25Å; G766-N890 PolarHBondContact N-OD1 3.21Å |
| 767 | L | 89 | Confident | 87.2 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.9 | -37.3 | 174.3 | -79.8 | 174.3 | 0 | 0 | 0 | 112.3 | L718 Q719 A722 V759 H764 R769 Y770 I771 | L718-L767 HydrophobicContact CB-CD1 4.11Å; Q719-L767 HydrophobicContact CB-CD1 4.47Å; Q719-L767 HydrophobicContact CB-CD2 4.47Å; Q719-L767 VanDerWaalsContact OE1-CD2 3.26Å; A722-L767 HydrophobicContact CB-CD2 3.96Å; V759-L767 HydrophobicContact CG1-CB 3.44Å; V759-L767 VanDerWaalsContact CG1-CB 3.44Å; V759-L767 HydrophobicContact CG1-CD1 4.45Å; H764-L767 PolarHBondContact O-N 2.98Å; L767-R769 VanDerWaalsContact C-N 3.33Å; L767-R769 PolarHBondContact O-N 3.24Å; L767-Y770 HydrophobicContact CD2-CD1 4.37Å; L767-Y770 PolarHBondContact O-N 3.21Å; L767-I771 WeakPolarHBondContact O-CB 3.18Å; L767-I771 WeakPolarHBondContact O-CD1 3.28Å; L767-I771 VanDerWaalsContact O-CG1 3.29Å; L767-I771 WeakPolarHBondContact O-CG1 3.33Å; L767-I771 PolarHBondContact O-N 3.1Å |
| 768 | I | 90.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 174.3 | -61.3 | 173.7 | 0 | 0 | 0 | 110.2 | Y531 L534 Y756 V759 H764 W765 S772 | Y531-I768 VanDerWaalsContact CB-CG2 3.49Å; Y531-I768 HydrophobicContact CD1-CG2 3.78Å; Y531-I768 HydrophobicContact CD2-CG2 3.89Å; Y531-I768 HydrophobicContact CE1-CG2 4.47Å; Y531-I768 HydrophobicContact CG-CG2 3.44Å; Y531-I768 VanDerWaalsContact CG-CG2 3.44Å; L534-I768 HydrophobicContact CD1-CD1 4.28Å; Y756-I768 HydrophobicContact CE2-CG2 4.1Å; V759-I768 HydrophobicContact CG1-CG1 3.69Å; H764-I768 WeakPolarHBondContact O-CG1 3.41Å; H764-I768 PolarHBondContact O-N 3.18Å; W765-I768 HydrophobicContact CD2-CD1 4.36Å; W765-I768 HydrophobicContact CE3-CD1 3.75Å; W765-I768 HydrophobicContact CZ3-CD1 4Å; W765-I768 PolarHBondContact O-N 3.17Å; I768-S772 WeakPolarHBondContact O-CB 3.35Å; I768-S772 PolarHBondContact O-N 2.92Å; I768-S772 PolarHBondContact O-OG 3.38Å |
| 769 | R | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -49.9 | 175.2 | -74.7 | 178.6 | 174.2 | 99.4 | 10.4 | 111.5 | Y531 W765 G766 L767 S772 G773 E838 M889 L891 | Y531-R769 HydrophobicContact CE2-CG 4.31Å; Y531-R769 WeakPolarHBondContact OH-CG 3.45Å; W765-R769 WeakPolarHBondContact O-CG 3.01Å; W765-R769 PolarHBondContact O-N 3.41Å; G766-R769 PolarHBondContact O-N 3.21Å; L767-R769 VanDerWaalsContact C-N 3.33Å; L767-R769 PolarHBondContact O-N 3.24Å; R769-S772 PolarHBondContact O-N 3.03Å; R769-G773 PolarHBondContact O-N 2.87Å; R769-E838 IonicContact CZ-OE1 2.85Å; R769-E838 VanDerWaalsContact CZ-OE1 3.29Å; R769-E838 IonicContact CZ-OE2 2.77Å; R769-E838 IonicContact NE-OE1 2.76Å; R769-E838 PolarHBondContact NE-OE1 3.45Å; R769-E838 IonicContact NE-OE2 2.81Å; R769-E838 IonicContact NH2-OE1 3.41Å; R769-E838 PolarHBondContact NH2-OE1 3.15Å; R769-E838 VanDerWaalsContact NH2-OE1 3.11Å; R769-E838 IonicContact NH2-OE2 2.93Å; R769-E838 PolarHBondContact NH2-OE2 3.05Å; R769-M889 PolarHBondContact NH1-O 2.88Å; R769-L891 PolarHBondContact NH1-O 3.01Å; R769-L891 PolarHBondContact NH2-O 3.19Å; R769-L891 VanDerWaalsContact NH2-O 3.15Å |
| 770 | Y | 89.3 | Confident | 85.5 | Confident | 32 Ų | 32 | 38.5 Ų | 38.5 | 13% | 0.125 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.6 | -54.4 | -178.7 | -174.9 | -131.3 | 0 | 0 | 0 | 112.1 | A722 D723 Y726 G766 L767 S772 G773 I774 N831 | A722-Y770 HydrophobicContact CB-CD1 4.14Å; A722-Y770 HydrophobicContact CB-CE1 4.17Å; D723-Y770 WeakPolarHBondContact OD1-CE1 3.33Å; D723-Y770 PolarHBondContact OD1-OH 3.49Å; Y726-Y770 WeakPolarHBondContact CD1-OH 3.34Å; Y726-Y770 VanDerWaalsContact CG-OH 3.28Å; G766-Y770 WeakPolarHBondContact O-CB 3.21Å; G766-Y770 PolarHBondContact O-N 3.19Å; L767-Y770 HydrophobicContact CD2-CD1 4.37Å; L767-Y770 PolarHBondContact O-N 3.21Å; Y770-S772 VanDerWaalsContact C-N 3.33Å; Y770-S772 PolarHBondContact O-N 3.47Å; Y770-G773 PolarHBondContact O-N 2.99Å; Y770-G773 VanDerWaalsContact O-N 3.16Å; Y770-I774 HydrophobicContact CD1-CD1 4.17Å; Y770-I774 HydrophobicContact CD2-CD1 4.43Å; Y770-I774 HydrophobicContact CE1-CD1 3.95Å; Y770-I774 HydrophobicContact CE2-CD1 4.2Å; Y770-I774 HydrophobicContact CG-CD1 4.41Å; Y770-I774 WeakPolarHBondContact O-CG1 3.5Å; Y770-I774 PolarHBondContact O-N 2.97Å; Y770-N831 WeakPolarHBondContact CA-OD1 3.37Å; Y770-N831 WeakPolarHBondContact CB-OD1 3.16Å; Y770-N831 PolarHBondContact N-OD1 3.21Å |
| 771 | I | 90.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65 | -37 | -179.2 | -59.9 | 161.1 | 0 | 0 | 0 | 111.2 | A722 L752 L755 Y756 V759 L767 G773 I774 L775 | A722-I771 HydrophobicContact CB-CD1 4.36Å; A722-I771 HydrophobicContact CB-CG1 4.16Å; L752-I771 HydrophobicContact CD2-CG2 4.21Å; L752-I771 WeakPolarHBondContact O-CG2 3.4Å; L755-I771 HydrophobicContact CD2-CD1 3.93Å; L755-I771 HydrophobicContact CG-CD1 3.82Å; Y756-I771 HydrophobicContact CD2-CG2 4.47Å; V759-I771 HydrophobicContact CB-CD1 4.28Å; V759-I771 HydrophobicContact CG1-CD1 4.4Å; V759-I771 HydrophobicContact CG2-CD1 3.92Å; L767-I771 WeakPolarHBondContact O-CB 3.18Å; L767-I771 WeakPolarHBondContact O-CD1 3.28Å; L767-I771 VanDerWaalsContact O-CG1 3.29Å; L767-I771 WeakPolarHBondContact O-CG1 3.33Å; L767-I771 PolarHBondContact O-N 3.1Å; I771-G773 VanDerWaalsContact C-N 3.31Å; I771-G773 PolarHBondContact O-N 2.85Å; I771-I774 PolarHBondContact O-N 3.01Å; I771-L775 HydrophobicContact CG2-CD1 3.98Å; I771-L775 HydrophobicContact CG2-CG 4.36Å; I771-L775 WeakPolarHBondContact O-CB 3.3Å; I771-L775 WeakPolarHBondContact O-CG 3.35Å; I771-L775 PolarHBondContact O-N 3.25Å |
| 772 | S | 89.3 | Confident | 85.1 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 174.8 | -62 | 0 | 0 | 0 | 0 | 112.5 | Y531 Y756 I768 R769 Y770 R776 K777 | Y531-S772 WeakPolarHBondContact CD1-OG 3.38Å; Y531-S772 WeakPolarHBondContact CE1-OG 3.43Å; Y756-S772 VanDerWaalsContact CE2-OG 3.29Å; Y756-S772 WeakPolarHBondContact CE2-OG 3.31Å; I768-S772 WeakPolarHBondContact O-CB 3.35Å; I768-S772 PolarHBondContact O-N 2.92Å; I768-S772 PolarHBondContact O-OG 3.38Å; R769-S772 PolarHBondContact O-N 3.03Å; Y770-S772 VanDerWaalsContact C-N 3.33Å; Y770-S772 PolarHBondContact O-N 3.47Å; S772-R776 PolarHBondContact O-N 3.2Å; S772-K777 PolarHBondContact O-N 2.99Å |
| 773 | G | 87.2 | Confident | 85 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | R769 Y770 I771 L775 R776 M830 | R769-G773 PolarHBondContact O-N 2.87Å; Y770-G773 PolarHBondContact O-N 2.99Å; Y770-G773 VanDerWaalsContact O-N 3.16Å; I771-G773 VanDerWaalsContact C-N 3.31Å; I771-G773 PolarHBondContact O-N 2.85Å; G773-L775 PolarHBondContact O-N 3.49Å; G773-R776 PolarHBondContact O-N 2.97Å; G773-M830 VanDerWaalsContact CA-CG 3.4Å |
| 774 | I | 88 | Confident | 84.6 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 176.5 | -59 | 166.9 | 0 | 0 | 0 | 110.6 | Y726 Y729 L752 Y770 I771 R776 | Y726-I774 HydrophobicContact CD2-CD1 3.81Å; Y726-I774 HydrophobicContact CD2-CG1 3.77Å; Y726-I774 HydrophobicContact CD2-CG2 4.38Å; Y726-I774 HydrophobicContact CE2-CG1 4.42Å; Y726-I774 HydrophobicContact CG-CD1 4.15Å; Y729-I774 HydrophobicContact CD1-CG2 4.02Å; Y729-I774 HydrophobicContact CD2-CG2 3.84Å; Y729-I774 HydrophobicContact CE1-CG2 4.34Å; Y729-I774 HydrophobicContact CE2-CG2 4.15Å; Y729-I774 HydrophobicContact CG-CG2 3.78Å; Y729-I774 PolarHBondContact OH-O 3.07Å; L752-I774 HydrophobicContact CD1-CG2 3.63Å; L752-I774 HydrophobicContact CD2-CD1 4.44Å; L752-I774 HydrophobicContact CD2-CG2 4.32Å; Y770-I774 HydrophobicContact CD1-CD1 4.17Å; Y770-I774 HydrophobicContact CD2-CD1 4.43Å; Y770-I774 HydrophobicContact CE1-CD1 3.95Å; Y770-I774 HydrophobicContact CE2-CD1 4.2Å; Y770-I774 HydrophobicContact CG-CD1 4.41Å; Y770-I774 WeakPolarHBondContact O-CG1 3.5Å; Y770-I774 PolarHBondContact O-N 2.97Å; I771-I774 PolarHBondContact O-N 3.01Å; I774-R776 PolarHBondContact O-N 3.43Å |
| 775 | L | 87.6 | Confident | 84.5 | Confident | 25 Ų | 25 | 28.2 Ų | 28.2 | 13% | 0.131 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -10.9 | 176.9 | -73.2 | 174.9 | 0 | 0 | 0 | 113.7 | R749 L752 Y756 I771 G773 K777 | R749-L775 HydrophobicContact CG-CD2 4.38Å; L752-L775 HydrophobicContact CB-CD1 4.44Å; L752-L775 HydrophobicContact CB-CD2 3.67Å; L752-L775 HydrophobicContact CB-CG 4.1Å; L752-L775 HydrophobicContact CD1-CD2 4.31Å; Y756-L775 HydrophobicContact CG-CD1 4.45Å; I771-L775 HydrophobicContact CG2-CD1 3.98Å; I771-L775 HydrophobicContact CG2-CG 4.36Å; I771-L775 WeakPolarHBondContact O-CB 3.3Å; I771-L775 WeakPolarHBondContact O-CG 3.35Å; I771-L775 PolarHBondContact O-N 3.25Å; G773-L775 PolarHBondContact O-N 3.49Å; L775-K777 VanDerWaalsContact C-N 3.26Å; L775-K777 HydrophobicContact CB-CG 4.16Å; L775-K777 PolarHBondContact O-N 3.48Å |
| 776 | R | 83.9 | Confident | 84.4 | Confident | 174 Ų | 174 | 26.9 Ų | 26.9 | 66% | 0.657 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 44.8 | -171.6 | -62.3 | -177.3 | 169.3 | -177 | -4.9 | 112.6 | S772 G773 I774 K778 | S772-R776 PolarHBondContact O-N 3.2Å; G773-R776 PolarHBondContact O-N 2.97Å; I774-R776 PolarHBondContact O-N 3.43Å; R776-K778 PolarHBondContact O-N 3.23Å |
| 777 | K | 83.6 | Confident | 84 | Confident | 42 Ų | 42 | 26.7 Ų | 26.7 | 18% | 0.183 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 134.3 | 175.1 | -79.5 | -161.8 | 166.7 | -126.4 | 0 | 110.1 | Q528 Q529 F530 Y756 S772 L775 V779 | Q528-K777 PolarHBondContact O-NZ 3.17Å; Q529-K777 WeakPolarHBondContact O-CB 3.42Å; F530-K777 HydrophobicContact CD2-CB 4.19Å; Y756-K777 HydrophobicContact CD2-CD 4.3Å; Y756-K777 HydrophobicContact CE1-CD 4.4Å; Y756-K777 HydrophobicContact CE2-CD 3.73Å; Y756-K777 VanDerWaalsContact CZ-CE 3.46Å; Y756-K777 VanDerWaalsContact CZ-NZ 3.34Å; Y756-K777 PolarHBondContact OH-NZ 3.24Å; S772-K777 PolarHBondContact O-N 2.99Å; L775-K777 VanDerWaalsContact C-N 3.26Å; L775-K777 HydrophobicContact CB-CG 4.16Å; L775-K777 PolarHBondContact O-N 3.48Å; K777-V779 PolarHBondContact O-N 3.26Å |
| 778 | K | 76.3 | Confident | 83.6 | Confident | 92 Ų | 92 | 27.2 Ų | 27.2 | 40% | 0.4 | 13% | 0.128 | S | C | . | . | P | Polyproline II helix | trans | -76 | 122.9 | -177.6 | -74.4 | -159.5 | 169.5 | -161.2 | 0 | 110.1 | R776 E780 Y815 E816 | R776-K778 PolarHBondContact O-N 3.23Å; K778-E780 PolarHBondContact O-N 3.45Å; K778-Y815 WeakPolarHBondContact CA-OH 3.49Å; K778-Y815 HydrophobicContact CB-CE1 4.47Å; K778-Y815 HydrophobicContact CB-CE2 4.45Å; K778-Y815 HydrophobicContact CD-CD1 4.17Å; K778-Y815 HydrophobicContact CD-CE1 3.93Å; K778-Y815 HydrophobicContact CG-CE1 3.83Å; K778-E816 IonicContact NZ-OE1 2.67Å; K778-E816 PolarHBondContact NZ-OE1 3.23Å |
| 779 | V | 77.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 116.2 | 171 | 177.5 | 0 | 0 | 0 | 0 | 107.3 | F530 K777 A781 L782 Y815 Q837 V841 | F530-V779 HydrophobicContact CD1-CG1 4.38Å; F530-V779 HydrophobicContact CD1-CG2 4.4Å; F530-V779 HydrophobicContact CD2-CG2 4.04Å; F530-V779 HydrophobicContact CE1-CB 4.43Å; F530-V779 HydrophobicContact CE1-CG1 4.18Å; F530-V779 HydrophobicContact CE1-CG2 3.91Å; F530-V779 HydrophobicContact CE2-CB 4.45Å; F530-V779 HydrophobicContact CE2-CG2 3.49Å; F530-V779 VanDerWaalsContact CE2-CG2 3.49Å; F530-V779 HydrophobicContact CG-CG2 4.49Å; F530-V779 HydrophobicContact CZ-CB 4.4Å; F530-V779 HydrophobicContact CZ-CG2 3.44Å; F530-V779 VanDerWaalsContact CZ-CG2 3.44Å; K777-V779 PolarHBondContact O-N 3.26Å; V779-A781 PolarHBondContact O-N 3.2Å; V779-L782 HydrophobicContact CB-CB 4.1Å; V779-L782 HydrophobicContact CB-CD2 4.47Å; V779-L782 HydrophobicContact CG1-CB 4.09Å; V779-L782 HydrophobicContact CG1-CD1 4.49Å; V779-L782 PolarHBondContact O-N 3.12Å; V779-Y815 PolarHBondContact N-OH 3.25Å; V779-Y815 VanDerWaalsContact N-OH 3.08Å; V779-Y815 WeakPolarHBondContact O-CE2 3.39Å; V779-Q837 HydrophobicContact CB-CB 4.45Å; V779-Q837 HydrophobicContact CG1-CB 4.47Å; V779-Q837 HydrophobicContact CG2-CB 3.77Å; V779-Q837 HydrophobicContact CG2-CG 4.48Å; V779-V841 HydrophobicContact CG1-CG2 3.78Å |
| 780 | E | 69.5 | Low | 83.1 | Confident | 33 Ų | 33 | 28 Ų | 28 | 15% | 0.154 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 138.6 | -179.7 | -58.3 | -162.4 | 128.5 | 0 | 0 | 111.1 | Q523 F524 Q529 F530 K778 L782 | Q523-E780 PolarHBondContact NE2-OE1 3.18Å; F524-E780 WeakPolarHBondContact CA-OE2 3.48Å; Q529-E780 HydrophobicContact CB-CG 3.76Å; Q529-E780 WeakPolarHBondContact CB-OE1 3.37Å; Q529-E780 HydrophobicContact CG-CG 4.36Å; Q529-E780 WeakPolarHBondContact CG-OE1 3.44Å; F530-E780 HydrophobicContact CB-CG 4.42Å; K778-E780 PolarHBondContact O-N 3.45Å; E780-L782 PolarHBondContact O-N 3.34Å; E780-L782 VanDerWaalsContact O-N 3.14Å |
| 781 | A | 72.4 | Confident | 82.3 | Confident | 30 Ų | 30 | 26.7 Ų | 26.7 | 25% | 0.248 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | V779 E784 A785 | V779-A781 PolarHBondContact O-N 3.2Å; A781-E784 HydrophobicContact CB-CB 3.94Å; A781-E784 HydrophobicContact CB-CG 4.4Å; A781-E784 WeakPolarHBondContact CB-OE2 3.48Å; A781-A785 WeakPolarHBondContact O-CB 3.13Å; A781-A785 PolarHBondContact O-N 3.4Å |
| 782 | L | 86.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.2 | -43.4 | 178.7 | 177.9 | 64.9 | 0 | 0 | 0 | 113 | V779 E780 A785 C786 Y815 L818 I822 Q837 M840 | V779-L782 HydrophobicContact CB-CB 4.1Å; V779-L782 HydrophobicContact CB-CD2 4.47Å; V779-L782 HydrophobicContact CG1-CB 4.09Å; V779-L782 HydrophobicContact CG1-CD1 4.49Å; V779-L782 PolarHBondContact O-N 3.12Å; E780-L782 PolarHBondContact O-N 3.34Å; E780-L782 VanDerWaalsContact O-N 3.14Å; L782-A785 PolarHBondContact O-N 3.04Å; L782-C786 WeakPolarHBondContact O-CB 3.36Å; L782-C786 PolarHBondContact O-N 3Å; L782-Y815 HydrophobicContact CB-CD2 4.22Å; L782-Y815 HydrophobicContact CB-CE2 3.85Å; L782-Y815 HydrophobicContact CD2-CE2 4.02Å; L782-L818 HydrophobicContact CD2-CD2 4.29Å; L782-L818 HydrophobicContact CD2-CG 4.44Å; L782-L818 HydrophobicContact CG-CD2 3.87Å; L782-I822 HydrophobicContact CD2-CD1 4.4Å; L782-Q837 HydrophobicContact CD1-CB 3.9Å; L782-Q837 HydrophobicContact CD1-CG 4.15Å; L782-Q837 HydrophobicContact CD2-CB 4.17Å; L782-Q837 HydrophobicContact CD2-CG 3.71Å; L782-M840 HydrophobicContact CD1-CB 4.11Å; L782-M840 HydrophobicContact CD1-CE 4.16Å; L782-M840 HydrophobicContact CD1-SD 4.35Å |
| 783 | D | 80.8 | Confident | 81.1 | Confident | 46 Ų | 46 | 30.4 Ų | 30.4 | 25% | 0.246 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.9 | -32.6 | 175.9 | 57.2 | -37.7 | 0 | 0 | 0 | 111.7 | T787 | D783-T787 VanDerWaalsContact O-CB 3.31Å; D783-T787 WeakPolarHBondContact O-CB 3.2Å; D783-T787 PolarHBondContact O-N 2.89Å; D783-T787 PolarHBondContact O-OG1 2.58Å |
| 784 | E | 77.9 | Confident | 81 | Confident | 55 Ų | 55 | 31.2 Ų | 31.2 | 26% | 0.257 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 166.1 | -67.8 | 172.3 | -153.9 | 0 | 0 | 111.8 | A781 C786 T787 D788 | A781-E784 HydrophobicContact CB-CB 3.94Å; A781-E784 HydrophobicContact CB-CG 4.4Å; A781-E784 WeakPolarHBondContact CB-OE2 3.48Å; E784-C786 PolarHBondContact O-N 3.39Å; E784-T787 CarbonylContact O-C 3.59Å; E784-T787 WeakPolarHBondContact O-CA 3.24Å; E784-T787 VanDerWaalsContact O-CB 3.32Å; E784-T787 WeakPolarHBondContact O-CB 3.26Å; E784-T787 PolarHBondContact O-N 3.37Å; E784-D788 WeakPolarHBondContact O-CB 3.46Å; E784-D788 PolarHBondContact O-N 2.98Å |
| 785 | A | 86.5 | Confident | 80.8 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A781 L782 L789 V841 A844 | A781-A785 WeakPolarHBondContact O-CB 3.13Å; A781-A785 PolarHBondContact O-N 3.4Å; L782-A785 PolarHBondContact O-N 3.04Å; A785-L789 WeakPolarHBondContact O-CG 3.28Å; A785-L789 PolarHBondContact O-N 3.06Å; A785-V841 HydrophobicContact CB-CG2 4.19Å; A785-A844 HydrophobicContact CB-CB 3.59Å |
| 786 | C | 88.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 170.9 | -173.4 | 0 | 0 | 0 | 0 | 111.1 | L782 E784 L789 L790 L818 M840 | L782-C786 WeakPolarHBondContact O-CB 3.36Å; L782-C786 PolarHBondContact O-N 3Å; E784-C786 PolarHBondContact O-N 3.39Å; C786-L789 PolarHBondContact O-N 2.9Å; C786-L790 WeakPolarHBondContact O-CB 3.33Å; C786-L790 WeakPolarHBondContact O-CD1 3.45Å; C786-L790 WeakPolarHBondContact O-CG 3.33Å; C786-L790 PolarHBondContact O-N 2.84Å; C786-L818 HydrophobicContact CB-CD2 3.59Å; C786-M840 HydrophobicContact CB-CE 3.77Å |
| 787 | T | 80.3 | Confident | 81.3 | Confident | 8 Ų | 8 | 23.3 Ų | 23.3 | 5% | 0.049 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.4 | -51 | 174.2 | -61.2 | 0 | 0 | 0 | 0 | 111 | Y176 D783 E784 L789 L790 S791 P812 | Y176-T787 HydrophobicContact CD2-CG2 3.52Å; Y176-T787 HydrophobicContact CE2-CG2 3.48Å; Y176-T787 VanDerWaalsContact CE2-CG2 3.48Å; D783-T787 VanDerWaalsContact O-CB 3.31Å; D783-T787 WeakPolarHBondContact O-CB 3.2Å; D783-T787 PolarHBondContact O-N 2.89Å; D783-T787 PolarHBondContact O-OG1 2.58Å; E784-T787 CarbonylContact O-C 3.59Å; E784-T787 WeakPolarHBondContact O-CA 3.24Å; E784-T787 VanDerWaalsContact O-CB 3.32Å; E784-T787 WeakPolarHBondContact O-CB 3.26Å; E784-T787 PolarHBondContact O-N 3.37Å; T787-L789 PolarHBondContact O-N 3.14Å; T787-L790 CarbonylContact O-C 3.56Å; T787-L790 PolarHBondContact O-N 2.93Å; T787-S791 VanDerWaalsContact O-CB 3.27Å; T787-S791 WeakPolarHBondContact O-CB 3.24Å; T787-S791 PolarHBondContact O-N 2.73Å; T787-P812 HydrophobicContact CG2-CG 4.46Å |
| 788 | D | 79.8 | Confident | 81.7 | Confident | 14 Ų | 14 | 21.3 Ų | 21.3 | 8% | 0.075 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.4 | -51.3 | 179.4 | -90.8 | 1.8 | 0 | 0 | 0 | 110.4 | H237 E784 L790 S791 Y792 A844 R848 | H237-D788 IonicContact CE1-OD1 2.76Å; H237-D788 IonicContact ND1-OD1 3.15Å; E784-D788 WeakPolarHBondContact O-CB 3.46Å; E784-D788 PolarHBondContact O-N 2.98Å; D788-L790 PolarHBondContact O-N 3.32Å; D788-S791 WeakPolarHBondContact O-CA 3.44Å; D788-S791 VanDerWaalsContact O-CB 3.29Å; D788-S791 WeakPolarHBondContact O-CB 3.43Å; D788-S791 PolarHBondContact O-N 3.23Å; D788-S791 PolarHBondContact O-OG 3.01Å; D788-Y792 VanDerWaalsContact O-CD2 3.25Å; D788-Y792 WeakPolarHBondContact O-CD2 3.44Å; D788-Y792 PolarHBondContact O-N 3.48Å; D788-Y792 VanDerWaalsContact O-N 3.13Å; D788-A844 HydrophobicContact CB-CB 4.26Å; D788-R848 VanDerWaalsContact OD2-CD 3.24Å; D788-R848 WeakPolarHBondContact OD2-CD 3.33Å; D788-R848 IonicContact OD2-NE 3.42Å; D788-R848 PolarHBondContact OD2-NE 3.33Å; D788-R848 VanDerWaalsContact OD2-NE 3.12Å |
| 789 | L | 87.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | -179.4 | -70.4 | 171 | 0 | 0 | 0 | 112.6 | A785 C786 T787 S791 Y792 K794 L796 L843 A844 M847 L860 | A785-L789 WeakPolarHBondContact O-CG 3.28Å; A785-L789 PolarHBondContact O-N 3.06Å; C786-L789 PolarHBondContact O-N 2.9Å; T787-L789 PolarHBondContact O-N 3.14Å; L789-S791 PolarHBondContact O-N 3Å; L789-Y792 PolarHBondContact O-N 3.45Å; L789-K794 VanDerWaalsContact O-CB 3.24Å; L789-K794 WeakPolarHBondContact O-CB 3.29Å; L789-K794 WeakPolarHBondContact O-CG 3.28Å; L789-K794 PolarHBondContact O-N 3.18Å; L789-L796 HydrophobicContact CB-CD1 4.15Å; L789-L796 HydrophobicContact CB-CD2 3.95Å; L789-L796 HydrophobicContact CB-CG 4.44Å; L789-L796 HydrophobicContact CD1-CD1 4.1Å; L789-L796 HydrophobicContact CD1-CD2 3.92Å; L789-L843 HydrophobicContact CD1-CB 3.84Å; L789-L843 HydrophobicContact CD2-CB 4.07Å; L789-A844 HydrophobicContact CD1-CB 4.43Å; L789-A844 HydrophobicContact CD2-CB 4.47Å; L789-A844 HydrophobicContact CG-CB 4.08Å; L789-M847 HydrophobicContact CD2-CB 3.98Å; L789-M847 HydrophobicContact CD2-CE 3.81Å; L789-M847 HydrophobicContact CD2-CG 4.41Å; L789-L860 HydrophobicContact CD1-CD1 4.45Å; L789-L860 HydrophobicContact CD2-CD1 3.84Å |
| 790 | L | 81.8 | Confident | 82.5 | Confident | 18 Ų | 18 | 20.1 Ų | 20.1 | 9% | 0.094 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -33.4 | 174 | -70.3 | 163 | 0 | 0 | 0 | 111.2 | C786 T787 D788 Y792 Q793 K794 I809 A811 P812 | C786-L790 WeakPolarHBondContact O-CB 3.33Å; C786-L790 WeakPolarHBondContact O-CD1 3.45Å; C786-L790 WeakPolarHBondContact O-CG 3.33Å; C786-L790 PolarHBondContact O-N 2.84Å; T787-L790 CarbonylContact O-C 3.56Å; T787-L790 PolarHBondContact O-N 2.93Å; D788-L790 PolarHBondContact O-N 3.32Å; L790-Y792 VanDerWaalsContact C-N 3.31Å; L790-Y792 PolarHBondContact O-N 3.23Å; L790-Q793 WeakPolarHBondContact O-CA 3.46Å; L790-Q793 PolarHBondContact O-N 2.86Å; L790-K794 WeakPolarHBondContact CD2-O 3.19Å; L790-I809 HydrophobicContact CD1-CG2 4.21Å; L790-A811 VanDerWaalsContact CD1-C 3.46Å; L790-P812 HydrophobicContact CB-CG 4.31Å; L790-P812 HydrophobicContact CD1-CB 4.21Å; L790-P812 HydrophobicContact CD1-CG 3.78Å |
| 791 | S | 73 | Confident | 82.7 | Confident | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.028 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 178.5 | 85.3 | 0 | 0 | 0 | 0 | 111.6 | S244 T787 D788 L789 Q793 | S244-S791 VanDerWaalsContact CB-O 3.31Å; S244-S791 WeakPolarHBondContact CB-O 3.31Å; S244-S791 PolarHBondContact OG-O 3.37Å; T787-S791 VanDerWaalsContact O-CB 3.27Å; T787-S791 WeakPolarHBondContact O-CB 3.24Å; T787-S791 PolarHBondContact O-N 2.73Å; D788-S791 WeakPolarHBondContact O-CA 3.44Å; D788-S791 VanDerWaalsContact O-CB 3.29Å; D788-S791 WeakPolarHBondContact O-CB 3.43Å; D788-S791 PolarHBondContact O-N 3.23Å; D788-S791 PolarHBondContact O-OG 3.01Å; L789-S791 PolarHBondContact O-N 3Å; S791-Q793 PolarHBondContact O-N 3.14Å; S791-Q793 PolarHBondContact O-NE2 3.22Å |
| 792 | Y | 78.1 | Confident | 82.6 | Confident | 52 Ų | 52 | 23.1 Ų | 23.1 | 20% | 0.204 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 23.6 | 173.3 | -72.6 | -81.8 | 0 | 0 | 0 | 113.5 | D788 L789 L790 K794 M847 | D788-Y792 VanDerWaalsContact O-CD2 3.25Å; D788-Y792 WeakPolarHBondContact O-CD2 3.44Å; D788-Y792 PolarHBondContact O-N 3.48Å; D788-Y792 VanDerWaalsContact O-N 3.13Å; L789-Y792 PolarHBondContact O-N 3.45Å; L790-Y792 VanDerWaalsContact C-N 3.31Å; L790-Y792 PolarHBondContact O-N 3.23Å; Y792-K794 VanDerWaalsContact C-N 3.29Å; Y792-K794 WeakPolarHBondContact O-CD 3.3Å; Y792-K794 VanDerWaalsContact O-CE 3.3Å; Y792-K794 WeakPolarHBondContact O-CE 3.21Å; Y792-K794 PolarHBondContact O-N 3.43Å; Y792-M847 HydrophobicContact CD1-CG 4.16Å; Y792-M847 HydrophobicContact CD1-SD 4.3Å; Y792-M847 HydrophobicContact CD2-CB 4.34Å; Y792-M847 HydrophobicContact CD2-CG 3.18Å; Y792-M847 HydrophobicContact CD2-SD 4.23Å; Y792-M847 HydrophobicContact CE2-CG 3.78Å; Y792-M847 HydrophobicContact CG-CG 3.42Å; Y792-M847 VanDerWaalsContact CG-CG 3.42Å; Y792-M847 HydrophobicContact CG-SD 3.82Å |
| 793 | Q | 76.3 | Confident | 81.7 | Confident | 27 Ų | 27 | 29.3 Ų | 29.3 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 37.3 | 178.4 | -54.6 | -60.7 | -59.9 | 0 | 0 | 112.8 | L790 S791 I1064 | L790-Q793 WeakPolarHBondContact O-CA 3.46Å; L790-Q793 PolarHBondContact O-N 2.86Å; S791-Q793 PolarHBondContact O-N 3.14Å; S791-Q793 PolarHBondContact O-NE2 3.22Å; Q793-I1064 HydrophobicContact CB-CD1 4.24Å; Q793-I1064 HydrophobicContact CG-CD1 4.13Å |
| 794 | K | 84.8 | Confident | 81.4 | Confident | 24 Ų | 24 | 32 Ų | 32 | 10% | 0.104 | 17% | 0.174 | C | C | . | . | trans | -107.9 | 108.1 | 176.3 | -47.1 | -54.8 | 178.9 | -176.9 | 0 | 110.8 | L789 L790 Y792 M847 F854 M857 F858 L860 | L789-K794 VanDerWaalsContact O-CB 3.24Å; L789-K794 WeakPolarHBondContact O-CB 3.29Å; L789-K794 WeakPolarHBondContact O-CG 3.28Å; L789-K794 PolarHBondContact O-N 3.18Å; L790-K794 WeakPolarHBondContact CD2-O 3.19Å; Y792-K794 VanDerWaalsContact C-N 3.29Å; Y792-K794 WeakPolarHBondContact O-CD 3.3Å; Y792-K794 VanDerWaalsContact O-CE 3.3Å; Y792-K794 WeakPolarHBondContact O-CE 3.21Å; Y792-K794 PolarHBondContact O-N 3.43Å; K794-M847 HydrophobicContact CD-CE 4.23Å; K794-M847 HydrophobicContact CG-CE 3.54Å; K794-F854 PolarHBondContact NZ-O 2.63Å; K794-M857 WeakPolarHBondContact CD-O 3.21Å; K794-M857 WeakPolarHBondContact CE-O 3.44Å; K794-M857 PolarHBondContact NZ-O 3.01Å; K794-F858 WeakPolarHBondContact CA-O 3.46Å; K794-L860 HydrophobicContact CB-CD1 4.12Å; K794-L860 HydrophobicContact CB-CG 4.11Å; K794-L860 HydrophobicContact CG-CD1 4.39Å | ||
| 795 | H | 84.8 | Confident | 81.5 | Confident | 36 Ų | 36 | 34.6 Ų | 34.6 | 17% | 0.167 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 144.2 | 165.7 | -68 | -68.3 | 0 | 0 | 0 | 110 | F858 R859 L860 | H795-F858 PolarHBondContact N-O 2.81Å; H795-R859 HydrophobicContact CB-CB 4.36Å; H795-R859 HydrophobicContact CB-CG 4.24Å; H795-R859 CarbonylContact O-C 3.56Å; H795-R859 VanDerWaalsContact O-CA 3.26Å; H795-R859 WeakPolarHBondContact O-CA 3.38Å; H795-L860 PolarHBondContact O-N 2.79Å |
| 796 | L | 90.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 146.2 | 178.6 | -53.4 | 178.2 | 0 | 0 | 0 | 110.1 | L789 I809 M840 L860 I862 | L789-L796 HydrophobicContact CB-CD1 4.15Å; L789-L796 HydrophobicContact CB-CD2 3.95Å; L789-L796 HydrophobicContact CB-CG 4.44Å; L789-L796 HydrophobicContact CD1-CD1 4.1Å; L789-L796 HydrophobicContact CD1-CD2 3.92Å; L796-I809 HydrophobicContact CB-CB 4.22Å; L796-I809 HydrophobicContact CB-CD1 4.35Å; L796-I809 PolarHBondContact N-O 3.13Å; L796-I809 PolarHBondContact O-N 3.19Å; L796-M840 HydrophobicContact CD1-CE 4.06Å; L796-L860 HydrophobicContact CD2-CB 3.82Å; L796-L860 HydrophobicContact CD2-CD1 3.88Å; L796-L860 HydrophobicContact CD2-CG 4.11Å; L796-I862 HydrophobicContact CB-CD1 4.33Å |
| 797 | T | 91 | Very high | 81.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143 | 161.5 | 70.7 | 0 | 0 | 0 | 0 | 110.9 | E806 K807 T808 R859 L860 R861 I862 | T797-E806 VanDerWaalsContact CB-OE1 3.3Å; T797-E806 WeakPolarHBondContact CB-OE1 3.42Å; T797-E806 HydrophobicContact CG2-CG 4.27Å; T797-E806 PolarHBondContact OG1-OE1 3.47Å; T797-K807 CarbonylContact C-O 3.57Å; T797-K807 WeakPolarHBondContact CA-O 3.36Å; T797-K807 WeakPolarHBondContact CB-O 3.26Å; T797-T808 HydrophobicContact CG2-CG2 4.44Å; T797-R859 HydrophobicContact CG2-CG 4.15Å; T797-L860 PolarHBondContact N-O 3.26Å; T797-R861 WeakPolarHBondContact OG1-CA 3.36Å; T797-R861 WeakPolarHBondContact OG1-CB 3.49Å; T797-R861 WeakPolarHBondContact OG1-CG 3.48Å; T797-I862 WeakPolarHBondContact O-CB 3.36Å; T797-I862 PolarHBondContact O-N 2.74Å |
| 798 | V | 92.8 | Very high | 82 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 155.8 | 177.4 | -65.6 | 0 | 0 | 0 | 0 | 109.7 | E806 K807 I809 L821 I822 A825 T836 M840 I862 | V798-E806 CarbonylContact O-C 3.6Å; V798-E806 WeakPolarHBondContact O-CA 3.41Å; V798-K807 HydrophobicContact CG2-CB 4.08Å; V798-K807 PolarHBondContact N-O 2.93Å; V798-K807 PolarHBondContact O-N 3.27Å; V798-I809 HydrophobicContact CG1-CD1 4.22Å; V798-I809 HydrophobicContact CG2-CD1 4.38Å; V798-L821 HydrophobicContact CG2-CD2 3.36Å; V798-I822 HydrophobicContact CG1-CG1 4.3Å; V798-I822 HydrophobicContact CG2-CG1 4.33Å; V798-A825 HydrophobicContact CB-CB 4.27Å; V798-A825 HydrophobicContact CG2-CB 3.71Å; V798-T836 HydrophobicContact CB-CG2 4.02Å; V798-T836 HydrophobicContact CG1-CG2 3.58Å; V798-M840 HydrophobicContact CG1-SD 4.21Å; V798-I862 HydrophobicContact CG1-CB 4.41Å; V798-I862 HydrophobicContact CG1-CD1 3.65Å |
| 799 | G | 87.6 | Confident | 82.4 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 78 | 176.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A825 G863 | G799-A825 WeakPolarHBondContact CA-O 3.49Å; G799-G863 WeakPolarHBondContact O-CA 3.35Å |
| 800 | L | 82.8 | Confident | 81.7 | Confident | 60 Ų | 60 | 43.3 Ų | 43.3 | 31% | 0.314 | 23% | 0.232 | S | C | . | . | trans | -100.5 | 144.7 | 179.9 | -71.6 | 171.8 | 0 | 0 | 0 | 111.7 | R805 E806 G863 L864 Q867 | L800-R805 VanDerWaalsContact O-CB 3.26Å; L800-R805 WeakPolarHBondContact O-CB 3.49Å; L800-E806 PolarHBondContact O-N 3.44Å; L800-G863 WeakPolarHBondContact CD2-O 3.36Å; L800-L864 HydrophobicContact CD2-CD2 4.26Å; L800-Q867 HydrophobicContact CD2-CB 4.16Å | ||
| 801 | P | 73.1 | Confident | 81.3 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -67.1 | 160 | 175.7 | 25.1 | -32.6 | 0 | 0 | 0 | 113.7 | L864 | P801-L864 HydrophobicContact CG-CD1 4.34Å; P801-L864 HydrophobicContact CG-CD2 3.79Å; P801-L864 HydrophobicContact CG-CG 4.21Å |
| 802 | P | 70.5 | Confident | 81.4 | Confident | 96 Ų | 96 | 45.8 Ų | 45.8 | 62% | 0.623 | 25% | 0.253 | S | S | * | . | S | Bend | cis | -83.3 | 174.9 | -4.1 | 34.5 | -36 | 0 | 0 | 0 | 113.3 | R805 | P802-R805 WeakPolarHBondContact O-CB 3.5Å; P802-R805 PolarHBondContact O-N 3.27Å |
| 803 | E | 67.8 | Low | 81.4 | Confident | 130 Ų | 130 | 45.8 Ų | 45.8 | 61% | 0.607 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 142.6 | 163.4 | -65.1 | -179.4 | 168.6 | 0 | 0 | 110.3 | ||
| 804 | P | 74.7 | Confident | 81.3 | Confident | 102 Ų | 102 | 47.5 Ų | 47.5 | 66% | 0.662 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92.9 | 7.6 | 13.3 | 38 | -38.1 | 0 | 0 | 0 | 115.1 | K807 | P804-K807 WeakPolarHBondContact O-CE 3.5Å; P804-K807 PolarHBondContact O-NZ 2.85Å |
| 805 | R | 80.3 | Confident | 81.2 | Confident | 109 Ų | 109 | 47.6 Ų | 47.6 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -47.9 | 180 | -58.1 | 175.5 | 74.2 | -165.6 | 7.2 | 110.8 | L800 P802 E827 | L800-R805 VanDerWaalsContact O-CB 3.26Å; L800-R805 WeakPolarHBondContact O-CB 3.49Å; P802-R805 WeakPolarHBondContact O-CB 3.5Å; P802-R805 PolarHBondContact O-N 3.27Å; R805-E827 IonicContact CZ-OE1 3.23Å; R805-E827 IonicContact NE-OE1 2.68Å; R805-E827 PolarHBondContact NE-OE1 3.37Å; R805-E827 IonicContact NH2-OE1 2.69Å; R805-E827 PolarHBondContact NH2-OE1 3.16Å; R805-E827 IonicContact NH2-OE2 3.44Å |
| 806 | E | 87.8 | Confident | 81.1 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -68.4 | 131.2 | 167.7 | -173.4 | 173.3 | -153.4 | 0 | 0 | 110.3 | T797 V798 L800 R861 | T797-E806 VanDerWaalsContact CB-OE1 3.3Å; T797-E806 WeakPolarHBondContact CB-OE1 3.42Å; T797-E806 HydrophobicContact CG2-CG 4.27Å; T797-E806 PolarHBondContact OG1-OE1 3.47Å; V798-E806 CarbonylContact O-C 3.6Å; V798-E806 WeakPolarHBondContact O-CA 3.41Å; L800-E806 PolarHBondContact O-N 3.44Å; E806-R861 VanDerWaalsContact CD-NH2 3.31Å; E806-R861 IonicContact OE1-CZ 2.67Å; E806-R861 IonicContact OE1-NE 2.72Å; E806-R861 PolarHBondContact OE1-NE 3.06Å; E806-R861 IonicContact OE1-NH2 3.59Å; E806-R861 PolarHBondContact OE1-NH2 3.14Å; E806-R861 VanDerWaalsContact OE1-NH2 3.14Å; E806-R861 IonicContact OE2-CZ 2.69Å; E806-R861 IonicContact OE2-NE 2.88Å; E806-R861 IonicContact OE2-NH2 3.07Å; E806-R861 PolarHBondContact OE2-NH2 2.79Å |
| 807 | K | 89.4 | Confident | 80.8 | Confident | 59 Ų | 59 | 54 Ų | 54 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.1 | 173.9 | -54.5 | -59.1 | -169.5 | -164.4 | 0 | 109.7 | T797 V798 P804 L821 A825 | T797-K807 CarbonylContact C-O 3.57Å; T797-K807 WeakPolarHBondContact CA-O 3.36Å; T797-K807 WeakPolarHBondContact CB-O 3.26Å; V798-K807 HydrophobicContact CG2-CB 4.08Å; V798-K807 PolarHBondContact N-O 2.93Å; V798-K807 PolarHBondContact O-N 3.27Å; P804-K807 WeakPolarHBondContact O-CE 3.5Å; P804-K807 PolarHBondContact O-NZ 2.85Å; K807-L821 HydrophobicContact CB-CD2 3.58Å; K807-L821 HydrophobicContact CB-CG 4.17Å; K807-L821 HydrophobicContact CG-CD2 4.14Å; K807-L821 HydrophobicContact CG-CG 4.44Å; K807-A825 HydrophobicContact CB-CB 4.36Å; K807-A825 HydrophobicContact CG-CB 3.68Å |
| 808 | T | 87.4 | Confident | 80.8 | Confident | 50 Ų | 50 | 54 Ų | 54 | 31% | 0.307 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 133.7 | 175 | -62 | 0 | 0 | 0 | 0 | 111 | T797 | T797-T808 HydrophobicContact CG2-CG2 4.44Å |
| 809 | I | 87.8 | Confident | 80.6 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 111.6 | 168.9 | -52.5 | 159.9 | 0 | 0 | 0 | 106.8 | L790 L796 V798 A811 L813 L818 L821 | L790-I809 HydrophobicContact CD1-CG2 4.21Å; L796-I809 HydrophobicContact CB-CB 4.22Å; L796-I809 HydrophobicContact CB-CD1 4.35Å; L796-I809 PolarHBondContact N-O 3.13Å; L796-I809 PolarHBondContact O-N 3.19Å; V798-I809 HydrophobicContact CG1-CD1 4.22Å; V798-I809 HydrophobicContact CG2-CD1 4.38Å; I809-A811 WeakPolarHBondContact CG2-O 3.17Å; I809-L813 HydrophobicContact CG2-CD1 4.11Å; I809-L813 HydrophobicContact CG2-CG 4.32Å; I809-L818 HydrophobicContact CD1-CD1 3.64Å; I809-L821 HydrophobicContact CD1-CD2 4.14Å; I809-L821 HydrophobicContact CG1-CD1 4.17Å; I809-L821 HydrophobicContact CG1-CD2 3.89Å |
| 810 | S | 74 | Confident | 80.7 | Confident | 86 Ų | 86 | 61 Ų | 61 | 60% | 0.601 | 34% | 0.338 | S | S | * | . | trans | -109.7 | -13.3 | -174.5 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 811 | A | 72.9 | Confident | 81.1 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -143 | 154.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109 | L790 I809 L813 | L790-A811 VanDerWaalsContact CD1-C 3.46Å; I809-A811 WeakPolarHBondContact CG2-O 3.17Å; A811-L813 PolarHBondContact O-N 2.74Å |
| 812 | P | 74.6 | Confident | 82.1 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | trans | -64.3 | 137.6 | -179.7 | -24 | 36.9 | 0 | 0 | 0 | 111.1 | K177 T787 L790 | K177-P812 HydrophobicContact CB-CB 3.77Å; K177-P812 HydrophobicContact CB-CG 3.55Å; K177-P812 HydrophobicContact CD-CB 4.28Å; T787-P812 HydrophobicContact CG2-CG 4.46Å; L790-P812 HydrophobicContact CB-CG 4.31Å; L790-P812 HydrophobicContact CD1-CB 4.21Å; L790-P812 HydrophobicContact CD1-CG 3.78Å | ||
| 813 | L | 79.3 | Confident | 83 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | trans | -113.4 | 143.8 | -176.6 | -65.5 | 176.8 | 0 | 0 | 0 | 110.2 | I809 A811 A817 L818 L821 | I809-L813 HydrophobicContact CG2-CD1 4.11Å; I809-L813 HydrophobicContact CG2-CG 4.32Å; A811-L813 PolarHBondContact O-N 2.74Å; L813-A817 HydrophobicContact CB-CB 4.44Å; L813-L818 HydrophobicContact CB-CB 4.07Å; L813-L818 HydrophobicContact CD1-CD1 4.43Å; L813-L821 HydrophobicContact CD1-CD1 3.79Å | ||
| 814 | P | 74.7 | Confident | 84 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 42% | 0.416 | 30% | 0.297 | S | S | . | . | trans | -56.2 | 149.7 | 167.2 | -22.6 | 33.2 | 0 | 0 | 0 | 111.5 | E816 A817 L818 | P814-E816 PolarHBondContact O-N 2.91Å; P814-A817 PolarHBondContact O-N 3.14Å; P814-L818 PolarHBondContact O-N 3.26Å | ||
| 815 | Y | 81.3 | Confident | 84.8 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -44.7 | -53.4 | -177 | -173.1 | -80.9 | 0 | 0 | 0 | 113.6 | K778 V779 L782 A817 L818 T819 | K778-Y815 WeakPolarHBondContact CA-OH 3.49Å; K778-Y815 HydrophobicContact CB-CE1 4.47Å; K778-Y815 HydrophobicContact CB-CE2 4.45Å; K778-Y815 HydrophobicContact CD-CD1 4.17Å; K778-Y815 HydrophobicContact CD-CE1 3.93Å; K778-Y815 HydrophobicContact CG-CE1 3.83Å; V779-Y815 PolarHBondContact N-OH 3.25Å; V779-Y815 VanDerWaalsContact N-OH 3.08Å; V779-Y815 WeakPolarHBondContact O-CE2 3.39Å; L782-Y815 HydrophobicContact CB-CD2 4.22Å; L782-Y815 HydrophobicContact CB-CE2 3.85Å; L782-Y815 HydrophobicContact CD2-CE2 4.02Å; Y815-A817 VanDerWaalsContact C-N 3.32Å; Y815-A817 PolarHBondContact O-N 3.05Å; Y815-L818 PolarHBondContact O-N 3.21Å; Y815-T819 VanDerWaalsContact CE1-OG1 3.27Å; Y815-T819 WeakPolarHBondContact CE1-OG1 3.41Å; Y815-T819 PolarHBondContact O-N 3.48Å; Y815-T819 PolarHBondContact O-OG1 3.25Å |
| 816 | E | 82.6 | Confident | 85.2 | Confident | 124 Ų | 124 | 45 Ų | 45 | 58% | 0.579 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.4 | -35.7 | -177.1 | -66.6 | 74.6 | -152.8 | 0 | 0 | 113.1 | K778 P814 K820 | K778-E816 IonicContact NZ-OE1 2.67Å; K778-E816 PolarHBondContact NZ-OE1 3.23Å; P814-E816 PolarHBondContact O-N 2.91Å; E816-K820 WeakPolarHBondContact O-CB 3.31Å; E816-K820 PolarHBondContact O-N 3.49Å |
| 817 | A | 85.2 | Confident | 85.1 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 37% | 0.372 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.5 | -37.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L813 P814 Y815 L821 | L813-A817 HydrophobicContact CB-CB 4.44Å; P814-A817 PolarHBondContact O-N 3.14Å; Y815-A817 VanDerWaalsContact C-N 3.32Å; Y815-A817 PolarHBondContact O-N 3.05Å; A817-L821 WeakPolarHBondContact O-CB 3.13Å; A817-L821 PolarHBondContact O-N 3.14Å; A817-L821 VanDerWaalsContact O-N 3.12Å |
| 818 | L | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.8 | -51 | 178.3 | -178.2 | 55 | 0 | 0 | 0 | 111.9 | L782 C786 I809 L813 P814 Y815 K820 L821 I822 M840 | L782-L818 HydrophobicContact CD2-CD2 4.29Å; L782-L818 HydrophobicContact CD2-CG 4.44Å; L782-L818 HydrophobicContact CG-CD2 3.87Å; C786-L818 HydrophobicContact CB-CD2 3.59Å; I809-L818 HydrophobicContact CD1-CD1 3.64Å; L813-L818 HydrophobicContact CB-CB 4.07Å; L813-L818 HydrophobicContact CD1-CD1 4.43Å; P814-L818 PolarHBondContact O-N 3.26Å; Y815-L818 PolarHBondContact O-N 3.21Å; L818-K820 VanDerWaalsContact C-N 3.32Å; L818-K820 PolarHBondContact O-N 3.32Å; L818-L821 PolarHBondContact O-N 2.68Å; L818-I822 HydrophobicContact CD1-CD1 4.11Å; L818-I822 HydrophobicContact CD1-CG1 4.44Å; L818-I822 HydrophobicContact CG-CD1 4.11Å; L818-I822 WeakPolarHBondContact O-CG1 3.24Å; L818-I822 PolarHBondContact O-N 3.13Å; L818-M840 HydrophobicContact CD1-CE 4.22Å; L818-M840 HydrophobicContact CD2-CE 4.1Å |
| 819 | T | 89.1 | Confident | 84.2 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59 | -44 | 177.4 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | Y815 L821 I822 D823 | Y815-T819 VanDerWaalsContact CE1-OG1 3.27Å; Y815-T819 WeakPolarHBondContact CE1-OG1 3.41Å; Y815-T819 PolarHBondContact O-N 3.48Å; Y815-T819 PolarHBondContact O-OG1 3.25Å; T819-L821 VanDerWaalsContact C-N 3.33Å; T819-L821 PolarHBondContact O-N 2.66Å; T819-I822 PolarHBondContact O-N 3.39Å; T819-I822 VanDerWaalsContact O-N 3.14Å; T819-D823 PolarHBondContact O-N 2.79Å |
| 820 | K | 89.7 | Confident | 84.1 | Confident | 131 Ų | 131 | 52.6 Ų | 52.6 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.2 | -42.5 | 177.2 | -173.4 | -173.4 | 178.6 | -151.3 | 0 | 112.5 | E816 L818 I822 D823 E824 | E816-K820 WeakPolarHBondContact O-CB 3.31Å; E816-K820 PolarHBondContact O-N 3.49Å; L818-K820 VanDerWaalsContact C-N 3.32Å; L818-K820 PolarHBondContact O-N 3.32Å; K820-I822 VanDerWaalsContact C-N 3.32Å; K820-D823 PolarHBondContact O-N 2.81Å; K820-E824 WeakPolarHBondContact CE-OE1 3.5Å; K820-E824 IonicContact NZ-OE1 2.71Å; K820-E824 PolarHBondContact NZ-OE1 3.45Å; K820-E824 WeakPolarHBondContact O-CG 3.47Å; K820-E824 PolarHBondContact O-N 3.26Å |
| 821 | L | 91.9 | Very high | 84.6 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 177.7 | -174.9 | 159.7 | 0 | 0 | 0 | 111.4 | V798 K807 I809 L813 A817 L818 T819 A825 | V798-L821 HydrophobicContact CG2-CD2 3.36Å; K807-L821 HydrophobicContact CB-CD2 3.58Å; K807-L821 HydrophobicContact CB-CG 4.17Å; K807-L821 HydrophobicContact CG-CD2 4.14Å; K807-L821 HydrophobicContact CG-CG 4.44Å; I809-L821 HydrophobicContact CD1-CD2 4.14Å; I809-L821 HydrophobicContact CG1-CD1 4.17Å; I809-L821 HydrophobicContact CG1-CD2 3.89Å; L813-L821 HydrophobicContact CD1-CD1 3.79Å; A817-L821 WeakPolarHBondContact O-CB 3.13Å; A817-L821 PolarHBondContact O-N 3.14Å; A817-L821 VanDerWaalsContact O-N 3.12Å; L818-L821 PolarHBondContact O-N 2.68Å; T819-L821 VanDerWaalsContact C-N 3.33Å; T819-L821 PolarHBondContact O-N 2.66Å; L821-A825 WeakPolarHBondContact O-CB 3.46Å; L821-A825 PolarHBondContact O-N 2.89Å |
| 822 | I | 92.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 175.4 | -65 | 168.1 | 0 | 0 | 0 | 111.3 | L782 V798 L818 T819 K820 E824 A825 S826 T836 Q837 M840 | L782-I822 HydrophobicContact CD2-CD1 4.4Å; V798-I822 HydrophobicContact CG1-CG1 4.3Å; V798-I822 HydrophobicContact CG2-CG1 4.33Å; L818-I822 HydrophobicContact CD1-CD1 4.11Å; L818-I822 HydrophobicContact CD1-CG1 4.44Å; L818-I822 HydrophobicContact CG-CD1 4.11Å; L818-I822 WeakPolarHBondContact O-CG1 3.24Å; L818-I822 PolarHBondContact O-N 3.13Å; T819-I822 PolarHBondContact O-N 3.39Å; T819-I822 VanDerWaalsContact O-N 3.14Å; K820-I822 VanDerWaalsContact C-N 3.32Å; I822-E824 PolarHBondContact O-N 2.72Å; I822-A825 PolarHBondContact O-N 3.32Å; I822-S826 WeakPolarHBondContact O-CB 3.29Å; I822-S826 PolarHBondContact O-N 2.74Å; I822-S826 PolarHBondContact O-OG 3.04Å; I822-T836 HydrophobicContact CG1-CG2 4.43Å; I822-T836 HydrophobicContact CG2-CG2 3.79Å; I822-Q837 HydrophobicContact CD1-CG 3.69Å; I822-Q837 HydrophobicContact CG2-CG 4.27Å; I822-M840 HydrophobicContact CD1-SD 3.81Å |
| 823 | D | 89.8 | Confident | 86 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 23% | 0.225 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 176.4 | -68.8 | -19.8 | 0 | 0 | 0 | 111.5 | T819 K820 A825 S826 E827 G828 S833 | T819-D823 PolarHBondContact O-N 2.79Å; K820-D823 PolarHBondContact O-N 2.81Å; D823-A825 VanDerWaalsContact C-N 3.34Å; D823-A825 PolarHBondContact O-N 3.24Å; D823-S826 PolarHBondContact O-N 3.21Å; D823-E827 PolarHBondContact O-N 3.2Å; D823-G828 PolarHBondContact O-N 3.34Å; D823-S833 WeakPolarHBondContact OD1-CB 3.45Å; D823-S833 PolarHBondContact OD1-OG 3.2Å |
| 824 | E | 90.4 | Very high | 86.5 | Confident | 104 Ų | 104 | 48.1 Ų | 48.1 | 49% | 0.486 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 174.8 | -74.7 | 179 | -162.6 | 0 | 0 | 112.5 | K820 I822 S826 | K820-E824 WeakPolarHBondContact CE-OE1 3.5Å; K820-E824 IonicContact NZ-OE1 2.71Å; K820-E824 PolarHBondContact NZ-OE1 3.45Å; K820-E824 WeakPolarHBondContact O-CG 3.47Å; K820-E824 PolarHBondContact O-N 3.26Å; I822-E824 PolarHBondContact O-N 2.72Å; E824-S826 VanDerWaalsContact C-N 3.31Å |
| 825 | A | 90.5 | Very high | 87.3 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75 | -19.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | V798 G799 K807 L821 I822 D823 | V798-A825 HydrophobicContact CB-CB 4.27Å; V798-A825 HydrophobicContact CG2-CB 3.71Å; G799-A825 WeakPolarHBondContact CA-O 3.49Å; K807-A825 HydrophobicContact CB-CB 4.36Å; K807-A825 HydrophobicContact CG-CB 3.68Å; L821-A825 WeakPolarHBondContact O-CB 3.46Å; L821-A825 PolarHBondContact O-N 2.89Å; I822-A825 PolarHBondContact O-N 3.32Å; D823-A825 VanDerWaalsContact C-N 3.34Å; D823-A825 PolarHBondContact O-N 3.24Å |
| 826 | S | 88.6 | Confident | 87.9 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 5.6 | -180 | -53 | 0 | 0 | 0 | 0 | 112.8 | I822 D823 E824 G828 D829 S833 | I822-S826 WeakPolarHBondContact O-CB 3.29Å; I822-S826 PolarHBondContact O-N 2.74Å; I822-S826 PolarHBondContact O-OG 3.04Å; D823-S826 PolarHBondContact O-N 3.21Å; E824-S826 VanDerWaalsContact C-N 3.31Å; S826-G828 PolarHBondContact O-N 2.99Å; S826-G828 VanDerWaalsContact O-N 3.1Å; S826-D829 WeakPolarHBondContact O-CB 3.45Å; S826-D829 PolarHBondContact O-N 3.23Å; S826-S833 WeakPolarHBondContact OG-CA 3.38Å; S826-S833 PolarHBondContact OG-N 2.62Å |
| 827 | E | 85.6 | Confident | 88.4 | Confident | 128 Ų | 128 | 38.4 Ų | 38.4 | 60% | 0.598 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 25.2 | -180 | -69.3 | 167.1 | -142.4 | 0 | 0 | 114.2 | R805 D823 D829 | R805-E827 IonicContact CZ-OE1 3.23Å; R805-E827 IonicContact NE-OE1 2.68Å; R805-E827 PolarHBondContact NE-OE1 3.37Å; R805-E827 IonicContact NH2-OE1 2.69Å; R805-E827 PolarHBondContact NH2-OE1 3.16Å; R805-E827 IonicContact NH2-OE2 3.44Å; D823-E827 PolarHBondContact O-N 3.2Å; E827-D829 VanDerWaalsContact C-N 3.33Å |
| 828 | G | 74.7 | Confident | 88.7 | Confident | 53 Ų | 53 | 36.3 Ų | 36.3 | 55% | 0.546 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 3.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D823 S826 M830 | D823-G828 PolarHBondContact O-N 3.34Å; S826-G828 PolarHBondContact O-N 2.99Å; S826-G828 VanDerWaalsContact O-N 3.1Å; G828-M830 PolarHBondContact O-N 3.42Å |
| 829 | D | 83.6 | Confident | 88.9 | Confident | 67 Ų | 67 | 36.3 Ų | 36.3 | 36% | 0.358 | 19% | 0.194 | S | C | . | . | trans | -72.3 | 106.9 | 169.5 | -171.8 | -43.2 | 0 | 0 | 0 | 110 | S826 E827 N831 I832 S833 | S826-D829 WeakPolarHBondContact O-CB 3.45Å; S826-D829 PolarHBondContact O-N 3.23Å; E827-D829 VanDerWaalsContact C-N 3.33Å; D829-N831 VanDerWaalsContact C-N 3.29Å; D829-N831 PolarHBondContact O-N 3.09Å; D829-N831 WeakPolarHBondContact OD1-CA 3.39Å; D829-N831 WeakPolarHBondContact OD1-CB 3.34Å; D829-N831 PolarHBondContact OD1-N 3.29Å; D829-I832 HydrophobicContact CB-CB 4.07Å; D829-I832 HydrophobicContact CB-CD1 4.01Å; D829-I832 HydrophobicContact CB-CG1 4.15Å; D829-I832 PolarHBondContact O-N 2.96Å; D829-I832 PolarHBondContact OD1-N 3.08Å; D829-I832 WeakPolarHBondContact OD2-CD1 3.33Å; D829-S833 PolarHBondContact O-N 3.25Å | ||
| 830 | M | 84.6 | Confident | 89.2 | Confident | 38 Ų | 38 | 35.1 Ų | 35.1 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.5 | -27.7 | -176.3 | -142 | 73.7 | 69.8 | 0 | 0 | 113 | G773 G828 T834 | G773-M830 VanDerWaalsContact CA-CG 3.4Å; G828-M830 PolarHBondContact O-N 3.42Å; M830-T834 WeakPolarHBondContact O-CB 3.47Å; M830-T834 PolarHBondContact O-N 3.24Å; M830-T834 PolarHBondContact O-OG1 2.68Å |
| 831 | N | 84.8 | Confident | 89.2 | Confident | 43 Ų | 43 | 29.7 Ų | 29.7 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.1 | -43.5 | 177.8 | -67.3 | -28.9 | 0 | 0 | 0 | 110.2 | Y770 D829 T834 L835 M889 | Y770-N831 WeakPolarHBondContact CA-OD1 3.37Å; Y770-N831 WeakPolarHBondContact CB-OD1 3.16Å; Y770-N831 PolarHBondContact N-OD1 3.21Å; D829-N831 VanDerWaalsContact C-N 3.29Å; D829-N831 PolarHBondContact O-N 3.09Å; D829-N831 WeakPolarHBondContact OD1-CA 3.39Å; D829-N831 WeakPolarHBondContact OD1-CB 3.34Å; D829-N831 PolarHBondContact OD1-N 3.29Å; N831-T834 PolarHBondContact O-N 3.32Å; N831-L835 VanDerWaalsContact O-CB 3.23Å; N831-L835 WeakPolarHBondContact O-CB 3.49Å; N831-L835 PolarHBondContact O-N 3.44Å; N831-M889 HydrophobicContact CB-CE 3.94Å; N831-M889 HydrophobicContact CB-SD 4.06Å |
| 832 | I | 86.9 | Confident | 89.3 | Confident | 65 Ų | 65 | 28 Ų | 28 | 33% | 0.333 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 175.2 | -63.8 | 175.9 | 0 | 0 | 0 | 111 | D829 T836 M889 | D829-I832 HydrophobicContact CB-CB 4.07Å; D829-I832 HydrophobicContact CB-CD1 4.01Å; D829-I832 HydrophobicContact CB-CG1 4.15Å; D829-I832 PolarHBondContact O-N 2.96Å; D829-I832 PolarHBondContact OD1-N 3.08Å; D829-I832 WeakPolarHBondContact OD2-CD1 3.33Å; I832-T836 VanDerWaalsContact O-CB 3.27Å; I832-T836 WeakPolarHBondContact O-CB 3.43Å; I832-T836 PolarHBondContact O-N 3.47Å; I832-T836 PolarHBondContact O-OG1 3.06Å; I832-M889 HydrophobicContact CG1-CE 3.94Å |
| 833 | S | 90.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.4 | -50.5 | 174.6 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | D823 S826 D829 L835 T836 Q837 | D823-S833 WeakPolarHBondContact OD1-CB 3.45Å; D823-S833 PolarHBondContact OD1-OG 3.2Å; S826-S833 WeakPolarHBondContact OG-CA 3.38Å; S826-S833 PolarHBondContact OG-N 2.62Å; D829-S833 PolarHBondContact O-N 3.25Å; S833-L835 PolarHBondContact O-N 3.38Å; S833-T836 WeakPolarHBondContact O-CB 3.36Å; S833-T836 PolarHBondContact O-N 2.89Å; S833-Q837 WeakPolarHBondContact O-CG 3.37Å; S833-Q837 PolarHBondContact O-N 2.87Å; S833-Q837 VanDerWaalsContact O-N 3.11Å; S833-Q837 PolarHBondContact O-NE2 3.3Å; S833-Q837 PolarHBondContact OG-NE2 3.31Å; S833-Q837 VanDerWaalsContact OG-NE2 3.12Å |
| 834 | T | 90.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | -179.4 | -51 | 0 | 0 | 0 | 0 | 111.6 | F530 Y531 M830 N831 T836 Q837 E838 | F530-T834 HydrophobicContact CE2-CG2 4.5Å; F530-T834 HydrophobicContact CZ-CG2 4.27Å; Y531-T834 HydrophobicContact CE1-CG2 4.1Å; Y531-T834 WeakPolarHBondContact OH-CG2 3.5Å; M830-T834 WeakPolarHBondContact O-CB 3.47Å; M830-T834 PolarHBondContact O-N 3.24Å; M830-T834 PolarHBondContact O-OG1 2.68Å; N831-T834 PolarHBondContact O-N 3.32Å; T834-T836 PolarHBondContact O-N 3.46Å; T834-Q837 PolarHBondContact O-N 3.46Å; T834-E838 PolarHBondContact O-N 3.33Å |
| 835 | L | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 175.2 | 179.5 | 58.7 | 0 | 0 | 0 | 112.4 | N831 S833 Q837 E838 I839 I866 L888 M889 M896 | N831-L835 VanDerWaalsContact O-CB 3.23Å; N831-L835 WeakPolarHBondContact O-CB 3.49Å; N831-L835 PolarHBondContact O-N 3.44Å; S833-L835 PolarHBondContact O-N 3.38Å; L835-Q837 VanDerWaalsContact C-N 3.28Å; L835-Q837 PolarHBondContact O-N 2.89Å; L835-E838 WeakPolarHBondContact O-CB 3.47Å; L835-E838 PolarHBondContact O-N 2.91Å; L835-I839 HydrophobicContact CD1-CD1 4.35Å; L835-I839 HydrophobicContact CD1-CG1 3.98Å; L835-I839 HydrophobicContact CG-CG1 4.28Å; L835-I839 VanDerWaalsContact O-CG1 3.27Å; L835-I839 WeakPolarHBondContact O-CG1 3.01Å; L835-I839 PolarHBondContact O-N 2.65Å; L835-I866 HydrophobicContact CD2-CD1 4.43Å; L835-I866 HydrophobicContact CD2-CG1 4.49Å; L835-I866 HydrophobicContact CD2-CG2 3.98Å; L835-I866 HydrophobicContact CG-CD1 4.2Å; L835-L888 HydrophobicContact CD2-CD2 4.37Å; L835-M889 HydrophobicContact CB-SD 4.44Å; L835-M889 HydrophobicContact CD2-CE 3.89Å; L835-M889 HydrophobicContact CD2-SD 3.88Å; L835-M896 HydrophobicContact CD1-CE 3.49Å; L835-M896 VanDerWaalsContact CD1-CE 3.49Å; L835-M896 HydrophobicContact CD1-CG 4.23Å; L835-M896 HydrophobicContact CD1-SD 3.91Å; L835-M896 HydrophobicContact CD2-CE 4.47Å |
| 836 | T | 93.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | 176.1 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | V798 I822 I832 S833 T834 I839 M840 I862 | V798-T836 HydrophobicContact CB-CG2 4.02Å; V798-T836 HydrophobicContact CG1-CG2 3.58Å; I822-T836 HydrophobicContact CG1-CG2 4.43Å; I822-T836 HydrophobicContact CG2-CG2 3.79Å; I832-T836 VanDerWaalsContact O-CB 3.27Å; I832-T836 WeakPolarHBondContact O-CB 3.43Å; I832-T836 PolarHBondContact O-N 3.47Å; I832-T836 PolarHBondContact O-OG1 3.06Å; S833-T836 WeakPolarHBondContact O-CB 3.36Å; S833-T836 PolarHBondContact O-N 2.89Å; T834-T836 PolarHBondContact O-N 3.46Å; T836-I839 PolarHBondContact O-N 2.68Å; T836-M840 WeakPolarHBondContact O-CG 3.21Å; T836-M840 PolarHBondContact O-N 3.11Å; T836-I862 HydrophobicContact CG2-CG2 3.93Å |
| 837 | Q | 92.9 | Very high | 89 | Confident | 9 Ų | 9 | 21.4 Ų | 21.4 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.6 | -42.9 | 176.2 | -63.2 | 171.5 | 63.8 | 0 | 0 | 111.9 | V779 L782 I822 S833 T834 L835 M840 V841 | V779-Q837 HydrophobicContact CB-CB 4.45Å; V779-Q837 HydrophobicContact CG1-CB 4.47Å; V779-Q837 HydrophobicContact CG2-CB 3.77Å; V779-Q837 HydrophobicContact CG2-CG 4.48Å; L782-Q837 HydrophobicContact CD1-CB 3.9Å; L782-Q837 HydrophobicContact CD1-CG 4.15Å; L782-Q837 HydrophobicContact CD2-CB 4.17Å; L782-Q837 HydrophobicContact CD2-CG 3.71Å; I822-Q837 HydrophobicContact CD1-CG 3.69Å; I822-Q837 HydrophobicContact CG2-CG 4.27Å; S833-Q837 WeakPolarHBondContact O-CG 3.37Å; S833-Q837 PolarHBondContact O-N 2.87Å; S833-Q837 VanDerWaalsContact O-N 3.11Å; S833-Q837 PolarHBondContact O-NE2 3.3Å; S833-Q837 PolarHBondContact OG-NE2 3.31Å; S833-Q837 VanDerWaalsContact OG-NE2 3.12Å; T834-Q837 PolarHBondContact O-N 3.46Å; L835-Q837 VanDerWaalsContact C-N 3.28Å; L835-Q837 PolarHBondContact O-N 2.89Å; Q837-M840 PolarHBondContact O-N 3.39Å; Q837-V841 PolarHBondContact O-N 2.91Å |
| 838 | E | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -55.6 | -51.7 | 171.1 | -88.4 | -173.9 | -125.2 | 0 | 0 | 112.5 | F530 Y531 L532 R769 T834 L835 M840 V841 Y842 | F530-E838 HydrophobicContact CE1-CG 4.49Å; Y531-E838 WeakPolarHBondContact CE2-OE1 3.24Å; Y531-E838 PolarHBondContact OH-OE1 3.26Å; L532-E838 HydrophobicContact CD2-CG 4.42Å; R769-E838 IonicContact CZ-OE1 2.85Å; R769-E838 VanDerWaalsContact CZ-OE1 3.29Å; R769-E838 IonicContact CZ-OE2 2.77Å; R769-E838 IonicContact NE-OE1 2.76Å; R769-E838 PolarHBondContact NE-OE1 3.45Å; R769-E838 IonicContact NE-OE2 2.81Å; R769-E838 IonicContact NH2-OE1 3.41Å; R769-E838 PolarHBondContact NH2-OE1 3.15Å; R769-E838 VanDerWaalsContact NH2-OE1 3.11Å; R769-E838 IonicContact NH2-OE2 2.93Å; R769-E838 PolarHBondContact NH2-OE2 3.05Å; T834-E838 PolarHBondContact O-N 3.33Å; L835-E838 WeakPolarHBondContact O-CB 3.47Å; L835-E838 PolarHBondContact O-N 2.91Å; E838-M840 VanDerWaalsContact C-N 3.27Å; E838-M840 PolarHBondContact O-N 3.36Å; E838-V841 PolarHBondContact O-N 3.25Å; E838-V841 VanDerWaalsContact O-N 3.11Å; E838-Y842 HydrophobicContact CB-CE2 3.85Å; E838-Y842 VanDerWaalsContact CD-OH 3.32Å; E838-Y842 HydrophobicContact CG-CE2 4.4Å; E838-Y842 WeakPolarHBondContact O-CD2 3.42Å; E838-Y842 VanDerWaalsContact O-CG 3.28Å; E838-Y842 PolarHBondContact O-N 3.01Å; E838-Y842 PolarHBondContact OE2-OH 3.35Å |
| 839 | I | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.2 | -35.9 | -177.2 | -64.9 | -69.1 | 0 | 0 | 0 | 110.6 | L835 T836 Y842 L843 I862 I865 I866 M869 M896 L900 | L835-I839 HydrophobicContact CD1-CD1 4.35Å; L835-I839 HydrophobicContact CD1-CG1 3.98Å; L835-I839 HydrophobicContact CG-CG1 4.28Å; L835-I839 VanDerWaalsContact O-CG1 3.27Å; L835-I839 WeakPolarHBondContact O-CG1 3.01Å; L835-I839 PolarHBondContact O-N 2.65Å; T836-I839 PolarHBondContact O-N 2.68Å; I839-Y842 HydrophobicContact CD1-CD2 4.18Å; I839-Y842 PolarHBondContact O-N 3.01Å; I839-L843 HydrophobicContact CG2-CD1 3.85Å; I839-L843 HydrophobicContact CG2-CG 4.18Å; I839-L843 WeakPolarHBondContact O-CB 3.44Å; I839-L843 WeakPolarHBondContact O-CD1 3.45Å; I839-L843 WeakPolarHBondContact O-CG 3.33Å; I839-L843 PolarHBondContact O-N 3.26Å; I839-I862 HydrophobicContact CB-CG2 4.18Å; I839-I862 HydrophobicContact CG2-CG2 3.83Å; I839-I865 HydrophobicContact CG2-CG2 4.44Å; I839-I866 HydrophobicContact CG1-CD1 4.3Å; I839-I866 HydrophobicContact CG1-CG1 4.04Å; I839-M869 HydrophobicContact CD1-CE 3.85Å; I839-M869 HydrophobicContact CD1-SD 3.87Å; I839-M896 HydrophobicContact CD1-CG 4.02Å; I839-M896 HydrophobicContact CD1-SD 4.16Å; I839-L900 HydrophobicContact CD1-CD2 4.4Å; I839-L900 HydrophobicContact CG2-CD2 4.37Å |
| 840 | M | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 172.1 | -76.8 | -179.7 | 58.6 | 0 | 0 | 112.5 | L782 C786 L796 V798 L818 I822 T836 Q837 E838 L843 A844 I862 | L782-M840 HydrophobicContact CD1-CB 4.11Å; L782-M840 HydrophobicContact CD1-CE 4.16Å; L782-M840 HydrophobicContact CD1-SD 4.35Å; C786-M840 HydrophobicContact CB-CE 3.77Å; L796-M840 HydrophobicContact CD1-CE 4.06Å; V798-M840 HydrophobicContact CG1-SD 4.21Å; L818-M840 HydrophobicContact CD1-CE 4.22Å; L818-M840 HydrophobicContact CD2-CE 4.1Å; I822-M840 HydrophobicContact CD1-SD 3.81Å; T836-M840 WeakPolarHBondContact O-CG 3.21Å; T836-M840 PolarHBondContact O-N 3.11Å; Q837-M840 PolarHBondContact O-N 3.39Å; E838-M840 VanDerWaalsContact C-N 3.27Å; E838-M840 PolarHBondContact O-N 3.36Å; M840-L843 PolarHBondContact O-N 3.49Å; M840-A844 PolarHBondContact O-N 2.81Å; M840-I862 HydrophobicContact CG-CD1 3.44Å; M840-I862 VanDerWaalsContact CG-CD1 3.44Å; M840-I862 HydrophobicContact CG-CG1 4.39Å; M840-I862 HydrophobicContact SD-CD1 3.95Å |
| 841 | V | 91.3 | Very high | 88.8 | Confident | 17 Ų | 17 | 21.5 Ų | 21.5 | 10% | 0.103 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 176.6 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | V779 A785 Q837 E838 L843 A844 M845 | V779-V841 HydrophobicContact CG1-CG2 3.78Å; A785-V841 HydrophobicContact CB-CG2 4.19Å; Q837-V841 PolarHBondContact O-N 2.91Å; E838-V841 PolarHBondContact O-N 3.25Å; E838-V841 VanDerWaalsContact O-N 3.11Å; V841-L843 PolarHBondContact O-N 3.33Å; V841-A844 PolarHBondContact O-N 2.76Å; V841-M845 HydrophobicContact CG1-SD 4.39Å; V841-M845 WeakPolarHBondContact O-CG 3.23Å; V841-M845 PolarHBondContact O-N 2.83Å |
| 842 | Y | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.7 | -38.5 | 178.5 | -54.9 | -25.5 | 0 | 0 | 0 | 112.7 | L532 M538 E838 I839 A844 M845 Y846 P893 M896 K897 | L532-Y842 HydrophobicContact CD2-CE1 4.04Å; L532-Y842 VanDerWaalsContact CD2-OH 3.23Å; L532-Y842 WeakPolarHBondContact CD2-OH 3.4Å; M538-Y842 HydrophobicContact CE-CD1 3.92Å; M538-Y842 HydrophobicContact CE-CE1 3.53Å; M538-Y842 HydrophobicContact SD-CE1 4.28Å; E838-Y842 HydrophobicContact CB-CE2 3.85Å; E838-Y842 VanDerWaalsContact CD-OH 3.32Å; E838-Y842 HydrophobicContact CG-CE2 4.4Å; E838-Y842 WeakPolarHBondContact O-CD2 3.42Å; E838-Y842 VanDerWaalsContact O-CG 3.28Å; E838-Y842 PolarHBondContact O-N 3.01Å; E838-Y842 PolarHBondContact OE2-OH 3.35Å; I839-Y842 HydrophobicContact CD1-CD2 4.18Å; I839-Y842 PolarHBondContact O-N 3.01Å; Y842-A844 VanDerWaalsContact C-N 3.34Å; Y842-M845 HydrophobicContact CD1-SD 4.21Å; Y842-M845 PolarHBondContact O-N 3.12Å; Y842-Y846 WeakPolarHBondContact O-CD2 3.5Å; Y842-Y846 PolarHBondContact O-N 3.19Å; Y842-P893 WeakPolarHBondContact OH-CA 3.5Å; Y842-P893 WeakPolarHBondContact OH-CB 3.38Å; Y842-M896 HydrophobicContact CD2-CG 4.32Å; Y842-M896 HydrophobicContact CE2-CB 4.06Å; Y842-M896 HydrophobicContact CE2-CG 3.73Å; Y842-K897 HydrophobicContact CD1-CB 4.17Å; Y842-K897 HydrophobicContact CD1-CD 4.05Å; Y842-K897 HydrophobicContact CD1-CG 4.31Å; Y842-K897 HydrophobicContact CD2-CB 3.99Å; Y842-K897 HydrophobicContact CE1-CB 4.42Å; Y842-K897 HydrophobicContact CE2-CB 4.27Å; Y842-K897 HydrophobicContact CG-CB 3.96Å; Y842-K897 HydrophobicContact CG-CD 4.38Å; Y842-K897 HydrophobicContact CG-CG 4.16Å |
| 843 | L | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 173.2 | -73.7 | 167.1 | 0 | 0 | 0 | 110.9 | L789 I839 M840 V841 Y846 M847 F854 L860 I862 I865 L900 L904 | L789-L843 HydrophobicContact CD1-CB 3.84Å; L789-L843 HydrophobicContact CD2-CB 4.07Å; I839-L843 HydrophobicContact CG2-CD1 3.85Å; I839-L843 HydrophobicContact CG2-CG 4.18Å; I839-L843 WeakPolarHBondContact O-CB 3.44Å; I839-L843 WeakPolarHBondContact O-CD1 3.45Å; I839-L843 WeakPolarHBondContact O-CG 3.33Å; I839-L843 PolarHBondContact O-N 3.26Å; M840-L843 PolarHBondContact O-N 3.49Å; V841-L843 PolarHBondContact O-N 3.33Å; L843-Y846 PolarHBondContact O-N 3.24Å; L843-M847 PolarHBondContact O-N 3.46Å; L843-F854 HydrophobicContact CD2-CE1 3.76Å; L843-F854 HydrophobicContact CD2-CZ 4.07Å; L843-L860 HydrophobicContact CD1-CD1 4.44Å; L843-I862 HydrophobicContact CD1-CG1 3.91Å; L843-I865 HydrophobicContact CD1-CD1 4.31Å; L843-I865 HydrophobicContact CD2-CD1 4.35Å; L843-L900 HydrophobicContact CD2-CD1 4.26Å; L843-L900 HydrophobicContact CD2-CD2 4.18Å; L843-L900 HydrophobicContact CG-CD2 4.14Å; L843-L904 HydrophobicContact CD2-CD1 3.95Å; L843-L904 HydrophobicContact CD2-CD2 4.44Å |
| 844 | A | 89.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A785 D788 L789 M840 V841 Y842 Y846 M847 R848 | A785-A844 HydrophobicContact CB-CB 3.59Å; D788-A844 HydrophobicContact CB-CB 4.26Å; L789-A844 HydrophobicContact CD1-CB 4.43Å; L789-A844 HydrophobicContact CD2-CB 4.47Å; L789-A844 HydrophobicContact CG-CB 4.08Å; M840-A844 PolarHBondContact O-N 2.81Å; V841-A844 PolarHBondContact O-N 2.76Å; Y842-A844 VanDerWaalsContact C-N 3.34Å; A844-Y846 VanDerWaalsContact C-N 3.33Å; A844-Y846 PolarHBondContact O-N 3.02Å; A844-M847 WeakPolarHBondContact O-CB 3.44Å; A844-M847 PolarHBondContact O-N 2.86Å; A844-M847 VanDerWaalsContact O-N 3.14Å; A844-R848 PolarHBondContact O-N 3.43Å |
| 845 | M | 87.1 | Confident | 87.8 | Confident | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.7 | -44.2 | 172.5 | -67.1 | 174.9 | 83 | 0 | 0 | 111.7 | M538 E541 M542 V841 Y842 R848 T849 K897 | M538-M845 HydrophobicContact CE-CE 3.87Å; M538-M845 HydrophobicContact CE-SD 3.59Å; M538-M845 VanDerWaalsContact CE-SD 3.59Å; E541-M845 HydrophobicContact CG-CE 4.11Å; M542-M845 HydrophobicContact CG-CE 3.94Å; V841-M845 HydrophobicContact CG1-SD 4.39Å; V841-M845 WeakPolarHBondContact O-CG 3.23Å; V841-M845 PolarHBondContact O-N 2.83Å; Y842-M845 HydrophobicContact CD1-SD 4.21Å; Y842-M845 PolarHBondContact O-N 3.12Å; M845-R848 PolarHBondContact O-N 3.43Å; M845-T849 WeakPolarHBondContact O-CB 3.32Å; M845-T849 WeakPolarHBondContact O-CG2 3.39Å; M845-T849 PolarHBondContact O-N 2.92Å; M845-T849 PolarHBondContact O-OG1 3.47Å; M845-K897 HydrophobicContact CE-CD 4.36Å; M845-K897 HydrophobicContact SD-CD 4.16Å |
| 846 | Y | 89.3 | Confident | 87 | Confident | 7 Ų | 7 | 25.3 Ų | 25.3 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.8 | -32.5 | 175.7 | -76.6 | -55.8 | 0 | 0 | 0 | 112.9 | Y842 L843 A844 Q850 L853 K897 L900 H901 L904 | Y842-Y846 WeakPolarHBondContact O-CD2 3.5Å; Y842-Y846 PolarHBondContact O-N 3.19Å; L843-Y846 PolarHBondContact O-N 3.24Å; A844-Y846 VanDerWaalsContact C-N 3.33Å; A844-Y846 PolarHBondContact O-N 3.02Å; Y846-Q850 CarbonylContact O-C 3.54Å; Y846-Q850 VanDerWaalsContact O-CA 3.31Å; Y846-Q850 WeakPolarHBondContact O-CA 3.32Å; Y846-Q850 PolarHBondContact O-N 3.47Å; Y846-L853 HydrophobicContact CD1-CD1 4.03Å; Y846-L853 HydrophobicContact CG-CD1 4.26Å; Y846-K897 HydrophobicContact CE2-CG 3.71Å; Y846-K897 WeakPolarHBondContact CE2-O 3.49Å; Y846-K897 VanDerWaalsContact OH-CG 3.26Å; Y846-K897 WeakPolarHBondContact OH-CG 3.37Å; Y846-K897 PolarHBondContact OH-NZ 3.08Å; Y846-K897 PolarHBondContact OH-O 3.37Å; Y846-L900 HydrophobicContact CD2-CD2 4.25Å; Y846-L900 HydrophobicContact CE2-CD2 4.34Å; Y846-H901 HydrophobicContact CE1-CB 3.97Å; Y846-H901 AromaticContact CE1-CD2 3.95Å; Y846-H901 HydrophobicContact CE2-CB 4.09Å; Y846-H901 WeakPolarHBondContact OH-CB 3.26Å; Y846-L904 HydrophobicContact CD2-CD1 4.37Å |
| 847 | M | 85.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 174.7 | -167.4 | 65.2 | 64.9 | 0 | 0 | 111.5 | L789 Y792 K794 L843 A844 P851 F854 | L789-M847 HydrophobicContact CD2-CB 3.98Å; L789-M847 HydrophobicContact CD2-CE 3.81Å; L789-M847 HydrophobicContact CD2-CG 4.41Å; Y792-M847 HydrophobicContact CD1-CG 4.16Å; Y792-M847 HydrophobicContact CD1-SD 4.3Å; Y792-M847 HydrophobicContact CD2-CB 4.34Å; Y792-M847 HydrophobicContact CD2-CG 3.18Å; Y792-M847 HydrophobicContact CD2-SD 4.23Å; Y792-M847 HydrophobicContact CE2-CG 3.78Å; Y792-M847 HydrophobicContact CG-CG 3.42Å; Y792-M847 VanDerWaalsContact CG-CG 3.42Å; Y792-M847 HydrophobicContact CG-SD 3.82Å; K794-M847 HydrophobicContact CD-CE 4.23Å; K794-M847 HydrophobicContact CG-CE 3.54Å; L843-M847 PolarHBondContact O-N 3.46Å; A844-M847 WeakPolarHBondContact O-CB 3.44Å; A844-M847 PolarHBondContact O-N 2.86Å; A844-M847 VanDerWaalsContact O-N 3.14Å; M847-P851 WeakPolarHBondContact O-CB 3.48Å; M847-P851 WeakPolarHBondContact O-CD 3.44Å; M847-P851 HydrophobicContact SD-CB 4.38Å; M847-F854 HydrophobicContact CB-CE2 4.25Å; M847-F854 HydrophobicContact CE-CB 3.69Å; M847-F854 HydrophobicContact CE-CD1 3.63Å; M847-F854 HydrophobicContact CE-CD2 3.39Å; M847-F854 HydrophobicContact CE-CE1 4.02Å; M847-F854 HydrophobicContact CE-CE2 3.82Å; M847-F854 HydrophobicContact CE-CG 3.27Å; M847-F854 HydrophobicContact CE-CZ 4.1Å; M847-F854 HydrophobicContact SD-CB 4.11Å; M847-F854 HydrophobicContact SD-CD2 3.62Å; M847-F854 HydrophobicContact SD-CE2 4.22Å; M847-F854 HydrophobicContact SD-CG 3.96Å |
| 848 | R | 77.9 | Confident | 85.8 | Confident | 79 Ų | 79 | 26.5 Ų | 26.5 | 30% | 0.298 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.4 | -39 | 177.2 | -72.9 | -168 | -83.6 | 137.5 | -2.9 | 113.1 | D788 A844 M845 | D788-R848 VanDerWaalsContact OD2-CD 3.24Å; D788-R848 WeakPolarHBondContact OD2-CD 3.33Å; D788-R848 IonicContact OD2-NE 3.42Å; D788-R848 PolarHBondContact OD2-NE 3.33Å; D788-R848 VanDerWaalsContact OD2-NE 3.12Å; A844-R848 PolarHBondContact O-N 3.43Å; M845-R848 PolarHBondContact O-N 3.43Å |
| 849 | T | 80.1 | Confident | 85.5 | Confident | 59 Ų | 59 | 28 Ų | 28 | 36% | 0.362 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -95.4 | -31.8 | -172.9 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | T545 M845 | T545-T849 HydrophobicContact CG2-CG2 3.92Å; M845-T849 WeakPolarHBondContact O-CB 3.32Å; M845-T849 WeakPolarHBondContact O-CG2 3.39Å; M845-T849 PolarHBondContact O-N 2.92Å; M845-T849 PolarHBondContact O-OG1 3.47Å |
| 850 | Q | 83.9 | Confident | 85.2 | Confident | 85 Ų | 85 | 28 Ų | 28 | 40% | 0.397 | 17% | 0.165 | S | C | . | . | trans | -144.7 | 59.6 | -173.5 | -61.6 | -172.9 | -0.8 | 0 | 0 | 111.8 | Y846 G852 L853 H901 | Y846-Q850 CarbonylContact O-C 3.54Å; Y846-Q850 VanDerWaalsContact O-CA 3.31Å; Y846-Q850 WeakPolarHBondContact O-CA 3.32Å; Y846-Q850 PolarHBondContact O-N 3.47Å; Q850-G852 PolarHBondContact O-N 3.33Å; Q850-L853 HydrophobicContact CB-CD1 3.94Å; Q850-L853 HydrophobicContact CB-CG 4.09Å; Q850-L853 WeakPolarHBondContact O-CB 3.32Å; Q850-L853 WeakPolarHBondContact O-CG 3.45Å; Q850-L853 PolarHBondContact O-N 3.49Å; Q850-H901 PolarHBondContact OE1-NE2 2.79Å | ||
| 851 | P | 82.2 | Confident | 85 | Confident | 66 Ų | 66 | 28.4 Ų | 28.4 | 43% | 0.429 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -57.9 | -23.5 | -175.3 | 22 | -33.2 | 0 | 0 | 0 | 114 | M847 L853 F854 | M847-P851 WeakPolarHBondContact O-CB 3.48Å; M847-P851 WeakPolarHBondContact O-CD 3.44Å; M847-P851 HydrophobicContact SD-CB 4.38Å; P851-L853 PolarHBondContact O-N 3.49Å; P851-L853 VanDerWaalsContact O-N 3.16Å; P851-F854 PolarHBondContact O-N 3.14Å |
| 852 | G | 82.3 | Confident | 85 | Confident | 66 Ų | 66 | 27.6 Ų | 27.6 | 68% | 0.68 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -59.4 | -20.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q850 F854 A855 | Q850-G852 PolarHBondContact O-N 3.33Å; G852-F854 PolarHBondContact O-N 2.82Å; G852-A855 PolarHBondContact O-N 3.21Å |
| 853 | L | 85.6 | Confident | 84.9 | Confident | 23 Ų | 23 | 27.9 Ų | 27.9 | 12% | 0.12 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -63.9 | -18.8 | 171 | -67.2 | 177.7 | 0 | 0 | 0 | 113 | Y846 Q850 P851 L904 R1025 | Y846-L853 HydrophobicContact CD1-CD1 4.03Å; Y846-L853 HydrophobicContact CG-CD1 4.26Å; Q850-L853 HydrophobicContact CB-CD1 3.94Å; Q850-L853 HydrophobicContact CB-CG 4.09Å; Q850-L853 WeakPolarHBondContact O-CB 3.32Å; Q850-L853 WeakPolarHBondContact O-CG 3.45Å; Q850-L853 PolarHBondContact O-N 3.49Å; P851-L853 PolarHBondContact O-N 3.49Å; P851-L853 VanDerWaalsContact O-N 3.16Å; L853-L904 HydrophobicContact CB-CB 4.45Å; L853-L904 HydrophobicContact CD1-CB 4.39Å; L853-R1025 PolarHBondContact O-NH2 3.15Å |
| 854 | F | 86.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -113.1 | 19.2 | -174.6 | -53.7 | -87.5 | 0 | 0 | 0 | 113.2 | K794 L843 M847 P851 G852 M857 L860 L904 | K794-F854 PolarHBondContact NZ-O 2.63Å; L843-F854 HydrophobicContact CD2-CE1 3.76Å; L843-F854 HydrophobicContact CD2-CZ 4.07Å; M847-F854 HydrophobicContact CB-CE2 4.25Å; M847-F854 HydrophobicContact CE-CB 3.69Å; M847-F854 HydrophobicContact CE-CD1 3.63Å; M847-F854 HydrophobicContact CE-CD2 3.39Å; M847-F854 HydrophobicContact CE-CE1 4.02Å; M847-F854 HydrophobicContact CE-CE2 3.82Å; M847-F854 HydrophobicContact CE-CG 3.27Å; M847-F854 HydrophobicContact CE-CZ 4.1Å; M847-F854 HydrophobicContact SD-CB 4.11Å; M847-F854 HydrophobicContact SD-CD2 3.62Å; M847-F854 HydrophobicContact SD-CE2 4.22Å; M847-F854 HydrophobicContact SD-CG 3.96Å; P851-F854 PolarHBondContact O-N 3.14Å; G852-F854 PolarHBondContact O-N 2.82Å; F854-M857 HydrophobicContact CD1-CE 4.32Å; F854-M857 PolarHBondContact O-N 3.42Å; F854-L860 HydrophobicContact CD1-CD1 4.25Å; F854-L860 HydrophobicContact CD1-CD2 3.81Å; F854-L860 HydrophobicContact CE1-CD1 4.1Å; F854-L860 HydrophobicContact CE1-CD2 4.19Å; F854-L904 HydrophobicContact CE1-CD1 4.06Å; F854-L904 HydrophobicContact CE1-CD2 4.23Å; F854-L904 HydrophobicContact CZ-CD1 3.85Å |
| 855 | A | 78.1 | Confident | 84.6 | Confident | 59 Ų | 59 | 28.4 Ų | 28.4 | 49% | 0.488 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 135 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G852 M857 | G852-A855 PolarHBondContact O-N 3.21Å; A855-M857 PolarHBondContact O-N 3.06Å; A855-M857 VanDerWaalsContact O-N 3.15Å |
| 856 | E | 74.5 | Confident | 84.8 | Confident | 47 Ų | 47 | 29.1 Ų | 29.1 | 22% | 0.22 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 26.6 | -177.5 | -53.5 | -59.1 | 116.1 | 0 | 0 | 115.6 | V1026 I1028 | E856-V1026 HydrophobicContact CB-CG2 4.13Å; E856-V1026 WeakPolarHBondContact CB-O 3.47Å; E856-I1028 HydrophobicContact CG-CB 4.38Å; E856-I1028 HydrophobicContact CG-CG1 3.65Å; E856-I1028 WeakPolarHBondContact OE2-CA 3.16Å |
| 857 | M | 82.6 | Confident | 84.7 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -114.2 | 111.4 | 170.1 | -62 | 168.9 | 56.3 | 0 | 0 | 108.6 | K794 F854 A855 L860 L904 L1023 R1025 | K794-M857 WeakPolarHBondContact CD-O 3.21Å; K794-M857 WeakPolarHBondContact CE-O 3.44Å; K794-M857 PolarHBondContact NZ-O 3.01Å; F854-M857 HydrophobicContact CD1-CE 4.32Å; F854-M857 PolarHBondContact O-N 3.42Å; A855-M857 PolarHBondContact O-N 3.06Å; A855-M857 VanDerWaalsContact O-N 3.15Å; M857-L860 HydrophobicContact CE-CD2 3.56Å; M857-L904 HydrophobicContact CE-CD2 4.48Å; M857-L1023 HydrophobicContact CE-CB 3.88Å; M857-L1023 HydrophobicContact CE-CD2 3.96Å; M857-L1023 HydrophobicContact CE-CG 4.36Å; M857-L1023 WeakPolarHBondContact CG-O 3.35Å; M857-L1023 HydrophobicContact SD-CB 4.33Å; M857-R1025 HydrophobicContact CG-CG 3.6Å; M857-R1025 HydrophobicContact SD-CG 3.89Å; M857-R1025 PolarHBondContact SD-NE 2.89Å | ||
| 858 | F | 78.8 | Confident | 84.7 | Confident | 36 Ų | 36 | 33.8 Ų | 33.8 | 16% | 0.158 | 19% | 0.194 | C | C | . | . | trans | -95.8 | -16.4 | 176.2 | -65.4 | -83.6 | 0 | 0 | 0 | 113.6 | K794 H795 Y1031 I1064 E1071 | K794-F858 WeakPolarHBondContact CA-O 3.46Å; H795-F858 PolarHBondContact N-O 2.81Å; F858-Y1031 HydrophobicContact CD2-CD2 4.43Å; F858-Y1031 AromaticContact CD2-CE2 3.72Å; F858-Y1031 HydrophobicContact CD2-CE2 3.72Å; F858-Y1031 AromaticContact CE2-CD2 3.82Å; F858-Y1031 HydrophobicContact CE2-CD2 3.82Å; F858-Y1031 AromaticContact CE2-CE2 3.48Å; F858-Y1031 HydrophobicContact CE2-CE2 3.48Å; F858-Y1031 VanDerWaalsContact CE2-CE2 3.48Å; F858-I1064 HydrophobicContact CD1-CG2 4.22Å; F858-I1064 HydrophobicContact CE1-CG1 4.48Å; F858-I1064 HydrophobicContact CE1-CG2 4.46Å; F858-E1071 WeakPolarHBondContact CB-OE1 3.45Å; F858-E1071 PolarHBondContact N-OE1 2.97Å | ||
| 859 | R | 84.8 | Confident | 85.3 | Confident | 30 Ų | 30 | 30.1 Ų | 30.1 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.2 | 177.5 | -173.4 | 175.9 | -70.6 | -164.4 | -2.4 | 112.6 | H795 T797 R861 E1071 | H795-R859 HydrophobicContact CB-CB 4.36Å; H795-R859 HydrophobicContact CB-CG 4.24Å; H795-R859 CarbonylContact O-C 3.56Å; H795-R859 VanDerWaalsContact O-CA 3.26Å; H795-R859 WeakPolarHBondContact O-CA 3.38Å; T797-R859 HydrophobicContact CG2-CG 4.15Å; R859-R861 HydrophobicContact CG-CG 4.06Å; R859-E1071 WeakPolarHBondContact CB-OE2 3.49Å |
| 860 | L | 88.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 110.1 | 173.7 | -49.4 | -178.6 | 0 | 0 | 0 | 109.4 | L789 K794 H795 L796 T797 L843 F854 M857 I862 | L789-L860 HydrophobicContact CD1-CD1 4.45Å; L789-L860 HydrophobicContact CD2-CD1 3.84Å; K794-L860 HydrophobicContact CB-CD1 4.12Å; K794-L860 HydrophobicContact CB-CG 4.11Å; K794-L860 HydrophobicContact CG-CD1 4.39Å; H795-L860 PolarHBondContact O-N 2.79Å; L796-L860 HydrophobicContact CD2-CB 3.82Å; L796-L860 HydrophobicContact CD2-CD1 3.88Å; L796-L860 HydrophobicContact CD2-CG 4.11Å; T797-L860 PolarHBondContact N-O 3.26Å; L843-L860 HydrophobicContact CD1-CD1 4.44Å; F854-L860 HydrophobicContact CD1-CD1 4.25Å; F854-L860 HydrophobicContact CD1-CD2 3.81Å; F854-L860 HydrophobicContact CE1-CD1 4.1Å; F854-L860 HydrophobicContact CE1-CD2 4.19Å; M857-L860 HydrophobicContact CE-CD2 3.56Å; L860-I862 PolarHBondContact O-N 3.16Å |
| 861 | R | 89.1 | Confident | 85.7 | Confident | 8 Ų | 8 | 26.3 Ų | 26.3 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 87.1 | -178 | -56.6 | -177.8 | 74.1 | -176.1 | 3.4 | 109.5 | T797 E806 R859 G863 L864 I865 N1075 | T797-R861 WeakPolarHBondContact OG1-CA 3.36Å; T797-R861 WeakPolarHBondContact OG1-CB 3.49Å; T797-R861 WeakPolarHBondContact OG1-CG 3.48Å; E806-R861 VanDerWaalsContact CD-NH2 3.31Å; E806-R861 IonicContact OE1-CZ 2.67Å; E806-R861 IonicContact OE1-NE 2.72Å; E806-R861 PolarHBondContact OE1-NE 3.06Å; E806-R861 IonicContact OE1-NH2 3.59Å; E806-R861 PolarHBondContact OE1-NH2 3.14Å; E806-R861 VanDerWaalsContact OE1-NH2 3.14Å; E806-R861 IonicContact OE2-CZ 2.69Å; E806-R861 IonicContact OE2-NE 2.88Å; E806-R861 IonicContact OE2-NH2 3.07Å; E806-R861 PolarHBondContact OE2-NH2 2.79Å; R859-R861 HydrophobicContact CG-CG 4.06Å; R861-G863 VanDerWaalsContact C-N 3.33Å; R861-G863 PolarHBondContact O-N 3.31Å; R861-L864 HydrophobicContact CB-CB 4.14Å; R861-L864 HydrophobicContact CB-CD1 4.11Å; R861-L864 HydrophobicContact CB-CG 4.26Å; R861-L864 PolarHBondContact O-N 2.89Å; R861-I865 WeakPolarHBondContact O-CG1 3.23Å; R861-I865 PolarHBondContact O-N 3.49Å; R861-N1075 WeakPolarHBondContact CD-OD1 3.42Å; R861-N1075 PolarHBondContact NH1-OD1 2.94Å |
| 862 | I | 92.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -39.6 | -164.9 | -63 | 150.3 | 0 | 0 | 0 | 111.6 | L796 T797 V798 T836 I839 M840 L843 L860 L864 I865 I866 | L796-I862 HydrophobicContact CB-CD1 4.33Å; T797-I862 WeakPolarHBondContact O-CB 3.36Å; T797-I862 PolarHBondContact O-N 2.74Å; V798-I862 HydrophobicContact CG1-CB 4.41Å; V798-I862 HydrophobicContact CG1-CD1 3.65Å; T836-I862 HydrophobicContact CG2-CG2 3.93Å; I839-I862 HydrophobicContact CB-CG2 4.18Å; I839-I862 HydrophobicContact CG2-CG2 3.83Å; M840-I862 HydrophobicContact CG-CD1 3.44Å; M840-I862 VanDerWaalsContact CG-CD1 3.44Å; M840-I862 HydrophobicContact CG-CG1 4.39Å; M840-I862 HydrophobicContact SD-CD1 3.95Å; L843-I862 HydrophobicContact CD1-CG1 3.91Å; L860-I862 PolarHBondContact O-N 3.16Å; I862-L864 PolarHBondContact O-N 3.21Å; I862-I865 WeakPolarHBondContact O-CB 3.18Å; I862-I865 PolarHBondContact O-N 2.77Å; I862-I866 HydrophobicContact CG2-CD1 4.1Å; I862-I866 WeakPolarHBondContact O-CG1 3.41Å; I862-I866 PolarHBondContact O-N 3.11Å |
| 863 | G | 89.3 | Confident | 85.8 | Confident | 7 Ų | 7 | 20.3 Ų | 20.3 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G799 L800 R861 I866 Q867 | G799-G863 WeakPolarHBondContact O-CA 3.35Å; L800-G863 WeakPolarHBondContact CD2-O 3.36Å; R861-G863 VanDerWaalsContact C-N 3.33Å; R861-G863 PolarHBondContact O-N 3.31Å; G863-I866 PolarHBondContact O-N 3.4Å; G863-Q867 WeakPolarHBondContact O-CB 3.5Å; G863-Q867 PolarHBondContact O-N 2.92Å |
| 864 | L | 86.8 | Confident | 85.7 | Confident | 8 Ų | 8 | 20 Ų | 20 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.5 | -34.2 | 174.4 | -69.5 | -175.4 | 0 | 0 | 0 | 112.2 | L800 P801 R861 I862 Q867 V868 | L800-L864 HydrophobicContact CD2-CD2 4.26Å; P801-L864 HydrophobicContact CG-CD1 4.34Å; P801-L864 HydrophobicContact CG-CD2 3.79Å; P801-L864 HydrophobicContact CG-CG 4.21Å; R861-L864 HydrophobicContact CB-CB 4.14Å; R861-L864 HydrophobicContact CB-CD1 4.11Å; R861-L864 HydrophobicContact CB-CG 4.26Å; R861-L864 PolarHBondContact O-N 2.89Å; I862-L864 PolarHBondContact O-N 3.21Å; L864-Q867 PolarHBondContact O-N 3.47Å; L864-V868 WeakPolarHBondContact O-CB 3.45Å; L864-V868 VanDerWaalsContact O-CG2 3.3Å; L864-V868 WeakPolarHBondContact O-CG2 3.42Å; L864-V868 PolarHBondContact O-N 2.97Å |
| 865 | I | 90.4 | Very high | 85.5 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 173.8 | -67.7 | 169.2 | 0 | 0 | 0 | 109.9 | I839 L843 R861 I862 Q867 V868 M869 L900 L1023 | I839-I865 HydrophobicContact CG2-CG2 4.44Å; L843-I865 HydrophobicContact CD1-CD1 4.31Å; L843-I865 HydrophobicContact CD2-CD1 4.35Å; R861-I865 WeakPolarHBondContact O-CG1 3.23Å; R861-I865 PolarHBondContact O-N 3.49Å; I862-I865 WeakPolarHBondContact O-CB 3.18Å; I862-I865 PolarHBondContact O-N 2.77Å; I865-Q867 PolarHBondContact O-N 3.03Å; I865-V868 PolarHBondContact O-N 3.45Å; I865-M869 HydrophobicContact CG2-SD 3.98Å; I865-M869 VanDerWaalsContact O-CG 3.29Å; I865-M869 WeakPolarHBondContact O-CG 3.44Å; I865-M869 PolarHBondContact O-N 3.33Å; I865-L900 HydrophobicContact CG2-CD1 3.46Å; I865-L900 VanDerWaalsContact CG2-CD1 3.46Å; I865-L1023 HydrophobicContact CD1-CD2 4.13Å; I865-L1023 HydrophobicContact CG1-CD2 3.79Å |
| 866 | I | 90.5 | Very high | 85.6 | Confident | 23 Ų | 23 | 25.5 Ų | 25.5 | 12% | 0.118 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 175.6 | -67.3 | 166.4 | 0 | 0 | 0 | 111 | L835 I839 I862 G863 V868 M869 A870 L888 | L835-I866 HydrophobicContact CD2-CD1 4.43Å; L835-I866 HydrophobicContact CD2-CG1 4.49Å; L835-I866 HydrophobicContact CD2-CG2 3.98Å; L835-I866 HydrophobicContact CG-CD1 4.2Å; I839-I866 HydrophobicContact CG1-CD1 4.3Å; I839-I866 HydrophobicContact CG1-CG1 4.04Å; I862-I866 HydrophobicContact CG2-CD1 4.1Å; I862-I866 WeakPolarHBondContact O-CG1 3.41Å; I862-I866 PolarHBondContact O-N 3.11Å; G863-I866 PolarHBondContact O-N 3.4Å; I866-V868 VanDerWaalsContact C-N 3.33Å; I866-V868 PolarHBondContact O-N 3Å; I866-M869 WeakPolarHBondContact O-CB 3.46Å; I866-M869 PolarHBondContact O-N 3.39Å; I866-A870 PolarHBondContact O-N 3.3Å; I866-L888 HydrophobicContact CG2-CD2 4.23Å |
| 867 | Q | 87.8 | Confident | 85.9 | Confident | 97 Ų | 97 | 24.7 Ų | 24.7 | 45% | 0.453 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61 | -40.5 | 177 | -173 | -178 | 8.2 | 0 | 0 | 112.3 | L800 G863 L864 I865 T871 | L800-Q867 HydrophobicContact CD2-CB 4.16Å; G863-Q867 WeakPolarHBondContact O-CB 3.5Å; G863-Q867 PolarHBondContact O-N 2.92Å; L864-Q867 PolarHBondContact O-N 3.47Å; I865-Q867 PolarHBondContact O-N 3.03Å; Q867-T871 WeakPolarHBondContact O-CB 3.14Å; Q867-T871 PolarHBondContact O-N 3.45Å; Q867-T871 PolarHBondContact O-OG1 3.16Å |
| 868 | V | 86.9 | Confident | 85.8 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 174.4 | 163.9 | 0 | 0 | 0 | 0 | 110.8 | L864 I865 I866 A870 T871 E872 I903 L1019 A1022 | L864-V868 WeakPolarHBondContact O-CB 3.45Å; L864-V868 VanDerWaalsContact O-CG2 3.3Å; L864-V868 WeakPolarHBondContact O-CG2 3.42Å; L864-V868 PolarHBondContact O-N 2.97Å; I865-V868 PolarHBondContact O-N 3.45Å; I866-V868 VanDerWaalsContact C-N 3.33Å; I866-V868 PolarHBondContact O-N 3Å; V868-A870 PolarHBondContact O-N 3.44Å; V868-T871 PolarHBondContact O-N 2.97Å; V868-E872 HydrophobicContact CG1-CG 4.15Å; V868-E872 WeakPolarHBondContact O-CB 3.42Å; V868-E872 VanDerWaalsContact O-CG 3.23Å; V868-E872 WeakPolarHBondContact O-CG 3.29Å; V868-E872 PolarHBondContact O-N 3.35Å; V868-I903 HydrophobicContact CG1-CD1 4.01Å; V868-I903 HydrophobicContact CG1-CG1 4.33Å; V868-I903 HydrophobicContact CG1-CG2 3.72Å; V868-L1019 HydrophobicContact CG1-CD2 3.41Å; V868-L1019 VanDerWaalsContact CG1-CD2 3.41Å; V868-A1022 HydrophobicContact CG2-CB 3.68Å |
| 869 | M | 89.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.8 | -46.1 | 176.2 | -70.3 | 169.6 | 71.9 | 0 | 0 | 111.8 | I839 I865 I866 L873 L888 M896 L899 L900 I903 | I839-M869 HydrophobicContact CD1-CE 3.85Å; I839-M869 HydrophobicContact CD1-SD 3.87Å; I865-M869 HydrophobicContact CG2-SD 3.98Å; I865-M869 VanDerWaalsContact O-CG 3.29Å; I865-M869 WeakPolarHBondContact O-CG 3.44Å; I865-M869 PolarHBondContact O-N 3.33Å; I866-M869 WeakPolarHBondContact O-CB 3.46Å; I866-M869 PolarHBondContact O-N 3.39Å; M869-L873 WeakPolarHBondContact O-CB 3.42Å; M869-L873 PolarHBondContact O-N 2.97Å; M869-L888 HydrophobicContact CB-CD1 4.15Å; M869-L888 HydrophobicContact CB-CD2 4.46Å; M869-L888 HydrophobicContact CE-CD1 4.4Å; M869-M896 HydrophobicContact CE-CG 4.27Å; M869-M896 HydrophobicContact CE-SD 3.44Å; M869-M896 WeakPolarHBondContact CE-SD 3.48Å; M869-L899 HydrophobicContact CB-CD2 3.98Å; M869-L899 HydrophobicContact CB-CG 4.35Å; M869-L899 HydrophobicContact CE-CB 3.99Å; M869-L899 HydrophobicContact CE-CD2 3.91Å; M869-L899 HydrophobicContact CE-CG 3.87Å; M869-L899 HydrophobicContact CG-CD2 4.36Å; M869-L899 HydrophobicContact CG-CG 4.23Å; M869-L900 HydrophobicContact CE-CB 3.99Å; M869-L900 HydrophobicContact SD-CB 4.22Å; M869-L900 HydrophobicContact SD-CD1 4.01Å; M869-I903 HydrophobicContact CG-CG1 3.7Å |
| 870 | A | 89.3 | Confident | 86 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | I866 V868 E872 L873 A874 L888 | I866-A870 PolarHBondContact O-N 3.3Å; V868-A870 PolarHBondContact O-N 3.44Å; A870-E872 PolarHBondContact O-N 2.94Å; A870-L873 PolarHBondContact O-N 2.78Å; A870-A874 WeakPolarHBondContact O-CB 3.15Å; A870-A874 PolarHBondContact O-N 3.06Å; A870-L888 HydrophobicContact CB-CD2 3.94Å |
| 871 | T | 83.9 | Confident | 85.4 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 31% | 0.307 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.8 | -39.9 | -178.7 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | Q867 V868 A874 H875 | Q867-T871 WeakPolarHBondContact O-CB 3.14Å; Q867-T871 PolarHBondContact O-N 3.45Å; Q867-T871 PolarHBondContact O-OG1 3.16Å; V868-T871 PolarHBondContact O-N 2.97Å; T871-A874 PolarHBondContact O-N 3.17Å; T871-H875 PolarHBondContact O-N 2.9Å |
| 872 | E | 82.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.4 | -35.9 | 177.5 | -72.1 | -72.1 | 140.7 | 0 | 0 | 112 | V868 A870 S876 I903 F909 R1015 L1019 | V868-E872 HydrophobicContact CG1-CG 4.15Å; V868-E872 WeakPolarHBondContact O-CB 3.42Å; V868-E872 VanDerWaalsContact O-CG 3.23Å; V868-E872 WeakPolarHBondContact O-CG 3.29Å; V868-E872 PolarHBondContact O-N 3.35Å; A870-E872 PolarHBondContact O-N 2.94Å; E872-S876 WeakPolarHBondContact O-CB 3.46Å; E872-S876 PolarHBondContact O-N 3.4Å; E872-S876 PolarHBondContact O-OG 2.66Å; E872-I903 HydrophobicContact CB-CD1 4.03Å; E872-I903 HydrophobicContact CG-CD1 3.74Å; E872-F909 HydrophobicContact CB-CZ 4.19Å; E872-R1015 WeakPolarHBondContact OE1-CG 3.31Å; E872-R1015 IonicContact OE1-NE 2.83Å; E872-R1015 PolarHBondContact OE1-NE 2.97Å; E872-R1015 IonicContact OE2-CZ 3.72Å; E872-R1015 IonicContact OE2-NE 3.39Å; E872-R1015 PolarHBondContact OE2-NE 3.48Å; E872-R1015 IonicContact OE2-NH2 3.11Å; E872-R1015 PolarHBondContact OE2-NH2 2.83Å; E872-L1019 HydrophobicContact CG-CD2 4.46Å |
| 873 | L | 84.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 172.7 | -168.2 | 141.5 | 0 | 0 | 0 | 111.2 | M869 A870 H875 S876 L877 A884 L891 L899 I926 | M869-L873 WeakPolarHBondContact O-CB 3.42Å; M869-L873 PolarHBondContact O-N 2.97Å; A870-L873 PolarHBondContact O-N 2.78Å; L873-H875 PolarHBondContact O-N 3.46Å; L873-S876 PolarHBondContact O-N 2.9Å; L873-L877 HydrophobicContact CD2-CD1 3.62Å; L873-L877 HydrophobicContact CD2-CG 4.42Å; L873-L877 HydrophobicContact CG-CD1 4.08Å; L873-L877 WeakPolarHBondContact O-CB 3.49Å; L873-L877 WeakPolarHBondContact O-CG 3.46Å; L873-L877 PolarHBondContact O-N 3.41Å; L873-A884 HydrophobicContact CD2-CB 3.96Å; L873-L891 HydrophobicContact CD1-CD1 4.26Å; L873-L899 HydrophobicContact CD1-CD2 4.18Å; L873-I926 HydrophobicContact CD1-CD1 4.29Å; L873-I926 HydrophobicContact CD1-CG2 4.48Å; L873-I926 HydrophobicContact CD2-CD1 4.35Å |
| 874 | A | 83.6 | Confident | 84.1 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A870 T871 R878 C879 A884 | A870-A874 WeakPolarHBondContact O-CB 3.15Å; A870-A874 PolarHBondContact O-N 3.06Å; T871-A874 PolarHBondContact O-N 3.17Å; A874-R878 VanDerWaalsContact O-CA 3.3Å; A874-R878 WeakPolarHBondContact O-CA 3.38Å; A874-R878 PolarHBondContact O-N 3.42Å; A874-C879 PolarHBondContact O-N 3.24Å; A874-A884 HydrophobicContact CB-CB 3.47Å; A874-A884 VanDerWaalsContact CB-CB 3.47Å |
| 875 | H | 80.9 | Confident | 84 | Confident | 139 Ų | 139 | 52.2 Ų | 52.2 | 64% | 0.644 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.7 | -46.6 | 178.4 | 179.6 | -92.2 | 0 | 0 | 0 | 112.1 | T871 L873 R878 | T871-H875 PolarHBondContact O-N 2.9Å; L873-H875 PolarHBondContact O-N 3.46Å; H875-R878 PolarHBondContact O-N 2.94Å |
| 876 | S | 81 | Confident | 83.7 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | -178.3 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | E872 L873 | E872-S876 WeakPolarHBondContact O-CB 3.46Å; E872-S876 PolarHBondContact O-N 3.4Å; E872-S876 PolarHBondContact O-OG 2.66Å; L873-S876 PolarHBondContact O-N 2.9Å |
| 877 | L | 79.7 | Confident | 83.5 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -83.8 | -10.2 | 177.2 | -65.9 | -175.5 | 0 | 0 | 0 | 114.2 | L873 C879 V911 R913 I926 | L873-L877 HydrophobicContact CD2-CD1 3.62Å; L873-L877 HydrophobicContact CD2-CG 4.42Å; L873-L877 HydrophobicContact CG-CD1 4.08Å; L873-L877 WeakPolarHBondContact O-CB 3.49Å; L873-L877 WeakPolarHBondContact O-CG 3.46Å; L873-L877 PolarHBondContact O-N 3.41Å; L877-C879 VanDerWaalsContact C-N 3.25Å; L877-C879 HydrophobicContact CB-CB 4.4Å; L877-C879 PolarHBondContact O-N 3.36Å; L877-V911 HydrophobicContact CD2-CB 4.16Å; L877-V911 HydrophobicContact CD2-CG1 3.67Å; L877-V911 HydrophobicContact CG-CG1 4.03Å; L877-R913 HydrophobicContact CD2-CG 3.97Å; L877-I926 HydrophobicContact CD1-CD1 3.99Å; L877-I926 HydrophobicContact CD1-CG1 4.36Å |
| 878 | R | 81.4 | Confident | 83.5 | Confident | 232 Ų | 232 | 51.7 Ų | 51.7 | 88% | 0.875 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 37.7 | -174 | -54.6 | -177.3 | 178.7 | -171.5 | 1.5 | 113.6 | A874 H875 | A874-R878 VanDerWaalsContact O-CA 3.3Å; A874-R878 WeakPolarHBondContact O-CA 3.38Å; A874-R878 PolarHBondContact O-N 3.42Å; H875-R878 PolarHBondContact O-N 2.94Å |
| 879 | C | 84.1 | Confident | 83.6 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | trans | -105.8 | 175.2 | -178.1 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | A874 L877 E883 | A874-C879 PolarHBondContact O-N 3.24Å; L877-C879 VanDerWaalsContact C-N 3.25Å; L877-C879 HydrophobicContact CB-CB 4.4Å; L877-C879 PolarHBondContact O-N 3.36Å; C879-E883 HydrophobicContact CB-CB 3.93Å; C879-E883 WeakPolarHBondContact CB-OE2 3.11Å | ||
| 880 | S | 84 | Confident | 83.6 | Confident | 52 Ų | 52 | 54 Ų | 54 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | trans | -65 | 162.5 | 170.7 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | E882 E883 A884 | S880-E882 VanDerWaalsContact C-N 3.26Å; S880-E882 PolarHBondContact O-N 3.4Å; S880-E883 WeakPolarHBondContact CB-OE1 3.38Å; S880-E883 PolarHBondContact N-OE1 3.48Å; S880-E883 VanDerWaalsContact N-OE1 3.16Å; S880-E883 WeakPolarHBondContact OG-CB 3.44Å; S880-E883 VanDerWaalsContact OG-CG 3.27Å; S880-E883 WeakPolarHBondContact OG-CG 3.48Å; S880-E883 PolarHBondContact OG-N 3.41Å; S880-E883 PolarHBondContact OG-OE1 2.91Å; S880-A884 WeakPolarHBondContact O-CB 3.12Å; S880-A884 PolarHBondContact O-N 2.88Å | ||
| 881 | A | 76 | Confident | 83.7 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 60% | 0.603 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67 | -28.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T885 | A881-T885 WeakPolarHBondContact O-CB 3.4Å; A881-T885 PolarHBondContact O-N 3.07Å; A881-T885 PolarHBondContact O-OG1 3.33Å |
| 882 | E | 78.1 | Confident | 84.1 | Confident | 142 Ų | 142 | 52.4 Ų | 52.4 | 66% | 0.664 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.4 | -53.5 | 176.2 | -66.7 | 173.9 | 178 | 0 | 0 | 110.2 | S880 A884 T885 E886 | S880-E882 VanDerWaalsContact C-N 3.26Å; S880-E882 PolarHBondContact O-N 3.4Å; E882-A884 PolarHBondContact O-N 3.38Å; E882-T885 PolarHBondContact O-N 3.15Å; E882-E886 PolarHBondContact O-N 2.82Å |
| 883 | E | 80.8 | Confident | 84.5 | Confident | 80 Ų | 80 | 52.1 Ų | 52.1 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54.8 | -37.2 | 172.3 | -77.4 | 170.5 | -95.2 | 0 | 0 | 112.8 | C879 S880 G887 R913 | C879-E883 HydrophobicContact CB-CB 3.93Å; C879-E883 WeakPolarHBondContact CB-OE2 3.11Å; S880-E883 WeakPolarHBondContact CB-OE1 3.38Å; S880-E883 PolarHBondContact N-OE1 3.48Å; S880-E883 VanDerWaalsContact N-OE1 3.16Å; S880-E883 WeakPolarHBondContact OG-CB 3.44Å; S880-E883 VanDerWaalsContact OG-CG 3.27Å; S880-E883 WeakPolarHBondContact OG-CG 3.48Å; S880-E883 PolarHBondContact OG-N 3.41Å; S880-E883 PolarHBondContact OG-OE1 2.91Å; E883-G887 PolarHBondContact O-N 3.33Å; E883-R913 IonicContact OE2-CZ 2.83Å; E883-R913 IonicContact OE2-NH1 2.65Å; E883-R913 IonicContact OE2-NH2 2.98Å; E883-R913 PolarHBondContact OE2-NH2 2.92Å |
| 884 | A | 84.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.8 | -34 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L873 A874 S880 E882 L888 | L873-A884 HydrophobicContact CD2-CB 3.96Å; A874-A884 HydrophobicContact CB-CB 3.47Å; A874-A884 VanDerWaalsContact CB-CB 3.47Å; S880-A884 WeakPolarHBondContact O-CB 3.12Å; S880-A884 PolarHBondContact O-N 2.88Å; E882-A884 PolarHBondContact O-N 3.38Å; A884-L888 VanDerWaalsContact O-CB 3.26Å; A884-L888 WeakPolarHBondContact O-CB 3.44Å; A884-L888 PolarHBondContact O-N 2.99Å |
| 885 | T | 85.6 | Confident | 85.2 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72.1 | -42.7 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | A881 E882 L888 M889 | A881-T885 WeakPolarHBondContact O-CB 3.4Å; A881-T885 PolarHBondContact O-N 3.07Å; A881-T885 PolarHBondContact O-OG1 3.33Å; E882-T885 PolarHBondContact O-N 3.15Å; T885-L888 WeakPolarHBondContact O-CB 3.24Å; T885-L888 PolarHBondContact O-N 3.49Å; T885-M889 WeakPolarHBondContact O-CG 3.37Å; T885-M889 PolarHBondContact O-N 2.86Å |
| 886 | E | 83.7 | Confident | 85.7 | Confident | 96 Ų | 96 | 46 Ų | 46 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 172.5 | -171.6 | -170.3 | 159.1 | 0 | 0 | 111.6 | E882 L888 M889 N890 | E882-E886 PolarHBondContact O-N 2.82Å; E886-L888 VanDerWaalsContact C-N 3.3Å; E886-L888 PolarHBondContact O-N 3.39Å; E886-M889 PolarHBondContact O-N 3.38Å; E886-N890 PolarHBondContact O-N 3.18Å; E886-N890 PolarHBondContact O-ND2 3.33Å |
| 887 | G | 85.6 | Confident | 86.3 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E883 N890 L891 | E883-G887 PolarHBondContact O-N 3.33Å; G887-N890 PolarHBondContact O-N 3.47Å; G887-L891 WeakPolarHBondContact O-CG 3.47Å; G887-L891 PolarHBondContact O-N 2.99Å |
| 888 | L | 88.6 | Confident | 86.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -48.9 | 173.3 | -175.6 | 67.9 | 0 | 0 | 0 | 111.1 | L835 I866 M869 A870 A884 T885 E886 N890 L891 M896 L899 | L835-L888 HydrophobicContact CD2-CD2 4.37Å; I866-L888 HydrophobicContact CG2-CD2 4.23Å; M869-L888 HydrophobicContact CB-CD1 4.15Å; M869-L888 HydrophobicContact CB-CD2 4.46Å; M869-L888 HydrophobicContact CE-CD1 4.4Å; A870-L888 HydrophobicContact CB-CD2 3.94Å; A884-L888 VanDerWaalsContact O-CB 3.26Å; A884-L888 WeakPolarHBondContact O-CB 3.44Å; A884-L888 PolarHBondContact O-N 2.99Å; T885-L888 WeakPolarHBondContact O-CB 3.24Å; T885-L888 PolarHBondContact O-N 3.49Å; E886-L888 VanDerWaalsContact C-N 3.3Å; E886-L888 PolarHBondContact O-N 3.39Å; L888-N890 PolarHBondContact O-N 2.89Å; L888-L891 HydrophobicContact CD1-CD1 4Å; L888-L891 PolarHBondContact O-N 3.31Å; L888-L891 VanDerWaalsContact O-N 3.16Å; L888-M896 HydrophobicContact CD1-CE 3.84Å; L888-M896 HydrophobicContact CD1-SD 3.66Å; L888-M896 HydrophobicContact CG-CE 3.99Å; L888-M896 HydrophobicContact CG-SD 4.35Å; L888-M896 WeakPolarHBondContact O-CE 3.32Å; L888-L899 HydrophobicContact CD1-CD2 3.76Å |
| 889 | M | 88.1 | Confident | 87.2 | Confident | 24 Ų | 24 | 34.8 Ų | 34.8 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.4 | -23.6 | 178.8 | -69.1 | -62.6 | -176.9 | 0 | 0 | 113.5 | G766 R769 N831 I832 L835 T885 E886 | G766-M889 WeakPolarHBondContact CA-O 3.49Å; G766-M889 PolarHBondContact N-O 3.01Å; R769-M889 PolarHBondContact NH1-O 2.88Å; N831-M889 HydrophobicContact CB-CE 3.94Å; N831-M889 HydrophobicContact CB-SD 4.06Å; I832-M889 HydrophobicContact CG1-CE 3.94Å; L835-M889 HydrophobicContact CB-SD 4.44Å; L835-M889 HydrophobicContact CD2-CE 3.89Å; L835-M889 HydrophobicContact CD2-SD 3.88Å; T885-M889 WeakPolarHBondContact O-CG 3.37Å; T885-M889 PolarHBondContact O-N 2.86Å; E886-M889 PolarHBondContact O-N 3.38Å |
| 890 | N | 89.4 | Confident | 87.6 | Confident | 37 Ų | 37 | 33.6 Ų | 33.6 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 1.4 | 176.8 | -78.9 | -45.8 | 0 | 0 | 0 | 115 | G766 E886 G887 L888 | G766-N890 VanDerWaalsContact CA-OD1 3.27Å; G766-N890 WeakPolarHBondContact CA-OD1 3.25Å; G766-N890 PolarHBondContact N-OD1 3.21Å; E886-N890 PolarHBondContact O-N 3.18Å; E886-N890 PolarHBondContact O-ND2 3.33Å; G887-N890 PolarHBondContact O-N 3.47Å; L888-N890 PolarHBondContact O-N 2.89Å |
| 891 | L | 91.3 | Very high | 87.9 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -66.6 | 141.9 | 172.5 | -65 | -176 | 0 | 0 | 0 | 111.7 | R769 L873 G887 L888 A895 M896 L899 I926 | R769-L891 PolarHBondContact NH1-O 3.01Å; R769-L891 PolarHBondContact NH2-O 3.19Å; R769-L891 VanDerWaalsContact NH2-O 3.15Å; L873-L891 HydrophobicContact CD1-CD1 4.26Å; G887-L891 WeakPolarHBondContact O-CG 3.47Å; G887-L891 PolarHBondContact O-N 2.99Å; L888-L891 HydrophobicContact CD1-CD1 4Å; L888-L891 PolarHBondContact O-N 3.31Å; L888-L891 VanDerWaalsContact O-N 3.16Å; L891-A895 HydrophobicContact CB-CB 4.18Å; L891-A895 HydrophobicContact CD2-CB 4.34Å; L891-M896 HydrophobicContact CB-CB 4.37Å; L891-M896 HydrophobicContact CB-CE 4.18Å; L891-M896 HydrophobicContact CD1-CE 4.38Å; L891-M896 HydrophobicContact CD1-SD 4.37Å; L891-L899 HydrophobicContact CD1-CD2 3.92Å; L891-I926 HydrophobicContact CD2-CB 3.69Å; L891-I926 HydrophobicContact CD2-CD1 4.1Å; L891-I926 HydrophobicContact CD2-CG1 4.43Å; L891-I926 HydrophobicContact CD2-CG2 3.95Å |
| 892 | S | 91.9 | Very high | 88.4 | Confident | 25 Ų | 25 | 30.2 Ų | 30.2 | 18% | 0.175 | 16% | 0.16 | C | C | . | . | trans | -61.4 | 155.5 | 167.9 | 72.1 | 0 | 0 | 0 | 0 | 111.5 | D535 S894 A895 M896 | D535-S892 WeakPolarHBondContact OD2-CB 3.38Å; D535-S892 PolarHBondContact OD2-OG 3.29Å; S892-S894 VanDerWaalsContact C-N 3.26Å; S892-S894 PolarHBondContact O-N 2.62Å; S892-S894 PolarHBondContact OG-OG 3.4Å; S892-S894 VanDerWaalsContact OG-OG 3.13Å; S892-A895 PolarHBondContact O-N 3.41Å; S892-A895 VanDerWaalsContact O-N 3.08Å; S892-A895 WeakPolarHBondContact OG-CB 3.49Å; S892-A895 PolarHBondContact OG-N 2.79Å; S892-A895 VanDerWaalsContact OG-N 3.17Å; S892-M896 WeakPolarHBondContact O-CB 3.4Å; S892-M896 PolarHBondContact O-N 3.38Å | ||
| 893 | P | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -46.2 | -46.5 | 172.3 | -33.4 | 37.6 | 0 | 0 | 0 | 114.2 | Y531 L532 D535 M538 W765 Y842 M896 K897 | Y531-P893 HydrophobicContact CD2-CG 4.48Å; L532-P893 HydrophobicContact CD2-CB 3.7Å; L532-P893 HydrophobicContact CD2-CG 3.97Å; D535-P893 HydrophobicContact CB-CB 4.18Å; D535-P893 HydrophobicContact CB-CG 4.03Å; M538-P893 HydrophobicContact CB-CB 4.17Å; M538-P893 HydrophobicContact CG-CB 4.05Å; W765-P893 HydrophobicContact CE3-CG 4.19Å; W765-P893 HydrophobicContact CZ3-CG 3.99Å; Y842-P893 WeakPolarHBondContact OH-CA 3.5Å; Y842-P893 WeakPolarHBondContact OH-CB 3.38Å; P893-M896 PolarHBondContact O-N 3.2Å; P893-K897 VanDerWaalsContact O-CB 3.28Å; P893-K897 WeakPolarHBondContact O-CB 3.44Å; P893-K897 PolarHBondContact O-N 2.97Å |
| 894 | S | 91.6 | Very high | 89.1 | Confident | 10 Ų | 10 | 19.7 Ų | 19.7 | 7% | 0.07 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.9 | -39.9 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | D535 S892 K897 N898 | D535-S894 PolarHBondContact OD1-OG 3.13Å; D535-S894 WeakPolarHBondContact OD2-CB 3.37Å; D535-S894 PolarHBondContact OD2-N 3.43Å; D535-S894 PolarHBondContact OD2-OG 2.91Å; S892-S894 VanDerWaalsContact C-N 3.26Å; S892-S894 PolarHBondContact O-N 2.62Å; S892-S894 PolarHBondContact OG-OG 3.4Å; S892-S894 VanDerWaalsContact OG-OG 3.13Å; S894-K897 PolarHBondContact O-N 3.37Å; S894-N898 WeakPolarHBondContact O-CB 3.44Å; S894-N898 PolarHBondContact O-N 3.25Å; S894-N898 PolarHBondContact O-ND2 2.62Å |
| 895 | A | 91 | Very high | 89.1 | Confident | 16 Ų | 16 | 21 Ų | 21 | 13% | 0.132 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.2 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L891 S892 N898 L899 | L891-A895 HydrophobicContact CB-CB 4.18Å; L891-A895 HydrophobicContact CD2-CB 4.34Å; S892-A895 PolarHBondContact O-N 3.41Å; S892-A895 VanDerWaalsContact O-N 3.08Å; S892-A895 WeakPolarHBondContact OG-CB 3.49Å; S892-A895 PolarHBondContact OG-N 2.79Å; S892-A895 VanDerWaalsContact OG-N 3.17Å; A895-N898 PolarHBondContact O-N 3.37Å; A895-L899 PolarHBondContact O-N 3.27Å |
| 896 | M | 92.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 173.8 | -175.3 | 66.2 | 74.4 | 0 | 0 | 111.3 | L835 I839 Y842 M869 L888 L891 S892 P893 N898 L899 L900 | L835-M896 HydrophobicContact CD1-CE 3.49Å; L835-M896 VanDerWaalsContact CD1-CE 3.49Å; L835-M896 HydrophobicContact CD1-CG 4.23Å; L835-M896 HydrophobicContact CD1-SD 3.91Å; L835-M896 HydrophobicContact CD2-CE 4.47Å; I839-M896 HydrophobicContact CD1-CG 4.02Å; I839-M896 HydrophobicContact CD1-SD 4.16Å; Y842-M896 HydrophobicContact CD2-CG 4.32Å; Y842-M896 HydrophobicContact CE2-CB 4.06Å; Y842-M896 HydrophobicContact CE2-CG 3.73Å; M869-M896 HydrophobicContact CE-CG 4.27Å; M869-M896 HydrophobicContact CE-SD 3.44Å; M869-M896 WeakPolarHBondContact CE-SD 3.48Å; L888-M896 HydrophobicContact CD1-CE 3.84Å; L888-M896 HydrophobicContact CD1-SD 3.66Å; L888-M896 HydrophobicContact CG-CE 3.99Å; L888-M896 HydrophobicContact CG-SD 4.35Å; L888-M896 WeakPolarHBondContact O-CE 3.32Å; L891-M896 HydrophobicContact CB-CB 4.37Å; L891-M896 HydrophobicContact CB-CE 4.18Å; L891-M896 HydrophobicContact CD1-CE 4.38Å; L891-M896 HydrophobicContact CD1-SD 4.37Å; S892-M896 WeakPolarHBondContact O-CB 3.4Å; S892-M896 PolarHBondContact O-N 3.38Å; P893-M896 PolarHBondContact O-N 3.2Å; M896-N898 PolarHBondContact O-N 3.19Å; M896-L899 PolarHBondContact O-N 3.07Å; M896-L900 PolarHBondContact O-N 2.89Å |
| 897 | K | 91.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 17.3 Ų | 17.3 | 1% | 0.013 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 176.8 | 177.2 | 172 | 176 | -59.5 | 0 | 112.1 | M538 E541 Y842 M845 Y846 P893 S894 L900 H901 | M538-K897 HydrophobicContact CE-CD 4.18Å; M538-K897 HydrophobicContact SD-CD 3.91Å; E541-K897 HydrophobicContact CG-CD 4.3Å; E541-K897 IonicContact OE1-NZ 3.73Å; E541-K897 PolarHBondContact OE1-NZ 3Å; Y842-K897 HydrophobicContact CD1-CB 4.17Å; Y842-K897 HydrophobicContact CD1-CD 4.05Å; Y842-K897 HydrophobicContact CD1-CG 4.31Å; Y842-K897 HydrophobicContact CD2-CB 3.99Å; Y842-K897 HydrophobicContact CE1-CB 4.42Å; Y842-K897 HydrophobicContact CE2-CB 4.27Å; Y842-K897 HydrophobicContact CG-CB 3.96Å; Y842-K897 HydrophobicContact CG-CD 4.38Å; Y842-K897 HydrophobicContact CG-CG 4.16Å; M845-K897 HydrophobicContact CE-CD 4.36Å; M845-K897 HydrophobicContact SD-CD 4.16Å; Y846-K897 HydrophobicContact CE2-CG 3.71Å; Y846-K897 WeakPolarHBondContact CE2-O 3.49Å; Y846-K897 VanDerWaalsContact OH-CG 3.26Å; Y846-K897 WeakPolarHBondContact OH-CG 3.37Å; Y846-K897 PolarHBondContact OH-NZ 3.08Å; Y846-K897 PolarHBondContact OH-O 3.37Å; P893-K897 VanDerWaalsContact O-CB 3.28Å; P893-K897 WeakPolarHBondContact O-CB 3.44Å; P893-K897 PolarHBondContact O-N 2.97Å; S894-K897 PolarHBondContact O-N 3.37Å; K897-L900 WeakPolarHBondContact O-CB 3.37Å; K897-L900 PolarHBondContact O-N 2.94Å; K897-H901 PolarHBondContact O-N 3.38Å; K897-H901 VanDerWaalsContact O-N 3.08Å |
| 898 | N | 89.6 | Confident | 87 | Confident | 58 Ų | 58 | 20.4 Ų | 20.4 | 31% | 0.31 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -66.2 | -43.5 | 175.3 | -71.1 | -24.2 | 0 | 0 | 0 | 112.5 | S894 A895 M896 L900 H901 H902 | S894-N898 WeakPolarHBondContact O-CB 3.44Å; S894-N898 PolarHBondContact O-N 3.25Å; S894-N898 PolarHBondContact O-ND2 2.62Å; A895-N898 PolarHBondContact O-N 3.37Å; M896-N898 PolarHBondContact O-N 3.19Å; N898-L900 VanDerWaalsContact C-N 3.31Å; N898-L900 PolarHBondContact O-N 3.33Å; N898-H901 WeakPolarHBondContact O-CB 3.5Å; N898-H901 PolarHBondContact O-N 2.83Å; N898-H902 PolarHBondContact O-CD2 3.48Å; N898-H902 PolarHBondContact O-N 2.58Å; N898-H902 VanDerWaalsContact O-N 3.07Å |
| 899 | L | 90.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.3 | -47.1 | 173.9 | -178.5 | 56.1 | 0 | 0 | 0 | 110.8 | M869 L873 L888 L891 A895 M896 H901 H902 I903 F909 I928 | M869-L899 HydrophobicContact CB-CD2 3.98Å; M869-L899 HydrophobicContact CB-CG 4.35Å; M869-L899 HydrophobicContact CE-CB 3.99Å; M869-L899 HydrophobicContact CE-CD2 3.91Å; M869-L899 HydrophobicContact CE-CG 3.87Å; M869-L899 HydrophobicContact CG-CD2 4.36Å; M869-L899 HydrophobicContact CG-CG 4.23Å; L873-L899 HydrophobicContact CD1-CD2 4.18Å; L888-L899 HydrophobicContact CD1-CD2 3.76Å; L891-L899 HydrophobicContact CD1-CD2 3.92Å; A895-L899 PolarHBondContact O-N 3.27Å; M896-L899 PolarHBondContact O-N 3.07Å; L899-H901 VanDerWaalsContact C-N 3.34Å; L899-H901 PolarHBondContact O-N 3.48Å; L899-H902 PolarHBondContact O-N 2.86Å; L899-I903 WeakPolarHBondContact O-CG1 3.41Å; L899-I903 PolarHBondContact O-N 2.81Å; L899-F909 HydrophobicContact CD1-CE2 3.58Å; L899-F909 HydrophobicContact CD1-CZ 3.59Å; L899-I928 HydrophobicContact CB-CD1 3.74Å; L899-I928 HydrophobicContact CD1-CD1 4.22Å; L899-I928 HydrophobicContact CG-CD1 4.38Å |
| 900 | L | 92.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.3 | -43.4 | 176.5 | 178.2 | 63.8 | 0 | 0 | 0 | 112.2 | I839 L843 Y846 I865 M869 M896 K897 N898 H902 I903 L904 | I839-L900 HydrophobicContact CD1-CD2 4.4Å; I839-L900 HydrophobicContact CG2-CD2 4.37Å; L843-L900 HydrophobicContact CD2-CD1 4.26Å; L843-L900 HydrophobicContact CD2-CD2 4.18Å; L843-L900 HydrophobicContact CG-CD2 4.14Å; Y846-L900 HydrophobicContact CD2-CD2 4.25Å; Y846-L900 HydrophobicContact CE2-CD2 4.34Å; I865-L900 HydrophobicContact CG2-CD1 3.46Å; I865-L900 VanDerWaalsContact CG2-CD1 3.46Å; M869-L900 HydrophobicContact CE-CB 3.99Å; M869-L900 HydrophobicContact SD-CB 4.22Å; M869-L900 HydrophobicContact SD-CD1 4.01Å; M896-L900 PolarHBondContact O-N 2.89Å; K897-L900 WeakPolarHBondContact O-CB 3.37Å; K897-L900 PolarHBondContact O-N 2.94Å; N898-L900 VanDerWaalsContact C-N 3.31Å; N898-L900 PolarHBondContact O-N 3.33Å; L900-H902 VanDerWaalsContact C-N 3.32Å; L900-H902 PolarHBondContact O-N 2.81Å; L900-I903 PolarHBondContact O-N 3.26Å; L900-L904 HydrophobicContact CD1-CD1 4.08Å; L900-L904 HydrophobicContact CD1-CG 4.12Å; L900-L904 HydrophobicContact CG-CD1 3.94Å; L900-L904 HydrophobicContact CG-CG 4.39Å; L900-L904 WeakPolarHBondContact O-CB 3.35Å; L900-L904 WeakPolarHBondContact O-CG 3.48Å; L900-L904 PolarHBondContact O-N 2.84Å |
| 901 | H | 90.8 | Very high | 84.2 | Confident | 38 Ų | 38 | 19.6 Ų | 19.6 | 18% | 0.176 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.7 | -36.7 | 174.5 | 169.7 | -92.3 | 0 | 0 | 0 | 113.1 | Y846 Q850 K897 N898 L899 S905 | Y846-H901 HydrophobicContact CE1-CB 3.97Å; Y846-H901 AromaticContact CE1-CD2 3.95Å; Y846-H901 HydrophobicContact CE2-CB 4.09Å; Y846-H901 WeakPolarHBondContact OH-CB 3.26Å; Q850-H901 PolarHBondContact OE1-NE2 2.79Å; K897-H901 PolarHBondContact O-N 3.38Å; K897-H901 VanDerWaalsContact O-N 3.08Å; N898-H901 WeakPolarHBondContact O-CB 3.5Å; N898-H901 PolarHBondContact O-N 2.83Å; L899-H901 VanDerWaalsContact C-N 3.34Å; L899-H901 PolarHBondContact O-N 3.48Å; H901-S905 VanDerWaalsContact O-CB 3.25Å; H901-S905 WeakPolarHBondContact O-CB 3.42Å; H901-S905 PolarHBondContact O-N 2.73Å; H901-S905 PolarHBondContact O-OG 3Å |
| 902 | H | 86.1 | Confident | 83 | Confident | 16 Ų | 16 | 25.5 Ų | 25.5 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.2 | -40.4 | 175.2 | -70.9 | -68.1 | 0 | 0 | 0 | 112.3 | N898 L899 L900 S905 G906 F909 | N898-H902 PolarHBondContact O-CD2 3.48Å; N898-H902 PolarHBondContact O-N 2.58Å; N898-H902 VanDerWaalsContact O-N 3.07Å; L899-H902 PolarHBondContact O-N 2.86Å; L900-H902 VanDerWaalsContact C-N 3.32Å; L900-H902 PolarHBondContact O-N 2.81Å; H902-S905 PolarHBondContact O-OG 2.67Å; H902-G906 PolarHBondContact O-N 3.25Å; H902-F909 HydrophobicContact CB-CB 4.31Å; H902-F909 HydrophobicContact CB-CD1 3.42Å; H902-F909 VanDerWaalsContact CB-CD1 3.42Å; H902-F909 HydrophobicContact CB-CE1 3.7Å; H902-F909 HydrophobicContact CB-CG 3.88Å; H902-F909 HydrophobicContact CB-CZ 4.4Å; H902-F909 AromaticContact CG-CD1 3.96Å; H902-F909 AromaticContact CG-CG 3.95Å |
| 903 | I | 87.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60 | -48.9 | 172.2 | -61.8 | -45.5 | 0 | 0 | 0 | 111.1 | V868 M869 E872 L899 L900 G906 F909 L1019 | V868-I903 HydrophobicContact CG1-CD1 4.01Å; V868-I903 HydrophobicContact CG1-CG1 4.33Å; V868-I903 HydrophobicContact CG1-CG2 3.72Å; M869-I903 HydrophobicContact CG-CG1 3.7Å; E872-I903 HydrophobicContact CB-CD1 4.03Å; E872-I903 HydrophobicContact CG-CD1 3.74Å; L899-I903 WeakPolarHBondContact O-CG1 3.41Å; L899-I903 PolarHBondContact O-N 2.81Å; L900-I903 PolarHBondContact O-N 3.26Å; I903-G906 PolarHBondContact O-N 3.12Å; I903-F909 HydrophobicContact CD1-CE1 4.14Å; I903-F909 HydrophobicContact CD1-CZ 4.13Å; I903-L1019 HydrophobicContact CD1-CD2 4.33Å; I903-L1019 HydrophobicContact CG2-CD2 4.28Å |
| 904 | L | 87.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.1 | -45.6 | -179.7 | -66.7 | 173.8 | 0 | 0 | 0 | 112 | L843 Y846 L853 F854 M857 L900 G906 L1023 R1025 | L843-L904 HydrophobicContact CD2-CD1 3.95Å; L843-L904 HydrophobicContact CD2-CD2 4.44Å; Y846-L904 HydrophobicContact CD2-CD1 4.37Å; L853-L904 HydrophobicContact CB-CB 4.45Å; L853-L904 HydrophobicContact CD1-CB 4.39Å; F854-L904 HydrophobicContact CE1-CD1 4.06Å; F854-L904 HydrophobicContact CE1-CD2 4.23Å; F854-L904 HydrophobicContact CZ-CD1 3.85Å; M857-L904 HydrophobicContact CE-CD2 4.48Å; L900-L904 HydrophobicContact CD1-CD1 4.08Å; L900-L904 HydrophobicContact CD1-CG 4.12Å; L900-L904 HydrophobicContact CG-CD1 3.94Å; L900-L904 HydrophobicContact CG-CG 4.39Å; L900-L904 WeakPolarHBondContact O-CB 3.35Å; L900-L904 WeakPolarHBondContact O-CG 3.48Å; L900-L904 PolarHBondContact O-N 2.84Å; L904-G906 PolarHBondContact O-N 3.28Å; L904-L1023 HydrophobicContact CD2-CD1 4.43Å; L904-L1023 HydrophobicContact CD2-CD2 4.12Å; L904-R1025 PolarHBondContact O-NH1 3.05Å; L904-R1025 PolarHBondContact O-NH2 3.24Å |
| 905 | S | 84.1 | Confident | 77.6 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 21% | 0.21 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -21.7 | 177.4 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | H901 H902 K907 | H901-S905 VanDerWaalsContact O-CB 3.25Å; H901-S905 WeakPolarHBondContact O-CB 3.42Å; H901-S905 PolarHBondContact O-N 2.73Å; H901-S905 PolarHBondContact O-OG 3Å; H902-S905 PolarHBondContact O-OG 2.67Å; S905-K907 PolarHBondContact O-N 3.1Å |
| 906 | G | 73.1 | Confident | 75.2 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 12% | 0.124 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 19.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | H902 I903 L904 | H902-G906 PolarHBondContact O-N 3.25Å; I903-G906 PolarHBondContact O-N 3.12Å; L904-G906 PolarHBondContact O-N 3.28Å |
| 907 | K | 70.4 | Confident | 72.3 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | trans | -74.7 | 162 | 172.8 | -71.7 | 179 | 167.7 | -170.7 | 0 | 110.5 | S905 E930 | S905-K907 PolarHBondContact O-N 3.1Å; K907-E930 VanDerWaalsContact CD-OE1 3.31Å; K907-E930 WeakPolarHBondContact CD-OE1 3.29Å; K907-E930 WeakPolarHBondContact CE-OE1 3.2Å; K907-E930 IonicContact NZ-OE1 3.35Å; K907-E930 PolarHBondContact NZ-OE1 3.03Å | ||
| 908 | E | 67.5 | Low | 69.5 | Low | 79 Ų | 79 | 55.1 Ų | 55.1 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | trans | -82.8 | 146.8 | 168.1 | -66.5 | -179.5 | -176.9 | 0 | 0 | 110.2 | Q1012 | E908-Q1012 PolarHBondContact OE1-NE2 2.91Š| ||
| 909 | F | 71.3 | Confident | 66.8 | Low | 13 Ų | 13 | 58.6 Ų | 58.6 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 150.8 | -177.8 | 61.5 | -86.7 | 0 | 0 | 0 | 109.7 | E872 L899 H902 I903 V911 I928 H929 R1015 | E872-F909 HydrophobicContact CB-CZ 4.19Å; L899-F909 HydrophobicContact CD1-CE2 3.58Å; L899-F909 HydrophobicContact CD1-CZ 3.59Å; H902-F909 HydrophobicContact CB-CB 4.31Å; H902-F909 HydrophobicContact CB-CD1 3.42Å; H902-F909 VanDerWaalsContact CB-CD1 3.42Å; H902-F909 HydrophobicContact CB-CE1 3.7Å; H902-F909 HydrophobicContact CB-CG 3.88Å; H902-F909 HydrophobicContact CB-CZ 4.4Å; H902-F909 AromaticContact CG-CD1 3.96Å; H902-F909 AromaticContact CG-CG 3.95Å; I903-F909 HydrophobicContact CD1-CE1 4.14Å; I903-F909 HydrophobicContact CD1-CZ 4.13Å; F909-V911 HydrophobicContact CD2-CG2 3.71Å; F909-V911 HydrophobicContact CE2-CG2 3.64Å; F909-I928 HydrophobicContact CD2-CG2 3.95Å; F909-H929 CarbonylContact C-O 3.58Å; F909-H929 WeakPolarHBondContact CA-O 3.31Å; F909-R1015 VanDerWaalsContact CE1-NH2 3.28Å |
| 910 | G | 64.3 | Low | 64.2 | Low | 18 Ų | 18 | 64 Ų | 64 | 19% | 0.186 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 147.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I928 H929 | G910-I928 WeakPolarHBondContact O-CA 3.45Å; G910-H929 PolarHBondContact N-O 3.02Å; G910-H929 PolarHBondContact O-N 2.89Å |
| 911 | V | 70.6 | Confident | 61.6 | Low | 15 Ų | 15 | 71 Ų | 71 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.4 | 174.2 | -169.5 | 0 | 0 | 0 | 0 | 108.1 | L877 F909 I926 S927 I928 | L877-V911 HydrophobicContact CD2-CB 4.16Å; L877-V911 HydrophobicContact CD2-CG1 3.67Å; L877-V911 HydrophobicContact CG-CG1 4.03Å; F909-V911 HydrophobicContact CD2-CG2 3.71Å; F909-V911 HydrophobicContact CE2-CG2 3.64Å; V911-I926 HydrophobicContact CG1-CG2 3.37Å; V911-S927 WeakPolarHBondContact CA-O 3.24Å; V911-I928 HydrophobicContact CG1-CG1 4.33Å; V911-I928 HydrophobicContact CG2-CG1 4.41Å |
| 912 | E | 67.1 | Low | 59.3 | Low | 129 Ų | 129 | 74.3 Ų | 74.3 | 60% | 0.603 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 134.5 | -178.9 | -65.3 | -176.6 | 179.2 | 0 | 0 | 110.5 | S914 S927 | E912-S914 PolarHBondContact O-N 2.67Å; E912-S927 PolarHBondContact N-O 2.98Å; E912-S927 PolarHBondContact O-N 2.99Å; E912-S927 PolarHBondContact O-OG 3.4Å |
| 913 | R | 65.3 | Low | 57.3 | Low | 118 Ų | 118 | 75.7 Ų | 75.7 | 45% | 0.445 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 108.7 | 169.1 | -71.9 | -177.2 | 178.9 | 177 | -0.3 | 108.2 | L877 E883 V915 | L877-R913 HydrophobicContact CD2-CG 3.97Å; E883-R913 IonicContact OE2-CZ 2.83Å; E883-R913 IonicContact OE2-NH1 2.65Å; E883-R913 IonicContact OE2-NH2 2.98Å; E883-R913 PolarHBondContact OE2-NH2 2.92Å; R913-V915 PolarHBondContact O-N 2.95Å |
| 914 | S | 53.3 | Low | 55.4 | Low | 50 Ų | 50 | 79.3 Ų | 79.3 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 109.9 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | E912 R916 A925 | E912-S914 PolarHBondContact O-N 2.67Å; S914-R916 PolarHBondContact O-N 3.31Å; S914-A925 WeakPolarHBondContact CA-O 3.3Å; S914-A925 VanDerWaalsContact CB-O 3.25Å; S914-A925 WeakPolarHBondContact CB-O 3.24Å; S914-A925 PolarHBondContact N-O 3.01Å |
| 915 | V | 43.4 | Very low | 54 | Low | 123 Ų | 123 | 81.7 Ų | 81.7 | 75% | 0.745 | 46% | 0.462 | S | S | * | . | trans | -85.6 | 96.3 | 168.5 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | R913 | R913-V915 PolarHBondContact O-N 2.95Š| ||
| 916 | R | 39.3 | Very low | 53.2 | Low | 157 Ų | 157 | 81.7 Ų | 81.7 | 59% | 0.592 | 46% | 0.459 | S | S | * | . | trans | -69.7 | 132.3 | 165.8 | -73.7 | -170 | 179.5 | -173.5 | 2.6 | 108.2 | E573 S914 T918 | E573-R916 IonicContact OE1-NH1 2.79Å; E573-R916 PolarHBondContact OE1-NH1 3.32Å; E573-R916 VanDerWaalsContact OE1-NH1 3.08Å; E573-R916 IonicContact OE2-NH1 2.77Å; S914-R916 PolarHBondContact O-N 3.31Å; R916-T918 PolarHBondContact O-N 3.21Å; R916-T918 VanDerWaalsContact O-N 3.12Å | ||
| 917 | P | 32.2 | Very low | 52.9 | Low | 128 Ų | 128 | 82.6 Ų | 82.6 | 83% | 0.831 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -76.7 | 13.6 | -174.5 | -19.3 | 34.2 | 0 | 0 | 0 | 116.8 | ||
| 918 | T | 34.4 | Very low | 52.9 | Low | 102 Ų | 102 | 80.7 Ų | 80.7 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -137.4 | 139.5 | -176.9 | 48.1 | 0 | 0 | 0 | 0 | 110.3 | R916 | R916-T918 PolarHBondContact O-N 3.21Å; R916-T918 VanDerWaalsContact O-N 3.12Å |
| 919 | D | 32.1 | Very low | 52.8 | Low | 130 Ų | 130 | 81.9 Ų | 81.9 | 70% | 0.695 | 46% | 0.462 | S | S | * | . | trans | 70.7 | 103.7 | 177.2 | -48.9 | -33 | 0 | 0 | 0 | 117.5 | N921 | D919-N921 PolarHBondContact O-N 2.55Å; D919-N921 VanDerWaalsContact O-N 3.13Å | ||
| 920 | S | 36.4 | Very low | 52 | Low | 116 Ų | 116 | 86.8 Ų | 86.8 | 81% | 0.811 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 0.6 | 179.5 | 50.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 921 | N | 38.1 | Very low | 51.4 | Low | 146 Ų | 146 | 90 Ų | 90 | 78% | 0.781 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 4.1 | -174.3 | -66.9 | 1.2 | 0 | 0 | 0 | 113.3 | D919 | D919-N921 PolarHBondContact O-N 2.55Å; D919-N921 VanDerWaalsContact O-N 3.13Å |
| 922 | V | 42.8 | Very low | 49.9 | Very low | 107 Ų | 107 | 91.9 Ų | 91.9 | 65% | 0.648 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -114.3 | 126.4 | -177.6 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 923 | S | 42.1 | Very low | 48.3 | Very low | 46 Ų | 46 | 90.2 Ų | 90.2 | 32% | 0.322 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 141 | 174.4 | -50.7 | 0 | 0 | 0 | 0 | 111.1 | A925 | S923-A925 PolarHBondContact O-N 3.49Å; S923-A925 VanDerWaalsContact O-N 3.13Å |
| 924 | P | 49.1 | Very low | 46.8 | Very low | 76 Ų | 76 | 90.1 Ų | 90.1 | 49% | 0.494 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 119.6 | -173 | 23.4 | -34 | 0 | 0 | 0 | 111.5 | I926 | P924-I926 PolarHBondContact O-N 2.71Š|
| 925 | A | 56.6 | Low | 46 | Very low | 49 Ų | 49 | 90.3 Ų | 90.3 | 41% | 0.405 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.6 | 120.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S914 S923 | S914-A925 WeakPolarHBondContact CA-O 3.3Å; S914-A925 VanDerWaalsContact CB-O 3.25Å; S914-A925 WeakPolarHBondContact CB-O 3.24Å; S914-A925 PolarHBondContact N-O 3.01Å; S923-A925 PolarHBondContact O-N 3.49Å; S923-A925 VanDerWaalsContact O-N 3.13Å |
| 926 | I | 66.8 | Low | 45.4 | Very low | 30 Ų | 30 | 89.5 Ų | 89.5 | 15% | 0.154 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.4 | 177.6 | -61.4 | 172.6 | 0 | 0 | 0 | 108.8 | L873 L877 L891 V911 P924 | L873-I926 HydrophobicContact CD1-CD1 4.29Å; L873-I926 HydrophobicContact CD1-CG2 4.48Å; L873-I926 HydrophobicContact CD2-CD1 4.35Å; L877-I926 HydrophobicContact CD1-CD1 3.99Å; L877-I926 HydrophobicContact CD1-CG1 4.36Å; L891-I926 HydrophobicContact CD2-CB 3.69Å; L891-I926 HydrophobicContact CD2-CD1 4.1Å; L891-I926 HydrophobicContact CD2-CG1 4.43Å; L891-I926 HydrophobicContact CD2-CG2 3.95Å; V911-I926 HydrophobicContact CG1-CG2 3.37Å; P924-I926 PolarHBondContact O-N 2.71Å |
| 927 | S | 67.8 | Low | 45.2 | Very low | 31 Ų | 31 | 86.6 Ų | 86.6 | 22% | 0.217 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -110 | 137.4 | 177.6 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | V911 E912 H929 | V911-S927 WeakPolarHBondContact CA-O 3.24Å; E912-S927 PolarHBondContact N-O 2.98Å; E912-S927 PolarHBondContact O-N 2.99Å; E912-S927 PolarHBondContact O-OG 3.4Å; S927-H929 PolarHBondContact OG-CE1 3.01Å |
| 928 | I | 71.3 | Confident | 45.3 | Very low | 32 Ų | 32 | 89.9 Ų | 89.9 | 16% | 0.164 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.2 | -175.4 | -57.9 | 172.4 | 0 | 0 | 0 | 108.4 | L899 F909 G910 V911 | L899-I928 HydrophobicContact CB-CD1 3.74Å; L899-I928 HydrophobicContact CD1-CD1 4.22Å; L899-I928 HydrophobicContact CG-CD1 4.38Å; F909-I928 HydrophobicContact CD2-CG2 3.95Å; G910-I928 WeakPolarHBondContact O-CA 3.45Å; V911-I928 HydrophobicContact CG1-CG1 4.33Å; V911-I928 HydrophobicContact CG2-CG1 4.41Å |
| 929 | H | 64.8 | Low | 45.4 | Very low | 103 Ų | 103 | 92 Ų | 92 | 48% | 0.477 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.3 | -174.2 | -59.8 | 99.5 | 0 | 0 | 0 | 111.2 | F909 G910 S927 I931 | F909-H929 CarbonylContact C-O 3.58Å; F909-H929 WeakPolarHBondContact CA-O 3.31Å; G910-H929 PolarHBondContact N-O 3.02Å; G910-H929 PolarHBondContact O-N 2.89Å; S927-H929 PolarHBondContact OG-CE1 3.01Å; H929-I931 PolarHBondContact O-N 3.06Å |
| 930 | E | 54.6 | Low | 45.7 | Very low | 116 Ų | 116 | 93.4 Ų | 93.4 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.9 | 123.9 | 173.4 | -170.9 | 170.9 | -163.3 | 0 | 0 | 110 | K907 | K907-E930 VanDerWaalsContact CD-OE1 3.31Å; K907-E930 WeakPolarHBondContact CD-OE1 3.29Å; K907-E930 WeakPolarHBondContact CE-OE1 3.2Å; K907-E930 IonicContact NZ-OE1 3.35Å; K907-E930 PolarHBondContact NZ-OE1 3.03Å |
| 931 | I | 51.4 | Low | 46.2 | Very low | 85 Ų | 85 | 94.8 Ų | 94.8 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -80.7 | 128.7 | 171.8 | -64.4 | 170.7 | 0 | 0 | 0 | 107.3 | H929 | H929-I931 PolarHBondContact O-N 3.06Š|
| 932 | G | 38.6 | Very low | 46.5 | Very low | 56 Ų | 56 | 91.5 Ų | 91.5 | 58% | 0.577 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 149.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V934 | G932-V934 PolarHBondContact O-N 3.48Š|
| 933 | A | 34.3 | Very low | 46.6 | Very low | 94 Ų | 94 | 87.7 Ų | 87.7 | 78% | 0.777 | 53% | 0.528 | S | S | * | . | trans | -61.1 | 90.4 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G935 | A933-G935 PolarHBondContact O-N 3.13Š| ||
| 934 | V | 33.1 | Very low | 46.9 | Very low | 115 Ų | 115 | 87.7 Ų | 87.7 | 70% | 0.697 | 52% | 0.524 | S | S | * | . | trans | -92.5 | 82.5 | 168.8 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | G932 | G932-V934 PolarHBondContact O-N 3.48Š| ||
| 935 | G | 36 | Very low | 46.8 | Very low | 55 Ų | 55 | 91.3 Ų | 91.3 | 57% | 0.567 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 92.4 | 126.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | A933 T937 | A933-G935 PolarHBondContact O-N 3.13Å; G935-T937 PolarHBondContact O-N 2.88Å |
| 936 | A | 32.1 | Very low | 46.4 | Very low | 106 Ų | 106 | 94.2 Ų | 94.2 | 88% | 0.876 | 54% | 0.541 | S | S | * | . | trans | 60 | 33.4 | 156 | 0 | 0 | 0 | 0 | 0 | 119.7 | K938 | A936-K938 VanDerWaalsContact C-N 3.3Å; A936-K938 PolarHBondContact O-N 2.8Å | ||
| 937 | T | 34.9 | Very low | 45.7 | Very low | 95 Ų | 95 | 94.9 Ų | 94.9 | 58% | 0.583 | 55% | 0.545 | S | S | * | . | trans | -89.3 | 52.2 | 164.8 | 47.3 | 0 | 0 | 0 | 0 | 113.6 | G935 | G935-T937 PolarHBondContact O-N 2.88Š| ||
| 938 | K | 34 | Very low | 44.8 | Very low | 197 Ų | 197 | 97.6 Ų | 97.6 | 86% | 0.857 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -136.4 | 133.6 | 156.4 | -87.5 | -166.8 | 175.6 | -178 | 0 | 110.8 | A936 E940 | A936-K938 VanDerWaalsContact C-N 3.3Å; A936-K938 PolarHBondContact O-N 2.8Å; K938-E940 PolarHBondContact O-N 3.28Å; K938-E940 VanDerWaalsContact O-N 3.09Å |
| 939 | T | 37.3 | Very low | 43.9 | Very low | 147 Ų | 147 | 98.5 Ų | 98.5 | 90% | 0.902 | 56% | 0.562 | S | S | * | * | trans | -76.6 | 87.8 | -173.9 | 47.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 940 | E | 37.5 | Very low | 43.3 | Very low | 159 Ų | 159 | 97.8 Ų | 97.8 | 74% | 0.743 | 56% | 0.559 | S | S | * | * | trans | -128 | 118.1 | 157.6 | -68.6 | -164.8 | 154.7 | 0 | 0 | 110.8 | K938 T942 | K938-E940 PolarHBondContact O-N 3.28Å; K938-E940 VanDerWaalsContact O-N 3.09Å; E940-T942 HydrophobicContact CB-CG2 4.03Å; E940-T942 PolarHBondContact O-N 3.43Å | ||
| 941 | R | 47.4 | Very low | 43.1 | Very low | 146 Ų | 146 | 96.3 Ų | 96.3 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | trans | -78.6 | 54.1 | 173.9 | -67.9 | 179.7 | 170 | 112.8 | -3.6 | 110.2 | G943 I944 V1026 P1027 | R941-G943 VanDerWaalsContact C-N 3.26Å; R941-G943 PolarHBondContact O-N 3.21Å; R941-I944 PolarHBondContact O-N 3.47Å; R941-V1026 PolarHBondContact NH2-O 3.3Å; R941-P1027 VanDerWaalsContact CZ-CA 3.49Å | ||
| 942 | T | 43.6 | Very low | 42.9 | Very low | 76 Ų | 76 | 98.3 Ų | 98.3 | 47% | 0.466 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.3 | -34.4 | -174.3 | 35.2 | 0 | 0 | 0 | 0 | 113 | E940 I944 M945 Q946 | E940-T942 HydrophobicContact CB-CG2 4.03Å; E940-T942 PolarHBondContact O-N 3.43Å; T942-I944 VanDerWaalsContact C-N 3.29Å; T942-I944 PolarHBondContact O-N 3.21Å; T942-I944 VanDerWaalsContact O-N 3.16Å; T942-M945 PolarHBondContact O-N 3.16Å; T942-M945 VanDerWaalsContact O-N 3.12Å; T942-Q946 VanDerWaalsContact O-CB 3.28Å; T942-Q946 WeakPolarHBondContact O-CB 3.35Å; T942-Q946 PolarHBondContact O-N 3.04Å |
| 943 | G | 46.2 | Very low | 43.4 | Very low | 27 Ų | 27 | 101.4 Ų | 101.4 | 28% | 0.278 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -53.2 | -37.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | R941 L947 | R941-G943 VanDerWaalsContact C-N 3.26Å; R941-G943 PolarHBondContact O-N 3.21Å; G943-L947 VanDerWaalsContact O-CB 3.3Å; G943-L947 WeakPolarHBondContact O-CB 3.37Å; G943-L947 PolarHBondContact O-N 3.26Å |
| 944 | I | 47.7 | Very low | 44 | Very low | 47 Ų | 47 | 100.8 Ų | 100.8 | 24% | 0.241 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -80.6 | -36.9 | 179.3 | -63.1 | 175 | 0 | 0 | 0 | 111.6 | R941 T942 Q946 K948 L1091 M1159 | R941-I944 PolarHBondContact O-N 3.47Å; T942-I944 VanDerWaalsContact C-N 3.29Å; T942-I944 PolarHBondContact O-N 3.21Å; T942-I944 VanDerWaalsContact O-N 3.16Å; I944-Q946 VanDerWaalsContact C-N 3.32Å; I944-K948 VanDerWaalsContact O-CB 3.22Å; I944-K948 WeakPolarHBondContact O-CB 3.2Å; I944-K948 PolarHBondContact O-N 2.67Å; I944-L1091 HydrophobicContact CD1-CD1 4.43Å; I944-L1091 HydrophobicContact CD1-CD2 3.45Å; I944-L1091 VanDerWaalsContact CD1-CD2 3.45Å; I944-L1091 HydrophobicContact CD1-CG 3.79Å; I944-M1159 HydrophobicContact CD1-CE 3.86Å; I944-M1159 HydrophobicContact CG1-CE 3.98Å |
| 945 | M | 47.5 | Very low | 44.4 | Very low | 152 Ų | 152 | 100.9 Ų | 100.9 | 75% | 0.749 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 173.7 | -72 | -171 | 174.7 | 0 | 0 | 111.1 | T942 K948 S949 | T942-M945 PolarHBondContact O-N 3.16Å; T942-M945 VanDerWaalsContact O-N 3.12Å; M945-K948 PolarHBondContact O-N 3.31Å; M945-S949 WeakPolarHBondContact O-CB 3.49Å; M945-S949 PolarHBondContact O-N 3.41Å |
| 946 | Q | 48.6 | Very low | 44.5 | Very low | 109 Ų | 109 | 106.3 Ų | 106.3 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.7 | -52.4 | 174.4 | -175.4 | 170.4 | -7.9 | 0 | 0 | 110.6 | T942 I944 K948 S949 E950 | T942-Q946 VanDerWaalsContact O-CB 3.28Å; T942-Q946 WeakPolarHBondContact O-CB 3.35Å; T942-Q946 PolarHBondContact O-N 3.04Å; I944-Q946 VanDerWaalsContact C-N 3.32Å; Q946-K948 VanDerWaalsContact C-N 3.35Å; Q946-K948 PolarHBondContact O-N 2.93Å; Q946-S949 CarbonylContact O-C 3.59Å; Q946-S949 WeakPolarHBondContact O-CA 3.38Å; Q946-S949 WeakPolarHBondContact O-CB 3.36Å; Q946-S949 PolarHBondContact O-N 3.33Å; Q946-S949 PolarHBondContact O-OG 3.48Å; Q946-E950 HydrophobicContact CG-CG 4.48Å; Q946-E950 VanDerWaalsContact CG-OE1 3.28Å; Q946-E950 WeakPolarHBondContact CG-OE1 3.47Å; Q946-E950 PolarHBondContact NE2-OE1 3.3Å; Q946-E950 WeakPolarHBondContact O-CG 3.41Å; Q946-E950 PolarHBondContact O-N 2.97Å |
| 947 | L | 50.2 | Low | 45 | Very low | 45 Ų | 45 | 110.6 Ų | 110.6 | 24% | 0.236 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -58 | -43.1 | 175.8 | -168.8 | 73.1 | 0 | 0 | 0 | 112.4 | G943 S949 E950 I951 M1095 | G943-L947 VanDerWaalsContact O-CB 3.3Å; G943-L947 WeakPolarHBondContact O-CB 3.37Å; G943-L947 PolarHBondContact O-N 3.26Å; L947-S949 VanDerWaalsContact C-N 3.3Å; L947-S949 PolarHBondContact O-N 2.87Å; L947-E950 PolarHBondContact O-N 3.25Å; L947-I951 HydrophobicContact CG-CD1 4.09Å; L947-I951 WeakPolarHBondContact O-CB 3.45Å; L947-I951 VanDerWaalsContact O-CG1 3.25Å; L947-I951 WeakPolarHBondContact O-CG1 3.25Å; L947-I951 PolarHBondContact O-N 2.94Å; L947-M1095 HydrophobicContact CD2-CE 4.21Å; L947-M1095 HydrophobicContact CD2-SD 4.26Å |
| 948 | K | 49.7 | Very low | 45.1 | Very low | 88 Ų | 88 | 114 Ų | 114 | 38% | 0.383 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.2 | -30.7 | 175.8 | -168.8 | 167.1 | -172 | 167.3 | 0 | 112.3 | I944 M945 Q946 K952 D1098 | I944-K948 VanDerWaalsContact O-CB 3.22Å; I944-K948 WeakPolarHBondContact O-CB 3.2Å; I944-K948 PolarHBondContact O-N 2.67Å; M945-K948 PolarHBondContact O-N 3.31Å; Q946-K948 VanDerWaalsContact C-N 3.35Å; Q946-K948 PolarHBondContact O-N 2.93Å; K948-K952 WeakPolarHBondContact O-CG 3.45Å; K948-K952 PolarHBondContact O-N 3.31Å; K948-D1098 IonicContact NZ-OD2 2.74Å; K948-D1098 PolarHBondContact NZ-OD2 3.37Å |
| 949 | S | 52.8 | Low | 45.3 | Very low | 51 Ų | 51 | 111.8 Ų | 111.8 | 36% | 0.357 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -74.6 | -39.2 | 173.3 | 81.5 | 0 | 0 | 0 | 0 | 112.4 | M945 Q946 L947 K952 Q953 | M945-S949 WeakPolarHBondContact O-CB 3.49Å; M945-S949 PolarHBondContact O-N 3.41Å; Q946-S949 CarbonylContact O-C 3.59Å; Q946-S949 WeakPolarHBondContact O-CA 3.38Å; Q946-S949 WeakPolarHBondContact O-CB 3.36Å; Q946-S949 PolarHBondContact O-N 3.33Å; Q946-S949 PolarHBondContact O-OG 3.48Å; L947-S949 VanDerWaalsContact C-N 3.3Å; L947-S949 PolarHBondContact O-N 2.87Å; S949-K952 PolarHBondContact O-N 2.91Å; S949-Q953 WeakPolarHBondContact O-CG 3.41Å; S949-Q953 PolarHBondContact O-N 3.42Å |
| 950 | E | 50.9 | Low | 45.3 | Very low | 87 Ų | 87 | 109 Ų | 109 | 41% | 0.407 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 177.4 | -73.2 | 171.3 | -173 | 0 | 0 | 110.4 | Q946 L947 Q953 V954 | Q946-E950 HydrophobicContact CG-CG 4.48Å; Q946-E950 VanDerWaalsContact CG-OE1 3.28Å; Q946-E950 WeakPolarHBondContact CG-OE1 3.47Å; Q946-E950 PolarHBondContact NE2-OE1 3.3Å; Q946-E950 WeakPolarHBondContact O-CG 3.41Å; Q946-E950 PolarHBondContact O-N 2.97Å; L947-E950 PolarHBondContact O-N 3.25Å; E950-Q953 PolarHBondContact O-N 3.34Å; E950-V954 WeakPolarHBondContact O-CG2 3.48Å; E950-V954 PolarHBondContact O-N 3.02Å; E950-V954 VanDerWaalsContact O-N 3.11Å |
| 951 | I | 51.5 | Low | 45.1 | Very low | 85 Ų | 85 | 107.3 Ų | 107.3 | 44% | 0.436 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.3 | -48.3 | 173 | -68.7 | 165.1 | 0 | 0 | 0 | 111 | L947 Q953 V954 E955 M1095 | L947-I951 HydrophobicContact CG-CD1 4.09Å; L947-I951 WeakPolarHBondContact O-CB 3.45Å; L947-I951 VanDerWaalsContact O-CG1 3.25Å; L947-I951 WeakPolarHBondContact O-CG1 3.25Å; L947-I951 PolarHBondContact O-N 2.94Å; I951-Q953 VanDerWaalsContact C-N 3.3Å; I951-Q953 PolarHBondContact O-N 3.48Å; I951-V954 PolarHBondContact O-N 3.21Å; I951-E955 PolarHBondContact O-N 3.49Å; I951-E955 VanDerWaalsContact O-N 3.17Å; I951-M1095 HydrophobicContact CD1-CE 3.94Å |
| 952 | K | 46.8 | Very low | 44.3 | Very low | 127 Ų | 127 | 105.8 Ų | 105.8 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.2 | -32.9 | 176.6 | -79.5 | -171.8 | 171.3 | -163.3 | 0 | 113.6 | K948 S949 V954 F956 | K948-K952 WeakPolarHBondContact O-CG 3.45Å; K948-K952 PolarHBondContact O-N 3.31Å; S949-K952 PolarHBondContact O-N 2.91Å; K952-V954 VanDerWaalsContact C-N 3.33Å; K952-F956 PolarHBondContact O-N 3.28Å |
| 953 | Q | 48.7 | Very low | 44 | Very low | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70 | -28.5 | 174.4 | -75.6 | -178.3 | 18.4 | 0 | 0 | 112.7 | S949 E950 I951 R957 | S949-Q953 WeakPolarHBondContact O-CG 3.41Å; S949-Q953 PolarHBondContact O-N 3.42Å; E950-Q953 PolarHBondContact O-N 3.34Å; I951-Q953 VanDerWaalsContact C-N 3.3Å; I951-Q953 PolarHBondContact O-N 3.48Å; Q953-R957 PolarHBondContact O-N 3.45Å |
| 954 | V | 47.4 | Very low | 43.3 | Very low | 81 Ų | 81 | 115.7 Ų | 115.7 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.4 | -40.8 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | E950 I951 K952 F956 R957 R958 | E950-V954 WeakPolarHBondContact O-CG2 3.48Å; E950-V954 PolarHBondContact O-N 3.02Å; E950-V954 VanDerWaalsContact O-N 3.11Å; I951-V954 PolarHBondContact O-N 3.21Å; K952-V954 VanDerWaalsContact C-N 3.33Å; V954-F956 PolarHBondContact O-N 3.19Å; V954-R957 PolarHBondContact O-N 3.37Å; V954-R958 PolarHBondContact O-N 3.04Å; V954-R958 VanDerWaalsContact O-N 3.12Å |
| 955 | E | 40.8 | Very low | 42.5 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 55% | 0.547 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -57.9 | -47.3 | 172.1 | -80 | -176.9 | 124 | 0 | 0 | 112 | I951 R957 R958 L959 | I951-E955 PolarHBondContact O-N 3.49Å; I951-E955 VanDerWaalsContact O-N 3.17Å; E955-R957 PolarHBondContact O-N 3.09Å; E955-R958 PolarHBondContact O-N 3.44Å; E955-L959 PolarHBondContact O-N 2.96Å |
| 956 | F | 38.3 | Very low | 41.5 | Very low | 169 Ų | 169 | 119.1 Ų | 119.1 | 74% | 0.741 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.9 | -27.8 | 179.1 | -116.6 | -84.5 | 0 | 0 | 0 | 113.5 | K952 V954 | K952-F956 PolarHBondContact O-N 3.28Å; V954-F956 PolarHBondContact O-N 3.19Å |
| 957 | R | 42.4 | Very low | 40.6 | Very low | 196 Ų | 196 | 119.8 Ų | 119.8 | 74% | 0.74 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -82.3 | -26.3 | 174.5 | -75 | -177.6 | 178.7 | 177 | 2.8 | 113.9 | Q953 V954 E955 S960 | Q953-R957 PolarHBondContact O-N 3.45Å; V954-R957 PolarHBondContact O-N 3.37Å; E955-R957 PolarHBondContact O-N 3.09Å; R957-S960 PolarHBondContact O-OG 3.02Å |
| 958 | R | 38.7 | Very low | 39.4 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.8 | -28.1 | 175.3 | -75.7 | -171.9 | -179.2 | -179.4 | 4 | 112.2 | V954 E955 S960 Q1182 | V954-R958 PolarHBondContact O-N 3.04Å; V954-R958 VanDerWaalsContact O-N 3.12Å; E955-R958 PolarHBondContact O-N 3.44Å; R958-S960 PolarHBondContact O-N 2.72Å; R958-Q1182 PolarHBondContact NH1-OXT 2.77Å; R958-Q1182 PolarHBondContact NH2-O 3.06Å; R958-Q1182 VanDerWaalsContact NH2-O 3.13Å; R958-Q1182 PolarHBondContact NH2-OXT 2.81Å |
| 959 | L | 37.5 | Very low | 38.2 | Very low | 151 Ų | 151 | 123.5 Ų | 123.5 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -80.3 | -6.6 | -178 | -72 | 167.4 | 0 | 0 | 0 | 115.2 | E955 | E955-L959 PolarHBondContact O-N 2.96Š|
| 960 | S | 36.4 | Very low | 36.8 | Very low | 89 Ų | 89 | 125 Ų | 125 | 62% | 0.622 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -107.3 | 34.9 | -170.6 | 65.5 | 0 | 0 | 0 | 0 | 115 | R957 R958 | R957-S960 PolarHBondContact O-OG 3.02Å; R958-S960 PolarHBondContact O-N 2.72Å |
| 961 | V | 34.1 | Very low | 35.6 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | trans | -132.7 | 107.1 | 175.5 | -174.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 962 | S | 30.4 | Very low | 34.8 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -98.5 | 147.6 | 169.8 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 963 | P | 38.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | trans | -107.8 | 116.1 | -173.1 | 36.2 | -28.1 | 0 | 0 | 0 | 114.4 | ||||
| 964 | E | 30.2 | Very low | 32.9 | Very low | 188 Ų | 188 | 129 Ų | 129 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | trans | -138.2 | 98.9 | 162.3 | -82.8 | -166.6 | 163.8 | 0 | 0 | 113.7 | ||||
| 965 | S | 30.1 | Very low | 31.9 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | 51.1 | 141.7 | 128.3 | 88.7 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 966 | Q | 28.1 | Very low | 31.1 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 83.9 | 94.5 | 149 | -68.5 | -178.4 | 35.6 | 0 | 0 | 122.1 | ||||
| 967 | T | 28.4 | Very low | 30.5 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | 30.6 | 117.9 | 121.7 | 56.7 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 968 | S | 26.5 | Very low | 29.7 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | 154.3 | 143.4 | 97.9 | 58.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 969 | G | 24.3 | Very low | 29.4 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | 95.1 | 121.4 | 152 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 970 | G | 23.2 | Very low | 28.9 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | 127.2 | 100.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 971 | H | 24.3 | Very low | 28.4 | Very low | 191 Ų | 191 | 130 Ų | 130 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | trans | -68.5 | 170.6 | 159.9 | -77.6 | -63.2 | 0 | 0 | 0 | 111.5 | ||||
| 972 | P | 36.4 | Very low | 28.1 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | cis | -147.4 | 176.2 | 24.2 | 43.3 | -22.4 | 0 | 0 | 0 | 119.6 | ||||
| 973 | S | 23.3 | Very low | 27.8 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | 43.8 | 110.9 | 142.2 | 63.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 974 | S | 30.8 | Very low | 27.2 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | 24.4 | 120.7 | 126.3 | 59.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 975 | I | 26.1 | Very low | 27 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -138.6 | 153.6 | 150.1 | -64.4 | -173 | 0 | 0 | 0 | 109.7 | ||||
| 976 | D | 24 | Very low | 26.7 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -73.4 | 170 | -161.6 | -62.7 | -80.5 | 0 | 0 | 0 | 119.8 | ||||
| 977 | L | 27.4 | Very low | 26.5 | Very low | 154 Ų | 154 | 129 Ų | 129 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -65.6 | 126.5 | 164.5 | -165.1 | 86 | 0 | 0 | 0 | 112 | ||||
| 978 | M | 25.7 | Very low | 26.2 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 169 | 129.2 | 136.8 | -91.6 | -80 | 155.5 | 0 | 0 | 113.4 | ||||
| 979 | S | 32.6 | Very low | 26.2 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | 4.8 | 152.3 | 157.3 | -47.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 980 | P | 26.8 | Very low | 26.3 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | -135.3 | 174.1 | 101.6 | 38.9 | -29.2 | 0 | 0 | 0 | 116 | |||||
| 981 | T | 24.7 | Very low | 26.4 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -94.5 | 159 | -156 | -44.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 982 | F | 27.2 | Very low | 26.3 | Very low | 196 Ų | 196 | 129.9 Ų | 129.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -46 | 145.8 | 166.1 | -71.8 | -99.9 | 0 | 0 | 0 | 115.6 | ||||
| 983 | L | 24.9 | Very low | 25.7 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | -140.9 | 138.5 | 148.7 | -91.4 | 171 | 0 | 0 | 0 | 109.9 | ||||
| 984 | S | 25.8 | Very low | 25.7 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -81.9 | 172.5 | -179.8 | -44.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 985 | P | 26.1 | Very low | 25.3 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -126.1 | 151.8 | 141.4 | 16.9 | 2.7 | 0 | 0 | 0 | 114.1 | ||||
| 986 | A | 23.5 | Very low | 25.2 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | trans | -122.8 | 174.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 987 | A | 25.1 | Very low | 25.4 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | cis | -153.7 | -172.1 | 11 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 988 | C | 21.9 | Very low | 25.4 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 90% | 0.899 | 81% | 0.809 | S | S | * | * | trans | -127.6 | 151.6 | 152.5 | -84.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 989 | I | 26 | Very low | 25.4 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | -95.8 | 155.6 | -151.2 | -65.2 | 167.9 | 0 | 0 | 0 | 113 | ||||
| 990 | S | 26.4 | Very low | 25 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -110.7 | 152.9 | -171.1 | 54.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 991 | A | 24.3 | Very low | 24.9 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -177.6 | 148.4 | 147.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 992 | S | 23.2 | Very low | 25 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | cis | -151.6 | 133.8 | 13.8 | 53.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 993 | S | 24.3 | Very low | 24.9 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | 36.7 | 125 | 143.8 | 62.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 994 | G | 22.2 | Very low | 25 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 172.7 | 103.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 995 | S | 23.5 | Very low | 25 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -91.2 | 147.1 | -173.7 | -50.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 996 | F | 23.8 | Very low | 25.4 | Very low | 209 Ų | 209 | 129.9 Ų | 129.9 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -177.8 | 168.9 | 137.2 | -91.3 | -50.5 | 0 | 0 | 0 | 110.4 | ||||
| 997 | P | 28.1 | Very low | 26.1 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -104.4 | 150.9 | -136.1 | 39 | -34.8 | 0 | 0 | 0 | 117.6 | ||||
| 998 | T | 26.5 | Very low | 27.1 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | -4.3 | 117.5 | 152.2 | -37.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 999 | V | 26 | Very low | 28.7 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | -132.1 | 125.1 | 131 | 176.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1000 | C | 25.2 | Very low | 30.6 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | -94 | 123.8 | 179.9 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1001 | E | 24.3 | Very low | 32.9 | Very low | 176 Ų | 176 | 126.5 Ų | 126.5 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -117.4 | 142.8 | 146.1 | -75.9 | -164.7 | 150.6 | 0 | 0 | 109 | Q1003 | E1001-Q1003 PolarHBondContact O-N 3.24Š| ||
| 1002 | P | 26.4 | Very low | 35.6 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 84% | 0.844 | 72% | 0.724 | S | S | * | * | trans | -81 | 86.5 | -173.3 | 32.8 | -34.8 | 0 | 0 | 0 | 111.3 | T1004 | P1002-T1004 PolarHBondContact O-N 3Š| ||
| 1003 | Q | 25 | Very low | 38.5 | Very low | 188 Ų | 188 | 124.5 Ų | 124.5 | 88% | 0.879 | 71% | 0.707 | S | S | * | * | trans | -70.2 | 113.3 | 161.9 | -72.1 | -155.8 | -0.9 | 0 | 0 | 109.8 | E1001 S1005 | E1001-Q1003 PolarHBondContact O-N 3.24Å; Q1003-S1005 PolarHBondContact O-N 3.47Å; Q1003-S1005 VanDerWaalsContact O-N 3.1Å | ||
| 1004 | T | 27.1 | Very low | 41.5 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | trans | -64.3 | 105.6 | 161.9 | 37.4 | 0 | 0 | 0 | 0 | 108.4 | P1002 K1006 | P1002-T1004 PolarHBondContact O-N 3Å; T1004-K1006 VanDerWaalsContact C-N 3.35Å; T1004-K1006 PolarHBondContact O-N 3.29Å | ||
| 1005 | S | 26.9 | Very low | 44.4 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 81% | 0.811 | 65% | 0.646 | S | S | * | * | trans | -65 | 92.9 | 175 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | Q1003 D1007 | Q1003-S1005 PolarHBondContact O-N 3.47Å; Q1003-S1005 VanDerWaalsContact O-N 3.1Å; S1005-D1007 PolarHBondContact O-N 3.43Å | ||
| 1006 | K | 33.6 | Very low | 47.3 | Very low | 173 Ų | 173 | 118.1 Ų | 118.1 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | trans | -57.9 | 121.6 | 164.1 | -75.3 | -172.9 | 173.4 | -174 | 0 | 107.5 | T1004 S1008 | T1004-K1006 VanDerWaalsContact C-N 3.35Å; T1004-K1006 PolarHBondContact O-N 3.29Å; K1006-S1008 PolarHBondContact O-N 2.93Å | ||
| 1007 | D | 37.3 | Very low | 50.4 | Low | 92 Ų | 92 | 108.4 Ų | 108.4 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | trans | -57.2 | 124.7 | 174.7 | -166 | -26.1 | 0 | 0 | 0 | 107.9 | S1005 R1009 Q1010 | S1005-D1007 PolarHBondContact O-N 3.43Å; D1007-R1009 VanDerWaalsContact CG-NH2 3.32Å; D1007-R1009 PolarHBondContact O-N 3.14Å; D1007-R1009 IonicContact OD1-CZ 3.99Å; D1007-R1009 IonicContact OD1-NE 3.67Å; D1007-R1009 PolarHBondContact OD1-NE 3.05Å; D1007-R1009 IonicContact OD1-NH2 2.86Å; D1007-R1009 PolarHBondContact OD1-NH2 2.9Å; D1007-R1009 IonicContact OD2-CZ 2.66Å; D1007-R1009 IonicContact OD2-NE 3.03Å; D1007-R1009 IonicContact OD2-NH2 3.85Å; D1007-R1009 PolarHBondContact OD2-NH2 2.93Å; D1007-Q1010 PolarHBondContact O-N 3.47Å | ||
| 1008 | S | 46.5 | Very low | 53.1 | Low | 120 Ų | 120 | 106.6 Ų | 106.6 | 84% | 0.839 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 13.1 | -165.9 | 73.6 | 0 | 0 | 0 | 0 | 114.4 | K1006 | K1006-S1008 PolarHBondContact O-N 2.93Š|
| 1009 | R | 55.3 | Low | 55.9 | Low | 160 Ų | 160 | 101 Ų | 101 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | -6.4 | -175.9 | -66.3 | 171.6 | -72.6 | -178.2 | 2.7 | 112.8 | D1007 G1011 Q1012 | D1007-R1009 VanDerWaalsContact CG-NH2 3.32Å; D1007-R1009 PolarHBondContact O-N 3.14Å; D1007-R1009 IonicContact OD1-CZ 3.99Å; D1007-R1009 IonicContact OD1-NE 3.67Å; D1007-R1009 PolarHBondContact OD1-NE 3.05Å; D1007-R1009 IonicContact OD1-NH2 2.86Å; D1007-R1009 PolarHBondContact OD1-NH2 2.9Å; D1007-R1009 IonicContact OD2-CZ 2.66Å; D1007-R1009 IonicContact OD2-NE 3.03Å; D1007-R1009 IonicContact OD2-NH2 3.85Å; D1007-R1009 PolarHBondContact OD2-NH2 2.93Å; R1009-G1011 PolarHBondContact O-N 3.28Å; R1009-Q1012 WeakPolarHBondContact O-CB 3.37Å; R1009-Q1012 PolarHBondContact O-N 3.25Å |
| 1010 | Q | 65.7 | Low | 58.8 | Low | 135 Ų | 135 | 95.1 Ų | 95.1 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 127.9 | 175.7 | -169.4 | 175.1 | 26.6 | 0 | 0 | 110.6 | D1007 | D1007-Q1010 PolarHBondContact O-N 3.47Š|
| 1011 | G | 75.7 | Confident | 61.8 | Low | 26 Ų | 26 | 89.9 Ų | 89.9 | 27% | 0.268 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -7.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1009 W1013 R1015 D1149 | R1009-G1011 PolarHBondContact O-N 3.28Å; G1011-W1013 PolarHBondContact O-N 3.43Å; G1011-R1015 VanDerWaalsContact O-CB 3.24Å; G1011-R1015 WeakPolarHBondContact O-CB 3.46Å; G1011-R1015 PolarHBondContact O-N 3.42Å; G1011-D1149 WeakPolarHBondContact CA-OD1 3.28Å; G1011-D1149 VanDerWaalsContact N-CG 3.28Å; G1011-D1149 PolarHBondContact N-OD1 3Å; G1011-D1149 PolarHBondContact N-OD2 3.38Å |
| 1012 | Q | 80.5 | Confident | 64.6 | Low | 67 Ų | 67 | 81.6 Ų | 81.6 | 31% | 0.313 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | -172.7 | -167.2 | -178.9 | 38.5 | 0 | 0 | 112.8 | E908 R1009 R1016 D1149 | E908-Q1012 PolarHBondContact OE1-NE2 2.91Å; R1009-Q1012 WeakPolarHBondContact O-CB 3.37Å; R1009-Q1012 PolarHBondContact O-N 3.25Å; Q1012-R1016 WeakPolarHBondContact O-CB 3.33Å; Q1012-R1016 PolarHBondContact O-N 3.05Å; Q1012-D1149 PolarHBondContact N-OD1 3.2Å; Q1012-D1149 VanDerWaalsContact N-OD1 3.13Å |
| 1013 | W | 85.3 | Confident | 67.4 | Low | 96 Ų | 96 | 75.7 Ų | 75.7 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -81.1 | -33.5 | -179.2 | -68.6 | 106.3 | 0 | 0 | 0 | 111.9 | G1011 R1015 R1016 R1017 Y1148 D1149 A1151 P1152 | G1011-W1013 PolarHBondContact O-N 3.43Å; W1013-R1015 VanDerWaalsContact C-N 3.34Å; W1013-R1016 HydrophobicContact CE3-CB 4.45Å; W1013-R1016 PolarHBondContact O-N 3.17Å; W1013-R1017 WeakPolarHBondContact O-CG 3.44Å; W1013-R1017 PolarHBondContact O-N 3.37Å; W1013-Y1148 CarbonylContact C-O 3.55Å; W1013-D1149 WeakPolarHBondContact CB-O 3.25Å; W1013-D1149 PolarHBondContact N-OD1 3.44Å; W1013-A1151 HydrophobicContact CD2-CB 4.36Å; W1013-A1151 HydrophobicContact CZ2-CB 4.02Å; W1013-P1152 VanDerWaalsContact CE3-CD 3.44Å; W1013-P1152 HydrophobicContact CE3-CG 4.07Å; W1013-P1152 HydrophobicContact CH2-CG 4.39Å; W1013-P1152 HydrophobicContact CZ3-CG 3.83Å |
| 1014 | Q | 85.7 | Confident | 70.2 | Confident | 53 Ų | 53 | 67.2 Ų | 67.2 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 172.2 | -176.1 | 175.7 | 20 | 0 | 0 | 110.4 | R1016 R1017 R1018 E1081 Y1148 D1149 | Q1014-R1016 PolarHBondContact O-N 3.3Å; Q1014-R1017 PolarHBondContact O-N 3.46Å; Q1014-R1018 PolarHBondContact O-N 3.15Å; Q1014-E1081 HydrophobicContact CG-CG 4.22Å; Q1014-Y1148 VanDerWaalsContact CA-O 3.3Å; Q1014-Y1148 WeakPolarHBondContact CA-O 3.23Å; Q1014-Y1148 PolarHBondContact N-O 2.69Å; Q1014-D1149 HydrophobicContact CB-CB 4.1Å; Q1014-D1149 PolarHBondContact N-OD1 2.64Å |
| 1015 | R | 84 | Confident | 73 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 16% | 0.158 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.4 | -49.6 | 172.3 | -177.6 | -176.3 | -177.7 | -100.2 | -5.1 | 111.6 | E872 F909 G1011 W1013 R1017 R1018 L1019 | E872-R1015 WeakPolarHBondContact OE1-CG 3.31Å; E872-R1015 IonicContact OE1-NE 2.83Å; E872-R1015 PolarHBondContact OE1-NE 2.97Å; E872-R1015 IonicContact OE2-CZ 3.72Å; E872-R1015 IonicContact OE2-NE 3.39Å; E872-R1015 PolarHBondContact OE2-NE 3.48Å; E872-R1015 IonicContact OE2-NH2 3.11Å; E872-R1015 PolarHBondContact OE2-NH2 2.83Å; F909-R1015 VanDerWaalsContact CE1-NH2 3.28Å; G1011-R1015 VanDerWaalsContact O-CB 3.24Å; G1011-R1015 WeakPolarHBondContact O-CB 3.46Å; G1011-R1015 PolarHBondContact O-N 3.42Å; W1013-R1015 VanDerWaalsContact C-N 3.34Å; R1015-R1017 VanDerWaalsContact C-N 3.33Å; R1015-R1017 PolarHBondContact O-N 3.2Å; R1015-R1018 WeakPolarHBondContact O-CB 3.45Å; R1015-R1018 PolarHBondContact O-N 3.09Å; R1015-R1018 VanDerWaalsContact O-N 3.11Å; R1015-L1019 HydrophobicContact CG-CD1 4.4Å; R1015-L1019 WeakPolarHBondContact O-CG 3.24Å; R1015-L1019 PolarHBondContact O-N 3.41Å |
| 1016 | R | 84.6 | Confident | 75.9 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 32% | 0.317 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 179.7 | -175.3 | 68.6 | -155.6 | -167.2 | 8.6 | 112.1 | Q1012 W1013 Q1014 L1019 D1020 | Q1012-R1016 WeakPolarHBondContact O-CB 3.33Å; Q1012-R1016 PolarHBondContact O-N 3.05Å; W1013-R1016 HydrophobicContact CE3-CB 4.45Å; W1013-R1016 PolarHBondContact O-N 3.17Å; Q1014-R1016 PolarHBondContact O-N 3.3Å; R1016-L1019 PolarHBondContact O-N 3.01Å; R1016-D1020 IonicContact CZ-OD1 3.29Å; R1016-D1020 IonicContact CZ-OD2 2.71Å; R1016-D1020 IonicContact NE-OD1 2.71Å; R1016-D1020 PolarHBondContact NE-OD1 2.95Å; R1016-D1020 IonicContact NE-OD2 3.89Å; R1016-D1020 PolarHBondContact NE-OD2 3.35Å; R1016-D1020 IonicContact NH2-OD1 3.14Å; R1016-D1020 PolarHBondContact NH2-OD1 3.35Å; R1016-D1020 IonicContact NH2-OD2 3.43Å; R1016-D1020 PolarHBondContact NH2-OD2 2.62Å; R1016-D1020 VanDerWaalsContact NH2-OD2 3.15Å; R1016-D1020 WeakPolarHBondContact O-CB 3.25Å; R1016-D1020 PolarHBondContact O-N 3.09Å |
| 1017 | R | 88.6 | Confident | 78.2 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.3 | -35.3 | 175.7 | -72 | -171.9 | 177.5 | 98.1 | 4.7 | 112.8 | W1013 Q1014 R1015 G1021 E1081 Q1084 E1088 Y1148 S1150 T1158 | W1013-R1017 WeakPolarHBondContact O-CG 3.44Å; W1013-R1017 PolarHBondContact O-N 3.37Å; Q1014-R1017 PolarHBondContact O-N 3.46Å; R1015-R1017 VanDerWaalsContact C-N 3.33Å; R1015-R1017 PolarHBondContact O-N 3.2Å; R1017-G1021 WeakPolarHBondContact O-CA 3.41Å; R1017-G1021 PolarHBondContact O-N 3.4Å; R1017-E1081 HydrophobicContact CB-CB 4.27Å; R1017-E1081 HydrophobicContact CB-CG 4.3Å; R1017-Q1084 HydrophobicContact CB-CB 4.13Å; R1017-Q1084 HydrophobicContact CB-CG 4.33Å; R1017-Q1084 HydrophobicContact CG-CB 4.26Å; R1017-Q1084 HydrophobicContact CG-CG 4.08Å; R1017-E1088 IonicContact CZ-OE1 3.74Å; R1017-E1088 IonicContact NE-OE1 2.79Å; R1017-E1088 PolarHBondContact NE-OE1 2.98Å; R1017-E1088 IonicContact NE-OE2 3.46Å; R1017-E1088 IonicContact NH2-OE1 3.21Å; R1017-E1088 PolarHBondContact NH2-OE1 2.79Å; R1017-E1088 IonicContact NH2-OE2 3.97Å; R1017-E1088 PolarHBondContact NH2-OE2 3.12Å; R1017-Y1148 PolarHBondContact NH1-O 2.88Å; R1017-S1150 PolarHBondContact NH1-O 2.84Å; R1017-S1150 PolarHBondContact NH2-O 2.78Å; R1017-S1150 VanDerWaalsContact NH2-O 3.16Å; R1017-T1158 VanDerWaalsContact NH2-CG2 3.29Å; R1017-T1158 PolarHBondContact NH2-OG1 3.03Å |
| 1018 | R | 85.8 | Confident | 80.4 | Confident | 72 Ų | 72 | 51 Ų | 51 | 27% | 0.272 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -48 | 174.3 | -174.6 | 177.8 | -66.3 | 162.1 | 3.5 | 111.1 | Q1014 R1015 A1022 P1080 E1081 | Q1014-R1018 PolarHBondContact O-N 3.15Å; R1015-R1018 WeakPolarHBondContact O-CB 3.45Å; R1015-R1018 PolarHBondContact O-N 3.09Å; R1015-R1018 VanDerWaalsContact O-N 3.11Å; R1018-A1022 WeakPolarHBondContact O-CB 3.3Å; R1018-A1022 PolarHBondContact O-N 3.24Å; R1018-P1080 HydrophobicContact CG-CB 4.34Å; R1018-P1080 WeakPolarHBondContact O-CB 3.45Å; R1018-E1081 HydrophobicContact CB-CG 3.91Å; R1018-E1081 IonicContact CZ-OE1 3.37Å; R1018-E1081 IonicContact NE-OE1 3.57Å; R1018-E1081 PolarHBondContact NE-OE1 2.96Å; R1018-E1081 IonicContact NE-OE2 3.64Å; R1018-E1081 IonicContact NH2-OE1 2.72Å; R1018-E1081 PolarHBondContact NH2-OE1 2.92Å |
| 1019 | L | 85.1 | Confident | 82.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -55.7 | 177.7 | -64.5 | 179.2 | 0 | 0 | 0 | 111.7 | V868 E872 I903 R1015 R1016 G1021 A1022 L1023 | V868-L1019 HydrophobicContact CG1-CD2 3.41Å; V868-L1019 VanDerWaalsContact CG1-CD2 3.41Å; E872-L1019 HydrophobicContact CG-CD2 4.46Å; I903-L1019 HydrophobicContact CD1-CD2 4.33Å; I903-L1019 HydrophobicContact CG2-CD2 4.28Å; R1015-L1019 HydrophobicContact CG-CD1 4.4Å; R1015-L1019 WeakPolarHBondContact O-CG 3.24Å; R1015-L1019 PolarHBondContact O-N 3.41Å; R1016-L1019 PolarHBondContact O-N 3.01Å; L1019-G1021 VanDerWaalsContact C-N 3.32Å; L1019-G1021 PolarHBondContact O-N 2.89Å; L1019-A1022 PolarHBondContact O-N 3.19Å; L1019-L1023 WeakPolarHBondContact O-CB 3.08Å; L1019-L1023 VanDerWaalsContact O-CG 3.26Å; L1019-L1023 WeakPolarHBondContact O-CG 3.28Å; L1019-L1023 PolarHBondContact O-N 3.3Å |
| 1020 | D | 86.8 | Confident | 83.9 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -38.1 | -177.7 | -75.5 | -26.5 | 0 | 0 | 0 | 111.8 | R1016 L1023 N1024 R1025 Q1084 | R1016-D1020 IonicContact CZ-OD1 3.29Å; R1016-D1020 IonicContact CZ-OD2 2.71Å; R1016-D1020 IonicContact NE-OD1 2.71Å; R1016-D1020 PolarHBondContact NE-OD1 2.95Å; R1016-D1020 IonicContact NE-OD2 3.89Å; R1016-D1020 PolarHBondContact NE-OD2 3.35Å; R1016-D1020 IonicContact NH2-OD1 3.14Å; R1016-D1020 PolarHBondContact NH2-OD1 3.35Å; R1016-D1020 IonicContact NH2-OD2 3.43Å; R1016-D1020 PolarHBondContact NH2-OD2 2.62Å; R1016-D1020 VanDerWaalsContact NH2-OD2 3.15Å; R1016-D1020 WeakPolarHBondContact O-CB 3.25Å; R1016-D1020 PolarHBondContact O-N 3.09Å; D1020-L1023 CarbonylContact O-C 3.57Å; D1020-L1023 PolarHBondContact O-N 2.97Å; D1020-N1024 WeakPolarHBondContact O-CA 3.21Å; D1020-N1024 PolarHBondContact O-N 2.91Å; D1020-R1025 HydrophobicContact CB-CB 4.01Å; D1020-R1025 PolarHBondContact O-N 3.48Å; D1020-R1025 WeakPolarHBondContact OD1-CD 3.3Å; D1020-Q1084 HydrophobicContact CB-CG 4.41Å |
| 1021 | G | 87.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.7 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1017 L1019 L1023 N1024 P1080 R1083 | R1017-G1021 WeakPolarHBondContact O-CA 3.41Å; R1017-G1021 PolarHBondContact O-N 3.4Å; L1019-G1021 VanDerWaalsContact C-N 3.32Å; L1019-G1021 PolarHBondContact O-N 2.89Å; G1021-L1023 VanDerWaalsContact C-N 3.31Å; G1021-L1023 PolarHBondContact O-N 3.32Å; G1021-N1024 PolarHBondContact O-N 3.21Å; G1021-N1024 PolarHBondContact O-OD1 3.01Å; G1021-P1080 WeakPolarHBondContact CA-O 3.37Å; G1021-R1083 PolarHBondContact O-NH1 2.97Å |
| 1022 | A | 83.6 | Confident | 85.8 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.2 | -33.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | V868 R1018 L1019 P1080 | V868-A1022 HydrophobicContact CG2-CB 3.68Å; R1018-A1022 WeakPolarHBondContact O-CB 3.3Å; R1018-A1022 PolarHBondContact O-N 3.24Å; L1019-A1022 PolarHBondContact O-N 3.19Å; A1022-P1080 HydrophobicContact CB-CB 4.21Å; A1022-P1080 HydrophobicContact CB-CG 4.17Å |
| 1023 | L | 84.7 | Confident | 86.3 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 0.5 | 176 | -62.5 | 177.6 | 0 | 0 | 0 | 113.7 | M857 I865 L904 L1019 D1020 G1021 R1025 | M857-L1023 HydrophobicContact CE-CB 3.88Å; M857-L1023 HydrophobicContact CE-CD2 3.96Å; M857-L1023 HydrophobicContact CE-CG 4.36Å; M857-L1023 WeakPolarHBondContact CG-O 3.35Å; M857-L1023 HydrophobicContact SD-CB 4.33Å; I865-L1023 HydrophobicContact CD1-CD2 4.13Å; I865-L1023 HydrophobicContact CG1-CD2 3.79Å; L904-L1023 HydrophobicContact CD2-CD1 4.43Å; L904-L1023 HydrophobicContact CD2-CD2 4.12Å; L1019-L1023 WeakPolarHBondContact O-CB 3.08Å; L1019-L1023 VanDerWaalsContact O-CG 3.26Å; L1019-L1023 WeakPolarHBondContact O-CG 3.28Å; L1019-L1023 PolarHBondContact O-N 3.3Å; D1020-L1023 CarbonylContact O-C 3.57Å; D1020-L1023 PolarHBondContact O-N 2.97Å; G1021-L1023 VanDerWaalsContact C-N 3.31Å; G1021-L1023 PolarHBondContact O-N 3.32Å; L1023-R1025 VanDerWaalsContact C-N 3.31Å; L1023-R1025 HydrophobicContact CB-CG 3.98Å; L1023-R1025 PolarHBondContact O-N 2.84Å |
| 1024 | N | 84.3 | Confident | 86.7 | Confident | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.048 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 40.2 | -175.4 | -66.3 | -28.4 | 0 | 0 | 0 | 114.7 | D1020 G1021 V1026 N1075 R1083 | D1020-N1024 WeakPolarHBondContact O-CA 3.21Å; D1020-N1024 PolarHBondContact O-N 2.91Å; G1021-N1024 PolarHBondContact O-N 3.21Å; G1021-N1024 PolarHBondContact O-OD1 3.01Å; N1024-V1026 PolarHBondContact O-N 2.95Å; N1024-N1075 PolarHBondContact ND2-ND2 3.16Å; N1024-N1075 PolarHBondContact ND2-OD1 3.3Å; N1024-N1075 PolarHBondContact OD1-OD1 3.25Å; N1024-R1083 WeakPolarHBondContact OD1-CD 3.49Å; N1024-R1083 PolarHBondContact OD1-NH1 2.94Å |
| 1025 | R | 85.9 | Confident | 87.1 | Confident | 32 Ų | 32 | 29.9 Ų | 29.9 | 12% | 0.121 | 14% | 0.138 | C | C | . | . | trans | -80.6 | 110.8 | -175.7 | -76.9 | 176.9 | 165.1 | 173.2 | -3.4 | 113.1 | L853 M857 L904 D1020 L1023 Q1084 | L853-R1025 PolarHBondContact O-NH2 3.15Å; M857-R1025 HydrophobicContact CG-CG 3.6Å; M857-R1025 HydrophobicContact SD-CG 3.89Å; M857-R1025 PolarHBondContact SD-NE 2.89Å; L904-R1025 PolarHBondContact O-NH1 3.05Å; L904-R1025 PolarHBondContact O-NH2 3.24Å; D1020-R1025 HydrophobicContact CB-CB 4.01Å; D1020-R1025 PolarHBondContact O-N 3.48Å; D1020-R1025 WeakPolarHBondContact OD1-CD 3.3Å; L1023-R1025 VanDerWaalsContact C-N 3.31Å; L1023-R1025 HydrophobicContact CB-CG 3.98Å; L1023-R1025 PolarHBondContact O-N 2.84Å; R1025-Q1084 PolarHBondContact O-NE2 2.98Å | ||
| 1026 | V | 86.5 | Confident | 87.4 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | trans | -105.7 | 171.3 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | E856 R941 N1024 F1030 Y1031 V1087 | E856-V1026 HydrophobicContact CB-CG2 4.13Å; E856-V1026 WeakPolarHBondContact CB-O 3.47Å; R941-V1026 PolarHBondContact NH2-O 3.3Å; N1024-V1026 PolarHBondContact O-N 2.95Å; V1026-F1030 HydrophobicContact CB-CB 4.03Å; V1026-F1030 HydrophobicContact CB-CD1 3.82Å; V1026-F1030 HydrophobicContact CB-CE1 4.4Å; V1026-F1030 HydrophobicContact CB-CG 3.93Å; V1026-F1030 HydrophobicContact CG1-CD1 3.89Å; V1026-F1030 HydrophobicContact CG1-CE1 4Å; V1026-F1030 HydrophobicContact CG1-CG 4.41Å; V1026-F1030 HydrophobicContact CG2-CB 3.97Å; V1026-F1030 HydrophobicContact CG2-CD1 3.97Å; V1026-F1030 HydrophobicContact CG2-CG 4.23Å; V1026-Y1031 HydrophobicContact CG2-CD2 4.27Å; V1026-Y1031 HydrophobicContact CG2-CE2 3.42Å; V1026-Y1031 VanDerWaalsContact CG2-CE2 3.42Å; V1026-V1087 HydrophobicContact CG1-CG1 4.09Å; V1026-V1087 HydrophobicContact CG1-CG2 4.32Å | ||
| 1027 | P | 83.3 | Confident | 87.7 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 7% | 0.071 | 14% | 0.137 | C | C | . | . | trans | -71.3 | 146.4 | 170.2 | -22 | 34.2 | 0 | 0 | 0 | 115.1 | R941 G1029 F1030 L1091 | R941-P1027 VanDerWaalsContact CZ-CA 3.49Å; P1027-G1029 PolarHBondContact O-N 3.18Å; P1027-F1030 HydrophobicContact CB-CB 4.45Å; P1027-F1030 WeakPolarHBondContact O-CB 3.49Å; P1027-F1030 PolarHBondContact O-N 2.91Å; P1027-L1091 HydrophobicContact CB-CD1 4.41Å; P1027-L1091 HydrophobicContact CG-CD1 3.99Å; P1027-L1091 HydrophobicContact CG-CD2 3.75Å; P1027-L1091 HydrophobicContact CG-CG 4.48Å | ||
| 1028 | I | 83.3 | Confident | 87.9 | Confident | 125 Ų | 125 | 28.4 Ų | 28.4 | 64% | 0.641 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128.5 | 168.9 | -58.1 | 171.3 | 0 | 0 | 0 | 108.9 | E856 F1030 | E856-I1028 HydrophobicContact CG-CB 4.38Å; E856-I1028 HydrophobicContact CG-CG1 3.65Å; E856-I1028 WeakPolarHBondContact OE2-CA 3.16Å; I1028-F1030 VanDerWaalsContact C-N 3.34Å |
| 1029 | G | 85.2 | Confident | 88.1 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 22% | 0.216 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 8.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1027 Q1032 K1033 | P1027-G1029 PolarHBondContact O-N 3.18Å; G1029-Q1032 VanDerWaalsContact CA-OE1 3.22Å; G1029-K1033 WeakPolarHBondContact O-CD 3.38Å; G1029-K1033 WeakPolarHBondContact O-CG 3.32Å; G1029-K1033 PolarHBondContact O-N 2.73Å |
| 1030 | F | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61 | -52.6 | -180 | 174.6 | -102.2 | 0 | 0 | 0 | 111.3 | V1026 P1027 I1028 Q1032 K1033 V1034 V1070 L1074 V1087 I1090 L1091 | V1026-F1030 HydrophobicContact CB-CB 4.03Å; V1026-F1030 HydrophobicContact CB-CD1 3.82Å; V1026-F1030 HydrophobicContact CB-CE1 4.4Å; V1026-F1030 HydrophobicContact CB-CG 3.93Å; V1026-F1030 HydrophobicContact CG1-CD1 3.89Å; V1026-F1030 HydrophobicContact CG1-CE1 4Å; V1026-F1030 HydrophobicContact CG1-CG 4.41Å; V1026-F1030 HydrophobicContact CG2-CB 3.97Å; V1026-F1030 HydrophobicContact CG2-CD1 3.97Å; V1026-F1030 HydrophobicContact CG2-CG 4.23Å; P1027-F1030 HydrophobicContact CB-CB 4.45Å; P1027-F1030 WeakPolarHBondContact O-CB 3.49Å; P1027-F1030 PolarHBondContact O-N 2.91Å; I1028-F1030 VanDerWaalsContact C-N 3.34Å; F1030-Q1032 PolarHBondContact O-N 3.07Å; F1030-K1033 CarbonylContact O-C 3.59Å; F1030-K1033 WeakPolarHBondContact O-CA 3.49Å; F1030-K1033 WeakPolarHBondContact O-CB 3.27Å; F1030-K1033 PolarHBondContact O-N 3.28Å; F1030-V1034 HydrophobicContact CD1-CG2 4.08Å; F1030-V1034 HydrophobicContact CD2-CG2 4.32Å; F1030-V1034 HydrophobicContact CE1-CG2 3.79Å; F1030-V1034 HydrophobicContact CE2-CG2 4.06Å; F1030-V1034 HydrophobicContact CG-CG2 4.34Å; F1030-V1034 HydrophobicContact CZ-CG2 3.79Å; F1030-V1034 WeakPolarHBondContact O-CG2 3.29Å; F1030-V1034 PolarHBondContact O-N 3.05Å; F1030-V1070 HydrophobicContact CE1-CG1 4.09Å; F1030-L1074 HydrophobicContact CE1-CD1 4.2Å; F1030-L1074 HydrophobicContact CZ-CD1 4.43Å; F1030-V1087 HydrophobicContact CE2-CG1 4.08Å; F1030-V1087 HydrophobicContact CZ-CG1 4.27Å; F1030-I1090 HydrophobicContact CE2-CB 4.02Å; F1030-I1090 HydrophobicContact CE2-CG2 3.6Å; F1030-I1090 HydrophobicContact CZ-CB 4.1Å; F1030-I1090 HydrophobicContact CZ-CD1 4.41Å; F1030-I1090 HydrophobicContact CZ-CG2 3.66Å; F1030-L1091 HydrophobicContact CD2-CD1 4.45Å |
| 1031 | Y | 91 | Very high | 88.3 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | -176.5 | -60.3 | -68.2 | 0 | 0 | 0 | 112.8 | F858 V1026 K1033 V1034 W1035 F1066 S1067 V1070 E1071 | F858-Y1031 HydrophobicContact CD2-CD2 4.43Å; F858-Y1031 AromaticContact CD2-CE2 3.72Å; F858-Y1031 HydrophobicContact CD2-CE2 3.72Å; F858-Y1031 AromaticContact CE2-CD2 3.82Å; F858-Y1031 HydrophobicContact CE2-CD2 3.82Å; F858-Y1031 AromaticContact CE2-CE2 3.48Å; F858-Y1031 HydrophobicContact CE2-CE2 3.48Å; F858-Y1031 VanDerWaalsContact CE2-CE2 3.48Å; V1026-Y1031 HydrophobicContact CG2-CD2 4.27Å; V1026-Y1031 HydrophobicContact CG2-CE2 3.42Å; V1026-Y1031 VanDerWaalsContact CG2-CE2 3.42Å; Y1031-K1033 PolarHBondContact O-N 3.09Å; Y1031-V1034 PolarHBondContact O-N 3.04Å; Y1031-V1034 VanDerWaalsContact O-N 3.14Å; Y1031-W1035 PolarHBondContact O-N 2.99Å; Y1031-F1066 WeakPolarHBondContact O-CE1 3.42Å; Y1031-S1067 WeakPolarHBondContact CB-OG 3.35Å; Y1031-S1067 WeakPolarHBondContact CE1-O 3.34Å; Y1031-V1070 HydrophobicContact CD1-CB 3.74Å; Y1031-V1070 HydrophobicContact CD1-CG1 3.89Å; Y1031-V1070 HydrophobicContact CD1-CG2 4.08Å; Y1031-V1070 HydrophobicContact CE1-CB 3.78Å; Y1031-V1070 HydrophobicContact CE1-CG1 3.77Å; Y1031-E1071 HydrophobicContact CE1-CG 4.14Å; Y1031-E1071 WeakPolarHBondContact OH-CG 3.37Å; Y1031-E1071 PolarHBondContact OH-OE1 2.94Å; Y1031-E1071 VanDerWaalsContact OH-OE1 3.06Å |
| 1032 | Q | 90.8 | Very high | 88.4 | Confident | 82 Ų | 82 | 35.6 Ų | 35.6 | 38% | 0.383 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.5 | -35.6 | 174.7 | -65 | 78.1 | 3.5 | 0 | 0 | 111.9 | G1029 F1030 K1036 P1061 | G1029-Q1032 VanDerWaalsContact CA-OE1 3.22Å; F1030-Q1032 PolarHBondContact O-N 3.07Å; Q1032-K1036 WeakPolarHBondContact O-CG 3.44Å; Q1032-K1036 PolarHBondContact O-N 3.02Å; Q1032-P1061 HydrophobicContact CB-CB 4.43Å; Q1032-P1061 HydrophobicContact CG-CB 4.41Å; Q1032-P1061 WeakPolarHBondContact CG-O 3.38Å |
| 1033 | K | 91.1 | Very high | 88.9 | Confident | 86 Ų | 86 | 35.4 Ų | 35.4 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -76.5 | -36.7 | 177 | -70.1 | 170 | -176 | 169.7 | 0 | 112.8 | G1029 F1030 Y1031 W1035 K1036 I1037 T1094 | G1029-K1033 WeakPolarHBondContact O-CD 3.38Å; G1029-K1033 WeakPolarHBondContact O-CG 3.32Å; G1029-K1033 PolarHBondContact O-N 2.73Å; F1030-K1033 CarbonylContact O-C 3.59Å; F1030-K1033 WeakPolarHBondContact O-CA 3.49Å; F1030-K1033 WeakPolarHBondContact O-CB 3.27Å; F1030-K1033 PolarHBondContact O-N 3.28Å; Y1031-K1033 PolarHBondContact O-N 3.09Å; K1033-W1035 VanDerWaalsContact C-N 3.29Å; K1033-W1035 PolarHBondContact O-N 3.48Å; K1033-K1036 PolarHBondContact O-N 2.76Å; K1033-I1037 PolarHBondContact O-N 3.4Å; K1033-T1094 HydrophobicContact CB-CG2 3.52Å |
| 1034 | V | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -42.6 | 171.3 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | F1030 Y1031 K1036 I1037 L1038 L1044 L1051 F1066 V1070 I1090 | F1030-V1034 HydrophobicContact CD1-CG2 4.08Å; F1030-V1034 HydrophobicContact CD2-CG2 4.32Å; F1030-V1034 HydrophobicContact CE1-CG2 3.79Å; F1030-V1034 HydrophobicContact CE2-CG2 4.06Å; F1030-V1034 HydrophobicContact CG-CG2 4.34Å; F1030-V1034 HydrophobicContact CZ-CG2 3.79Å; F1030-V1034 WeakPolarHBondContact O-CG2 3.29Å; F1030-V1034 PolarHBondContact O-N 3.05Å; Y1031-V1034 PolarHBondContact O-N 3.04Å; Y1031-V1034 VanDerWaalsContact O-N 3.14Å; V1034-K1036 PolarHBondContact O-N 3.26Å; V1034-I1037 WeakPolarHBondContact O-CG2 3.38Å; V1034-I1037 PolarHBondContact O-N 3.36Å; V1034-L1038 HydrophobicContact CG1-CD1 4.28Å; V1034-L1038 WeakPolarHBondContact O-CG 3.46Å; V1034-L1038 PolarHBondContact O-N 2.56Å; V1034-L1044 HydrophobicContact CG1-CD1 4.18Å; V1034-L1051 HydrophobicContact CG1-CD2 3.93Å; V1034-F1066 HydrophobicContact CB-CE1 4.48Å; V1034-F1066 HydrophobicContact CG1-CE1 4.46Å; V1034-F1066 HydrophobicContact CG1-CZ 4.19Å; V1034-V1070 HydrophobicContact CG1-CG1 4.23Å; V1034-V1070 HydrophobicContact CG1-CG2 3.91Å; V1034-I1090 HydrophobicContact CG2-CG2 3.62Å |
| 1035 | W | 93.9 | Very high | 89.8 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 8% | 0.076 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 173.9 | -169.3 | 97.4 | 0 | 0 | 0 | 112 | Y1031 K1033 I1037 L1038 Q1039 T1056 M1059 P1061 F1066 | Y1031-W1035 PolarHBondContact O-N 2.99Å; K1033-W1035 VanDerWaalsContact C-N 3.29Å; K1033-W1035 PolarHBondContact O-N 3.48Å; W1035-I1037 PolarHBondContact O-N 2.86Å; W1035-L1038 PolarHBondContact O-N 3.37Å; W1035-Q1039 HydrophobicContact CE3-CG 4.09Å; W1035-Q1039 VanDerWaalsContact CH2-CD 3.49Å; W1035-Q1039 HydrophobicContact CH2-CG 4.21Å; W1035-Q1039 VanDerWaalsContact CH2-NE2 3.29Å; W1035-Q1039 HydrophobicContact CZ3-CG 3.94Å; W1035-Q1039 PolarHBondContact O-N 3.13Å; W1035-T1056 HydrophobicContact CD2-CG2 4.37Å; W1035-T1056 HydrophobicContact CG-CG2 4.27Å; W1035-M1059 PolarHBondContact NE1-O 3.08Å; W1035-P1061 HydrophobicContact CB-CB 3.96Å; W1035-P1061 HydrophobicContact CD2-CB 3.71Å; W1035-P1061 HydrophobicContact CD2-CG 4.06Å; W1035-P1061 HydrophobicContact CE3-CB 3.85Å; W1035-P1061 HydrophobicContact CE3-CG 3.94Å; W1035-P1061 HydrophobicContact CG-CB 3.75Å; W1035-P1061 HydrophobicContact CH2-CG 4.46Å; W1035-P1061 HydrophobicContact CZ3-CG 4.13Å; W1035-F1066 HydrophobicContact CB-CD1 4.26Å; W1035-F1066 HydrophobicContact CB-CE1 3.64Å; W1035-F1066 HydrophobicContact CB-CE2 4.41Å; W1035-F1066 HydrophobicContact CB-CZ 3.73Å; W1035-F1066 AromaticContact CD1-CD2 3.78Å; W1035-F1066 AromaticContact CD1-CE2 3.72Å; W1035-F1066 AromaticContact CD1-CZ 3.91Å; W1035-F1066 HydrophobicContact CG-CE1 4.34Å; W1035-F1066 HydrophobicContact CG-CE2 4.43Å; W1035-F1066 HydrophobicContact CG-CZ 4.22Å |
| 1036 | K | 91.1 | Very high | 90.1 | Very high | 101 Ų | 101 | 33.9 Ų | 33.9 | 44% | 0.439 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 178.2 | -72 | -180 | 177.5 | -170.3 | 0 | 114.1 | Q1032 K1033 V1034 A1097 | Q1032-K1036 WeakPolarHBondContact O-CG 3.44Å; Q1032-K1036 PolarHBondContact O-N 3.02Å; K1033-K1036 PolarHBondContact O-N 2.76Å; V1034-K1036 PolarHBondContact O-N 3.26Å; K1036-A1097 HydrophobicContact CB-CB 3.9Å |
| 1037 | I | 90.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -74.1 | -34.2 | 176.7 | -170.9 | 62.4 | 0 | 0 | 0 | 111.6 | K1033 V1034 W1035 Q1039 K1040 C1041 L1044 L1096 A1097 I1104 | K1033-I1037 PolarHBondContact O-N 3.4Å; V1034-I1037 WeakPolarHBondContact O-CG2 3.38Å; V1034-I1037 PolarHBondContact O-N 3.36Å; W1035-I1037 PolarHBondContact O-N 2.86Å; I1037-Q1039 PolarHBondContact O-N 2.61Å; I1037-K1040 WeakPolarHBondContact O-CA 3.4Å; I1037-K1040 PolarHBondContact O-N 3.38Å; I1037-C1041 PolarHBondContact O-N 3.32Å; I1037-L1044 HydrophobicContact CG2-CD1 4.28Å; I1037-L1096 HydrophobicContact CD1-CB 3.95Å; I1037-A1097 HydrophobicContact CB-CB 4.42Å; I1037-I1104 HydrophobicContact CD1-CD1 3.8Å |
| 1038 | L | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -26.7 | 173 | -75.2 | 174.3 | 0 | 0 | 0 | 113.7 | V1034 W1035 K1040 C1041 L1044 L1051 S1053 T1056 F1066 | V1034-L1038 HydrophobicContact CG1-CD1 4.28Å; V1034-L1038 WeakPolarHBondContact O-CG 3.46Å; V1034-L1038 PolarHBondContact O-N 2.56Å; W1035-L1038 PolarHBondContact O-N 3.37Å; L1038-K1040 PolarHBondContact O-N 3.26Å; L1038-C1041 VanDerWaalsContact O-O 3.12Å; L1038-L1044 HydrophobicContact CD2-CD1 4.43Å; L1038-L1044 HydrophobicContact CD2-CG 3.91Å; L1038-L1051 HydrophobicContact CD1-CD1 4.44Å; L1038-L1051 HydrophobicContact CD1-CD2 3.83Å; L1038-L1051 HydrophobicContact CD1-CG 3.81Å; L1038-L1051 HydrophobicContact CD2-CD2 4.42Å; L1038-L1051 HydrophobicContact CD2-CG 4.19Å; L1038-L1051 WeakPolarHBondContact CD2-O 3.47Å; L1038-S1053 WeakPolarHBondContact O-CB 3.48Å; L1038-T1056 HydrophobicContact CB-CG2 3.59Å; L1038-T1056 HydrophobicContact CD1-CG2 4.34Å; L1038-F1066 HydrophobicContact CD1-CE2 3.84Å; L1038-F1066 HydrophobicContact CD1-CZ 3.73Å |
| 1039 | Q | 89.8 | Confident | 90.6 | Very high | 96 Ų | 96 | 38.5 Ų | 38.5 | 45% | 0.449 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20.2 | 170.9 | -64.2 | -169.9 | -71.4 | 0 | 0 | 113.1 | W1035 I1037 T1056 | W1035-Q1039 HydrophobicContact CE3-CG 4.09Å; W1035-Q1039 VanDerWaalsContact CH2-CD 3.49Å; W1035-Q1039 HydrophobicContact CH2-CG 4.21Å; W1035-Q1039 VanDerWaalsContact CH2-NE2 3.29Å; W1035-Q1039 HydrophobicContact CZ3-CG 3.94Å; W1035-Q1039 PolarHBondContact O-N 3.13Å; I1037-Q1039 PolarHBondContact O-N 2.61Å; Q1039-T1056 HydrophobicContact CG-CG2 4.24Å |
| 1040 | K | 87.6 | Confident | 90.9 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 14% | 0.143 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -9.9 | -176 | -60 | -174.6 | -173.6 | 177.2 | 0 | 113.8 | I1037 L1038 L1096 A1097 I1099 S1103 I1104 | I1037-K1040 WeakPolarHBondContact O-CA 3.4Å; I1037-K1040 PolarHBondContact O-N 3.38Å; L1038-K1040 PolarHBondContact O-N 3.26Å; K1040-L1096 PolarHBondContact NZ-O 2.77Å; K1040-L1096 VanDerWaalsContact NZ-O 3.16Å; K1040-A1097 VanDerWaalsContact NZ-C 3.31Å; K1040-A1097 PolarHBondContact NZ-O 3.25Å; K1040-I1099 PolarHBondContact NZ-O 2.82Å; K1040-S1103 CarbonylContact O-C 3.6Å; K1040-S1103 WeakPolarHBondContact O-CA 3.27Å; K1040-S1103 PolarHBondContact O-OG 2.74Å; K1040-I1104 HydrophobicContact CB-CD1 4.39Å; K1040-I1104 HydrophobicContact CB-CG1 4.5Å; K1040-I1104 WeakPolarHBondContact O-CB 3.39Å; K1040-I1104 PolarHBondContact O-N 2.75Å |
| 1041 | C | 89.3 | Confident | 91.1 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -123.7 | 174.9 | 177 | 68.4 | 0 | 0 | 0 | 0 | 111.2 | I1037 L1038 G1043 S1053 I1104 S1106 I1108 | I1037-C1041 PolarHBondContact O-N 3.32Å; L1038-C1041 VanDerWaalsContact O-O 3.12Å; C1041-G1043 PolarHBondContact SG-O 2.9Å; C1041-G1043 VanDerWaalsContact SG-O 3.41Å; C1041-S1053 WeakPolarHBondContact O-CB 3.5Å; C1041-I1104 HydrophobicContact CB-CB 4.46Å; C1041-S1106 WeakPolarHBondContact CB-O 3.28Å; C1041-I1108 HydrophobicContact CB-CD1 3.99Å; C1041-I1108 HydrophobicContact CB-CG1 4.19Å |
| 1042 | H | 89.9 | Confident | 91.2 | Very high | 109 Ų | 109 | 42.6 Ų | 42.6 | 51% | 0.505 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -80 | -21.8 | 171.9 | -68 | 149.9 | 0 | 0 | 0 | 112.5 | S1053 G1105 S1106 I1107 | H1042-S1053 PolarHBondContact O-N 2.69Å; H1042-S1053 PolarHBondContact O-OG 3.02Å; H1042-G1105 PolarHBondContact CE1-O 2.99Å; H1042-G1105 PolarHBondContact ND1-O 3.04Å; H1042-S1106 PolarHBondContact N-O 2.96Å; H1042-I1107 HydrophobicContact CB-CG1 3.95Å |
| 1043 | G | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169 | 173.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1041 L1051 I1107 I1108 | C1041-G1043 PolarHBondContact SG-O 2.9Å; C1041-G1043 VanDerWaalsContact SG-O 3.41Å; G1043-L1051 CarbonylContact C-O 3.46Å; G1043-L1051 WeakPolarHBondContact CA-O 3.49Å; G1043-I1107 WeakPolarHBondContact O-CA 3.23Å; G1043-I1108 PolarHBondContact O-N 2.71Å |
| 1044 | L | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.4 | 168.4 | -58.6 | 179.2 | 0 | 0 | 0 | 108.3 | V1034 I1037 L1038 V1050 L1051 I1090 L1093 I1108 V1110 | V1034-L1044 HydrophobicContact CG1-CD1 4.18Å; I1037-L1044 HydrophobicContact CG2-CD1 4.28Å; L1038-L1044 HydrophobicContact CD2-CD1 4.43Å; L1038-L1044 HydrophobicContact CD2-CG 3.91Å; L1044-V1050 WeakPolarHBondContact O-CA 3.49Å; L1044-L1051 HydrophobicContact CB-CB 4.48Å; L1044-L1051 PolarHBondContact N-O 3.44Å; L1044-L1051 PolarHBondContact O-N 2.8Å; L1044-I1090 HydrophobicContact CD1-CG2 4.42Å; L1044-L1093 HydrophobicContact CD2-CD1 4.28Å; L1044-I1108 WeakPolarHBondContact CA-O 3.37Å; L1044-I1108 HydrophobicContact CD2-CB 3.98Å; L1044-I1108 HydrophobicContact CD2-CD1 4.27Å; L1044-I1108 HydrophobicContact CD2-CG1 4.5Å; L1044-V1110 HydrophobicContact CB-CG2 4.32Å |
| 1045 | S | 94.1 | Very high | 90.8 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 139.6 | 169 | 172 | 0 | 0 | 0 | 0 | 109.5 | G1048 F1049 I1108 V1110 E1111 | S1045-G1048 PolarHBondContact OG-N 3.38Å; S1045-F1049 WeakPolarHBondContact CA-O 3.45Å; S1045-I1108 PolarHBondContact N-O 2.82Å; S1045-V1110 WeakPolarHBondContact O-CB 3.33Å; S1045-V1110 VanDerWaalsContact O-CG2 3.28Å; S1045-V1110 WeakPolarHBondContact O-CG2 3.49Å; S1045-V1110 PolarHBondContact O-N 3.29Å; S1045-E1111 VanDerWaalsContact C-OE2 3.24Å; S1045-E1111 PolarHBondContact OG-OE1 3.07Å |
| 1046 | V | 93.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 113.6 | 168.2 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | G1048 F1049 V1073 L1074 V1077 L1086 V1110 E1111 | V1046-G1048 PolarHBondContact O-N 2.91Å; V1046-F1049 PolarHBondContact N-O 2.83Å; V1046-F1049 WeakPolarHBondContact O-CB 3.46Å; V1046-F1049 PolarHBondContact O-N 3.21Å; V1046-V1073 HydrophobicContact CB-CG1 3.88Å; V1046-V1073 HydrophobicContact CG2-CG1 4.05Å; V1046-L1074 HydrophobicContact CG2-CD2 4.5Å; V1046-V1077 HydrophobicContact CG1-CG2 3.61Å; V1046-L1086 HydrophobicContact CG1-CD1 4Å; V1046-V1110 HydrophobicContact CG2-CB 4.37Å; V1046-V1110 HydrophobicContact CG2-CG2 4.36Å; V1046-E1111 VanDerWaalsContact CA-OE2 3.3Å; V1046-E1111 WeakPolarHBondContact CA-OE2 3.44Å; V1046-E1111 PolarHBondContact N-OE2 2.86Å |
| 1047 | E | 88.7 | Confident | 90.4 | Very high | 86 Ų | 86 | 39.5 Ų | 39.5 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 40.7 | -177.7 | -63.4 | -57.6 | 123.4 | 0 | 0 | 113.2 | F1049 V1077 Y1082 E1111 | E1047-F1049 PolarHBondContact O-N 2.74Å; E1047-V1077 HydrophobicContact CG-CG2 4.08Å; E1047-Y1082 HydrophobicContact CG-CE1 4.28Å; E1047-Y1082 VanDerWaalsContact OE1-CE1 3.24Å; E1047-Y1082 WeakPolarHBondContact OE1-CE1 3.47Å; E1047-Y1082 PolarHBondContact OE1-OH 3.09Å; E1047-E1111 PolarHBondContact N-OE2 2.79Å; E1047-E1111 WeakPolarHBondContact OE1-CB 3.21Å |
| 1048 | G | 84.2 | Confident | 90.1 | Very high | 57 Ų | 57 | 42 Ų | 42 | 59% | 0.588 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | -7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1045 V1046 | S1045-G1048 PolarHBondContact OG-N 3.38Å; V1046-G1048 PolarHBondContact O-N 2.91Å |
| 1049 | F | 89.9 | Confident | 90 | Very high | 96 Ų | 96 | 42.7 Ų | 42.7 | 42% | 0.421 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 118.5 | 170.9 | -65 | -75.7 | 0 | 0 | 0 | 110.1 | S1045 V1046 E1047 V1073 R1076 | S1045-F1049 WeakPolarHBondContact CA-O 3.45Å; V1046-F1049 PolarHBondContact N-O 2.83Å; V1046-F1049 WeakPolarHBondContact O-CB 3.46Å; V1046-F1049 PolarHBondContact O-N 3.21Å; E1047-F1049 PolarHBondContact O-N 2.74Å; F1049-V1073 HydrophobicContact CB-CG1 4.41Å; F1049-R1076 HydrophobicContact CD2-CB 3.95Å; F1049-R1076 HydrophobicContact CD2-CG 3.9Å; F1049-R1076 HydrophobicContact CE2-CB 4.19Å; F1049-R1076 HydrophobicContact CE2-CG 4.18Å; F1049-R1076 HydrophobicContact CG-CG 4.22Å |
| 1050 | V | 92.1 | Very high | 90 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 39% | 0.388 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.6 | -179.1 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | L1044 P1052 I1107 | L1044-V1050 WeakPolarHBondContact O-CA 3.49Å; V1050-P1052 WeakPolarHBondContact O-CD 3.48Å; V1050-I1107 HydrophobicContact CG1-CD1 4.19Å; V1050-I1107 HydrophobicContact CG1-CG1 4.47Å; V1050-I1107 HydrophobicContact CG1-CG2 4.12Å; V1050-I1107 HydrophobicContact CG2-CD1 4.28Å; V1050-I1107 HydrophobicContact CG2-CG2 4.17Å |
| 1051 | L | 93.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 104.3 | 159.3 | 177.8 | 62.8 | 0 | 0 | 0 | 107.7 | V1034 L1038 G1043 L1044 H1069 V1070 V1073 | V1034-L1051 HydrophobicContact CG1-CD2 3.93Å; L1038-L1051 HydrophobicContact CD1-CD1 4.44Å; L1038-L1051 HydrophobicContact CD1-CD2 3.83Å; L1038-L1051 HydrophobicContact CD1-CG 3.81Å; L1038-L1051 HydrophobicContact CD2-CD2 4.42Å; L1038-L1051 HydrophobicContact CD2-CG 4.19Å; L1038-L1051 WeakPolarHBondContact CD2-O 3.47Å; G1043-L1051 CarbonylContact C-O 3.46Å; G1043-L1051 WeakPolarHBondContact CA-O 3.49Å; L1044-L1051 HydrophobicContact CB-CB 4.48Å; L1044-L1051 PolarHBondContact N-O 3.44Å; L1044-L1051 PolarHBondContact O-N 2.8Å; L1051-H1069 WeakPolarHBondContact CD1-CD2 3.3Å; L1051-V1070 HydrophobicContact CD2-CG1 4.47Å; L1051-V1070 HydrophobicContact CD2-CG2 3.94Å; L1051-V1073 HydrophobicContact CB-CG2 4.22Å; L1051-V1073 HydrophobicContact CD1-CG2 4.4Å |
| 1052 | P | 92.2 | Very high | 90 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 26% | 0.26 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 155 | -168.8 | 34.2 | -35.6 | 0 | 0 | 0 | 112.1 | V1050 S1054 S1055 | V1050-P1052 WeakPolarHBondContact O-CD 3.48Å; P1052-S1054 WeakPolarHBondContact CB-OG 3.36Å; P1052-S1054 WeakPolarHBondContact CG-OG 3.48Å; P1052-S1054 PolarHBondContact O-N 3.02Å; P1052-S1055 PolarHBondContact O-N 3.38Å; P1052-S1055 PolarHBondContact O-OG 2.86Å |
| 1053 | S | 90.3 | Very high | 89.9 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18 | 172.2 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | L1038 C1041 H1042 S1055 T1056 | L1038-S1053 WeakPolarHBondContact O-CB 3.48Å; C1041-S1053 WeakPolarHBondContact O-CB 3.5Å; H1042-S1053 PolarHBondContact O-N 2.69Å; H1042-S1053 PolarHBondContact O-OG 3.02Å; S1053-S1055 PolarHBondContact O-N 2.85Å; S1053-T1056 WeakPolarHBondContact O-CB 3.36Å; S1053-T1056 PolarHBondContact O-N 2.85Å; S1053-T1056 VanDerWaalsContact O-N 3.09Å; S1053-T1056 PolarHBondContact O-OG1 2.75Å |
| 1054 | S | 88.3 | Confident | 89.6 | Confident | 45 Ų | 45 | 35.1 Ų | 35.1 | 32% | 0.315 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.5 | 173.6 | 59 | 0 | 0 | 0 | 0 | 113 | P1052 T1056 R1057 E1058 | P1052-S1054 WeakPolarHBondContact CB-OG 3.36Å; P1052-S1054 WeakPolarHBondContact CG-OG 3.48Å; P1052-S1054 PolarHBondContact O-N 3.02Å; S1054-T1056 PolarHBondContact O-N 3.25Å; S1054-T1056 VanDerWaalsContact O-N 3.08Å; S1054-R1057 WeakPolarHBondContact O-CA 3.41Å; S1054-R1057 VanDerWaalsContact O-CB 3.25Å; S1054-R1057 WeakPolarHBondContact O-CB 3.17Å; S1054-R1057 PolarHBondContact O-N 3.42Å; S1054-E1058 PolarHBondContact O-N 3.38Å |
| 1055 | S | 88.6 | Confident | 89.2 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.9 | -26 | 175.7 | -48.5 | 0 | 0 | 0 | 0 | 112.6 | P1052 S1053 R1057 M1059 H1069 | P1052-S1055 PolarHBondContact O-N 3.38Å; P1052-S1055 PolarHBondContact O-OG 2.86Å; S1053-S1055 PolarHBondContact O-N 2.85Å; S1055-R1057 VanDerWaalsContact C-N 3.31Å; S1055-R1057 PolarHBondContact O-N 2.96Å; S1055-M1059 WeakPolarHBondContact O-CB 3.34Å; S1055-M1059 PolarHBondContact O-N 3.28Å; S1055-H1069 PolarHBondContact OG-CD2 3.09Å; S1055-H1069 PolarHBondContact OG-NE2 2.98Å |
| 1056 | T | 89.4 | Confident | 89 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76 | -16.6 | 175.2 | 71 | 0 | 0 | 0 | 0 | 113.9 | R298 W1035 L1038 Q1039 S1053 S1054 | R298-T1056 PolarHBondContact NH1-O 2.81Å; R298-T1056 PolarHBondContact NH2-O 2.94Å; R298-T1056 VanDerWaalsContact NH2-O 3.13Å; W1035-T1056 HydrophobicContact CD2-CG2 4.37Å; W1035-T1056 HydrophobicContact CG-CG2 4.27Å; L1038-T1056 HydrophobicContact CB-CG2 3.59Å; L1038-T1056 HydrophobicContact CD1-CG2 4.34Å; Q1039-T1056 HydrophobicContact CG-CG2 4.24Å; S1053-T1056 WeakPolarHBondContact O-CB 3.36Å; S1053-T1056 PolarHBondContact O-N 2.85Å; S1053-T1056 VanDerWaalsContact O-N 3.09Å; S1053-T1056 PolarHBondContact O-OG1 2.75Å; S1054-T1056 PolarHBondContact O-N 3.25Å; S1054-T1056 VanDerWaalsContact O-N 3.08Å |
| 1057 | R | 86.6 | Confident | 88.7 | Confident | 136 Ų | 136 | 37.6 Ų | 37.6 | 51% | 0.513 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -82.2 | -39 | 173.3 | -55.7 | -177.4 | -180 | -172.8 | -1.4 | 111 | R298 K319 S1054 S1055 | R298-R1057 PolarHBondContact NH1-O 3.35Å; K319-R1057 HydrophobicContact CB-CB 3.81Å; K319-R1057 HydrophobicContact CB-CG 4.35Å; K319-R1057 HydrophobicContact CG-CB 4.28Å; K319-R1057 HydrophobicContact CG-CG 4.35Å; K319-R1057 PolarHBondContact N-O 3.19Å; S1054-R1057 WeakPolarHBondContact O-CA 3.41Å; S1054-R1057 VanDerWaalsContact O-CB 3.25Å; S1054-R1057 WeakPolarHBondContact O-CB 3.17Å; S1054-R1057 PolarHBondContact O-N 3.42Å; S1055-R1057 VanDerWaalsContact C-N 3.31Å; S1055-R1057 PolarHBondContact O-N 2.96Å |
| 1058 | E | 84.9 | Confident | 88.6 | Confident | 53 Ų | 53 | 34.7 Ų | 34.7 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.4 | -47.2 | 176.4 | -70.6 | 162.1 | -135.4 | 0 | 0 | 111.5 | P315 L318 S1054 | P315-E1058 HydrophobicContact CB-CG 3.7Å; P315-E1058 VanDerWaalsContact O-CG 3.23Å; P315-E1058 WeakPolarHBondContact O-CG 3.4Å; L318-E1058 WeakPolarHBondContact CD1-O 3.19Å; S1054-E1058 PolarHBondContact O-N 3.38Å |
| 1059 | M | 90.4 | Very high | 88.7 | Confident | 14 Ų | 14 | 35.1 Ų | 35.1 | 7% | 0.069 | 19% | 0.186 | C | C | . | . | trans | -119.7 | 150.7 | -166.9 | -55.8 | 171.1 | -162.2 | 0 | 0 | 112.9 | R298 W1035 S1055 E1063 K1065 F1066 | R298-M1059 VanDerWaalsContact NH1-C 3.34Å; R298-M1059 PolarHBondContact NH1-O 3.18Å; W1035-M1059 PolarHBondContact NE1-O 3.08Å; S1055-M1059 WeakPolarHBondContact O-CB 3.34Å; S1055-M1059 PolarHBondContact O-N 3.28Å; M1059-E1063 WeakPolarHBondContact CA-OE2 3.36Å; M1059-E1063 VanDerWaalsContact CB-OE2 3.24Å; M1059-E1063 WeakPolarHBondContact CB-OE2 3.1Å; M1059-E1063 WeakPolarHBondContact CG-OE2 3.37Å; M1059-K1065 HydrophobicContact CE-CD 4.06Å; M1059-K1065 HydrophobicContact CE-CG 3.9Å; M1059-K1065 HydrophobicContact SD-CB 4.18Å; M1059-K1065 HydrophobicContact SD-CD 4.47Å; M1059-K1065 HydrophobicContact SD-CG 4.02Å; M1059-F1066 HydrophobicContact CB-CB 4Å; M1059-F1066 HydrophobicContact CB-CD2 4.38Å; M1059-F1066 VanDerWaalsContact SD-CA 3.53Å; M1059-F1066 HydrophobicContact SD-CB 3.91Å; M1059-F1066 HydrophobicContact SD-CD2 4.36Å | ||
| 1060 | T | 90.2 | Very high | 88.8 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | trans | -91.1 | 161.5 | 171.4 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | E254 G1062 E1063 | E254-T1060 VanDerWaalsContact OE2-CB 3.25Å; E254-T1060 WeakPolarHBondContact OE2-CB 3.2Å; E254-T1060 PolarHBondContact OE2-OG1 2.87Å; T1060-G1062 VanDerWaalsContact C-N 3.25Å; T1060-G1062 PolarHBondContact O-N 2.66Å; T1060-E1063 PolarHBondContact N-OE1 3.35Å; T1060-E1063 PolarHBondContact O-N 3.27Å; T1060-E1063 WeakPolarHBondContact OG1-CG 3.38Å; T1060-E1063 PolarHBondContact OG1-OE1 3.4Å | ||
| 1061 | P | 88.9 | Confident | 88.6 | Confident | 37 Ų | 37 | 27.7 Ų | 27.7 | 24% | 0.24 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17.2 | -174.9 | 25.9 | -33.6 | 0 | 0 | 0 | 114.6 | Q1032 W1035 | Q1032-P1061 HydrophobicContact CB-CB 4.43Å; Q1032-P1061 HydrophobicContact CG-CB 4.41Å; Q1032-P1061 WeakPolarHBondContact CG-O 3.38Å; W1035-P1061 HydrophobicContact CB-CB 3.96Å; W1035-P1061 HydrophobicContact CD2-CB 3.71Å; W1035-P1061 HydrophobicContact CD2-CG 4.06Å; W1035-P1061 HydrophobicContact CE3-CB 3.85Å; W1035-P1061 HydrophobicContact CE3-CG 3.94Å; W1035-P1061 HydrophobicContact CG-CB 3.75Å; W1035-P1061 HydrophobicContact CH2-CG 4.46Å; W1035-P1061 HydrophobicContact CZ3-CG 4.13Å |
| 1062 | G | 86.9 | Confident | 88.2 | Confident | 25 Ų | 25 | 29.6 Ų | 29.6 | 26% | 0.258 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | E254 T1060 | E254-G1062 WeakPolarHBondContact OE2-CA 3.49Å; E254-G1062 PolarHBondContact OE2-N 3.47Å; T1060-G1062 VanDerWaalsContact C-N 3.25Å; T1060-G1062 PolarHBondContact O-N 2.66Å |
| 1063 | E | 89.3 | Confident | 88.1 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | trans | -74.5 | 133.3 | -179.7 | -76.7 | 169 | -143.9 | 0 | 0 | 112.4 | K189 S252 M1059 T1060 K1065 F1066 S1067 | K189-E1063 IonicContact NZ-OE1 2.82Å; K189-E1063 PolarHBondContact NZ-OE1 2.93Å; S252-E1063 VanDerWaalsContact O-CD 3.25Å; S252-E1063 WeakPolarHBondContact O-CG 3.43Å; M1059-E1063 WeakPolarHBondContact CA-OE2 3.36Å; M1059-E1063 VanDerWaalsContact CB-OE2 3.24Å; M1059-E1063 WeakPolarHBondContact CB-OE2 3.1Å; M1059-E1063 WeakPolarHBondContact CG-OE2 3.37Å; T1060-E1063 PolarHBondContact N-OE1 3.35Å; T1060-E1063 PolarHBondContact O-N 3.27Å; T1060-E1063 WeakPolarHBondContact OG1-CG 3.38Å; T1060-E1063 PolarHBondContact OG1-OE1 3.4Å; E1063-K1065 HydrophobicContact CB-CB 4.5Å; E1063-K1065 PolarHBondContact O-N 2.62Å; E1063-F1066 PolarHBondContact O-N 2.66Å; E1063-S1067 PolarHBondContact O-N 3.13Å | ||
| 1064 | I | 84.9 | Confident | 88 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 5% | 0.051 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.8 | -33.2 | 172.2 | -62.6 | 176.2 | 0 | 0 | 0 | 110.1 | T251 Q793 F858 F1066 S1067 V1068 | T251-I1064 HydrophobicContact CG2-CB 3.98Å; T251-I1064 HydrophobicContact CG2-CG2 4.01Å; T251-I1064 PolarHBondContact O-N 3.03Å; Q793-I1064 HydrophobicContact CB-CD1 4.24Å; Q793-I1064 HydrophobicContact CG-CD1 4.13Å; F858-I1064 HydrophobicContact CD1-CG2 4.22Å; F858-I1064 HydrophobicContact CE1-CG1 4.48Å; F858-I1064 HydrophobicContact CE1-CG2 4.46Å; I1064-F1066 PolarHBondContact O-N 3.37Å; I1064-S1067 PolarHBondContact O-N 2.67Å; I1064-V1068 HydrophobicContact CG2-CG2 3.91Å; I1064-V1068 WeakPolarHBondContact O-CG2 3.43Å; I1064-V1068 PolarHBondContact O-N 3.4Å |
| 1065 | K | 86.1 | Confident | 87.8 | Confident | 60 Ų | 60 | 26.1 Ų | 26.1 | 26% | 0.261 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -52.4 | -40.5 | 175.2 | -161.7 | 176.8 | -174.5 | -179.6 | 0 | 112.1 | D188 T251 M1059 E1063 H1069 | D188-K1065 IonicContact OD2-NZ 3.33Å; D188-K1065 PolarHBondContact OD2-NZ 3.38Å; T251-K1065 HydrophobicContact CG2-CB 4.33Å; T251-K1065 PolarHBondContact O-N 2.88Å; M1059-K1065 HydrophobicContact CE-CD 4.06Å; M1059-K1065 HydrophobicContact CE-CG 3.9Å; M1059-K1065 HydrophobicContact SD-CB 4.18Å; M1059-K1065 HydrophobicContact SD-CD 4.47Å; M1059-K1065 HydrophobicContact SD-CG 4.02Å; E1063-K1065 HydrophobicContact CB-CB 4.5Å; E1063-K1065 PolarHBondContact O-N 2.62Å; K1065-H1069 WeakPolarHBondContact O-CB 3.38Å; K1065-H1069 PolarHBondContact O-N 2.7Å; K1065-H1069 VanDerWaalsContact O-N 3.13Å |
| 1066 | F | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.4 | -47.9 | 175.2 | 179.7 | -95.8 | 0 | 0 | 0 | 112.1 | Y1031 V1034 W1035 L1038 M1059 E1063 I1064 V1068 H1069 V1070 | Y1031-F1066 WeakPolarHBondContact O-CE1 3.42Å; V1034-F1066 HydrophobicContact CB-CE1 4.48Å; V1034-F1066 HydrophobicContact CG1-CE1 4.46Å; V1034-F1066 HydrophobicContact CG1-CZ 4.19Å; W1035-F1066 HydrophobicContact CB-CD1 4.26Å; W1035-F1066 HydrophobicContact CB-CE1 3.64Å; W1035-F1066 HydrophobicContact CB-CE2 4.41Å; W1035-F1066 HydrophobicContact CB-CZ 3.73Å; W1035-F1066 AromaticContact CD1-CD2 3.78Å; W1035-F1066 AromaticContact CD1-CE2 3.72Å; W1035-F1066 AromaticContact CD1-CZ 3.91Å; W1035-F1066 HydrophobicContact CG-CE1 4.34Å; W1035-F1066 HydrophobicContact CG-CE2 4.43Å; W1035-F1066 HydrophobicContact CG-CZ 4.22Å; L1038-F1066 HydrophobicContact CD1-CE2 3.84Å; L1038-F1066 HydrophobicContact CD1-CZ 3.73Å; M1059-F1066 HydrophobicContact CB-CB 4Å; M1059-F1066 HydrophobicContact CB-CD2 4.38Å; M1059-F1066 VanDerWaalsContact SD-CA 3.53Å; M1059-F1066 HydrophobicContact SD-CB 3.91Å; M1059-F1066 HydrophobicContact SD-CD2 4.36Å; E1063-F1066 PolarHBondContact O-N 2.66Å; I1064-F1066 PolarHBondContact O-N 3.37Å; F1066-V1068 VanDerWaalsContact C-N 3.32Å; F1066-V1068 PolarHBondContact O-N 3.5Å; F1066-H1069 WeakPolarHBondContact O-CB 3.24Å; F1066-H1069 PolarHBondContact O-N 2.87Å; F1066-V1070 HydrophobicContact CD1-CG2 4.14Å; F1066-V1070 HydrophobicContact CE1-CG2 3.55Å; F1066-V1070 HydrophobicContact CE2-CG2 4.33Å; F1066-V1070 HydrophobicContact CZ-CG2 3.66Å; F1066-V1070 WeakPolarHBondContact O-CG2 3.46Å; F1066-V1070 PolarHBondContact O-N 2.71Å |
| 1067 | S | 87.6 | Confident | 87.5 | Confident | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.3 | -44.1 | 178.3 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | Y1031 E1063 I1064 H1069 V1070 E1071 | Y1031-S1067 WeakPolarHBondContact CB-OG 3.35Å; Y1031-S1067 WeakPolarHBondContact CE1-O 3.34Å; E1063-S1067 PolarHBondContact O-N 3.13Å; I1064-S1067 PolarHBondContact O-N 2.67Å; S1067-H1069 VanDerWaalsContact C-N 3.32Å; S1067-H1069 PolarHBondContact O-N 2.95Å; S1067-V1070 PolarHBondContact O-N 3.32Å; S1067-E1071 PolarHBondContact O-N 2.9Å |
| 1068 | V | 85.5 | Confident | 87.2 | Confident | 24 Ų | 24 | 29.3 Ų | 29.3 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.8 | -33 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | I1064 F1066 E1071 S1072 | I1064-V1068 HydrophobicContact CG2-CG2 3.91Å; I1064-V1068 WeakPolarHBondContact O-CG2 3.43Å; I1064-V1068 PolarHBondContact O-N 3.4Å; F1066-V1068 VanDerWaalsContact C-N 3.32Å; F1066-V1068 PolarHBondContact O-N 3.5Å; V1068-E1071 PolarHBondContact O-N 2.85Å; V1068-S1072 WeakPolarHBondContact O-CB 3.29Å; V1068-S1072 PolarHBondContact O-N 3.02Å |
| 1069 | H | 87.7 | Confident | 87.3 | Confident | 66 Ų | 66 | 29.4 Ų | 29.4 | 31% | 0.306 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.4 | -42 | 174 | -171.4 | 57.8 | 0 | 0 | 0 | 111.9 | L1051 S1055 K1065 F1066 S1067 S1072 V1073 | L1051-H1069 WeakPolarHBondContact CD1-CD2 3.3Å; S1055-H1069 PolarHBondContact OG-CD2 3.09Å; S1055-H1069 PolarHBondContact OG-NE2 2.98Å; K1065-H1069 WeakPolarHBondContact O-CB 3.38Å; K1065-H1069 PolarHBondContact O-N 2.7Å; K1065-H1069 VanDerWaalsContact O-N 3.13Å; F1066-H1069 WeakPolarHBondContact O-CB 3.24Å; F1066-H1069 PolarHBondContact O-N 2.87Å; S1067-H1069 VanDerWaalsContact C-N 3.32Å; S1067-H1069 PolarHBondContact O-N 2.95Å; H1069-S1072 WeakPolarHBondContact O-CB 3.43Å; H1069-S1072 PolarHBondContact O-N 3.23Å; H1069-V1073 PolarHBondContact O-N 3.08Å |
| 1070 | V | 90.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 172.3 | 180 | 0 | 0 | 0 | 0 | 111 | F1030 Y1031 V1034 L1051 F1066 S1067 S1072 V1073 L1074 | F1030-V1070 HydrophobicContact CE1-CG1 4.09Å; Y1031-V1070 HydrophobicContact CD1-CB 3.74Å; Y1031-V1070 HydrophobicContact CD1-CG1 3.89Å; Y1031-V1070 HydrophobicContact CD1-CG2 4.08Å; Y1031-V1070 HydrophobicContact CE1-CB 3.78Å; Y1031-V1070 HydrophobicContact CE1-CG1 3.77Å; V1034-V1070 HydrophobicContact CG1-CG1 4.23Å; V1034-V1070 HydrophobicContact CG1-CG2 3.91Å; L1051-V1070 HydrophobicContact CD2-CG1 4.47Å; L1051-V1070 HydrophobicContact CD2-CG2 3.94Å; F1066-V1070 HydrophobicContact CD1-CG2 4.14Å; F1066-V1070 HydrophobicContact CE1-CG2 3.55Å; F1066-V1070 HydrophobicContact CE2-CG2 4.33Å; F1066-V1070 HydrophobicContact CZ-CG2 3.66Å; F1066-V1070 WeakPolarHBondContact O-CG2 3.46Å; F1066-V1070 PolarHBondContact O-N 2.71Å; S1067-V1070 PolarHBondContact O-N 3.32Å; V1070-S1072 VanDerWaalsContact C-N 3.3Å; V1070-S1072 PolarHBondContact O-N 3.28Å; V1070-V1073 PolarHBondContact O-N 3.23Å; V1070-L1074 HydrophobicContact CG1-CD1 4.13Å; V1070-L1074 PolarHBondContact O-N 3.28Å; V1070-L1074 VanDerWaalsContact O-N 3.13Å |
| 1071 | E | 88.4 | Confident | 87.2 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | 174.5 | -76.4 | -164.2 | -179.7 | 0 | 0 | 112 | F858 R859 Y1031 S1067 V1068 V1073 L1074 N1075 | F858-E1071 WeakPolarHBondContact CB-OE1 3.45Å; F858-E1071 PolarHBondContact N-OE1 2.97Å; R859-E1071 WeakPolarHBondContact CB-OE2 3.49Å; Y1031-E1071 HydrophobicContact CE1-CG 4.14Å; Y1031-E1071 WeakPolarHBondContact OH-CG 3.37Å; Y1031-E1071 PolarHBondContact OH-OE1 2.94Å; Y1031-E1071 VanDerWaalsContact OH-OE1 3.06Å; S1067-E1071 PolarHBondContact O-N 2.9Å; V1068-E1071 PolarHBondContact O-N 2.85Å; E1071-V1073 VanDerWaalsContact C-N 3.25Å; E1071-V1073 PolarHBondContact O-N 3.27Å; E1071-L1074 PolarHBondContact O-N 3.23Å; E1071-N1075 VanDerWaalsContact O-CB 3.24Å; E1071-N1075 WeakPolarHBondContact O-CB 3.21Å; E1071-N1075 VanDerWaalsContact O-CG 3.29Å; E1071-N1075 PolarHBondContact O-N 3.31Å; E1071-N1075 PolarHBondContact O-ND2 2.73Å |
| 1072 | S | 86 | Confident | 87.4 | Confident | 47 Ų | 47 | 29 Ų | 29 | 33% | 0.329 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.6 | -34.7 | 180 | -169.1 | 0 | 0 | 0 | 0 | 112.6 | V1068 H1069 V1070 | V1068-S1072 WeakPolarHBondContact O-CB 3.29Å; V1068-S1072 PolarHBondContact O-N 3.02Å; H1069-S1072 WeakPolarHBondContact O-CB 3.43Å; H1069-S1072 PolarHBondContact O-N 3.23Å; V1070-S1072 VanDerWaalsContact C-N 3.3Å; V1070-S1072 PolarHBondContact O-N 3.28Å |
| 1073 | V | 89.3 | Confident | 87.6 | Confident | 16 Ų | 16 | 27.9 Ų | 27.9 | 10% | 0.097 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -72.6 | -48.6 | 174.2 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | V1046 F1049 L1051 H1069 V1070 E1071 N1075 R1076 | V1046-V1073 HydrophobicContact CB-CG1 3.88Å; V1046-V1073 HydrophobicContact CG2-CG1 4.05Å; F1049-V1073 HydrophobicContact CB-CG1 4.41Å; L1051-V1073 HydrophobicContact CB-CG2 4.22Å; L1051-V1073 HydrophobicContact CD1-CG2 4.4Å; H1069-V1073 PolarHBondContact O-N 3.08Å; V1070-V1073 PolarHBondContact O-N 3.23Å; E1071-V1073 VanDerWaalsContact C-N 3.25Å; E1071-V1073 PolarHBondContact O-N 3.27Å; V1073-N1075 VanDerWaalsContact C-N 3.3Å; V1073-N1075 PolarHBondContact O-N 2.98Å; V1073-R1076 WeakPolarHBondContact O-CB 3.18Å; V1073-R1076 PolarHBondContact O-N 3.35Å |
| 1074 | L | 89.3 | Confident | 87.8 | Confident | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -34.9 | 178.3 | -68.7 | 170.8 | 0 | 0 | 0 | 113.1 | F1030 V1046 V1070 E1071 R1076 V1077 R1083 V1087 I1090 | F1030-L1074 HydrophobicContact CE1-CD1 4.2Å; F1030-L1074 HydrophobicContact CZ-CD1 4.43Å; V1046-L1074 HydrophobicContact CG2-CD2 4.5Å; V1070-L1074 HydrophobicContact CG1-CD1 4.13Å; V1070-L1074 PolarHBondContact O-N 3.28Å; V1070-L1074 VanDerWaalsContact O-N 3.13Å; E1071-L1074 PolarHBondContact O-N 3.23Å; L1074-R1076 PolarHBondContact O-N 2.85Å; L1074-V1077 WeakPolarHBondContact O-CB 3.32Å; L1074-V1077 PolarHBondContact O-N 2.81Å; L1074-R1083 HydrophobicContact CB-CG 4.43Å; L1074-R1083 WeakPolarHBondContact O-CD 3.2Å; L1074-R1083 WeakPolarHBondContact O-CG 3.18Å; L1074-R1083 PolarHBondContact O-NE 2.96Å; L1074-V1087 HydrophobicContact CD1-CG2 3.98Å; L1074-V1087 HydrophobicContact CD2-CG2 4.27Å; L1074-I1090 HydrophobicContact CD2-CD1 3.87Å |
| 1075 | N | 83.5 | Confident | 88.2 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 9% | 0.086 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -13.8 | 179.7 | -83.4 | -59.5 | 0 | 0 | 0 | 114 | R861 N1024 E1071 V1073 V1077 | R861-N1075 WeakPolarHBondContact CD-OD1 3.42Å; R861-N1075 PolarHBondContact NH1-OD1 2.94Å; N1024-N1075 PolarHBondContact ND2-ND2 3.16Å; N1024-N1075 PolarHBondContact ND2-OD1 3.3Å; N1024-N1075 PolarHBondContact OD1-OD1 3.25Å; E1071-N1075 VanDerWaalsContact O-CB 3.24Å; E1071-N1075 WeakPolarHBondContact O-CB 3.21Å; E1071-N1075 VanDerWaalsContact O-CG 3.29Å; E1071-N1075 PolarHBondContact O-N 3.31Å; E1071-N1075 PolarHBondContact O-ND2 2.73Å; V1073-N1075 VanDerWaalsContact C-N 3.3Å; V1073-N1075 PolarHBondContact O-N 2.98Å; N1075-V1077 PolarHBondContact O-N 2.96Å |
| 1076 | R | 83.7 | Confident | 88.6 | Confident | 137 Ų | 137 | 25.4 Ų | 25.4 | 52% | 0.517 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -26.3 | 172.4 | -64.1 | -61.4 | 179.9 | 109.4 | -12.9 | 112.8 | F1049 V1073 L1074 P1078 | F1049-R1076 HydrophobicContact CD2-CB 3.95Å; F1049-R1076 HydrophobicContact CD2-CG 3.9Å; F1049-R1076 HydrophobicContact CE2-CB 4.19Å; F1049-R1076 HydrophobicContact CE2-CG 4.18Å; F1049-R1076 HydrophobicContact CG-CG 4.22Å; V1073-R1076 WeakPolarHBondContact O-CB 3.18Å; V1073-R1076 PolarHBondContact O-N 3.35Å; L1074-R1076 PolarHBondContact O-N 2.85Å; R1076-P1078 VanDerWaalsContact O-CD 3.29Å; R1076-P1078 WeakPolarHBondContact O-CD 3.32Å |
| 1077 | V | 87.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -74.3 | 113.2 | 176.9 | -175 | 0 | 0 | 0 | 0 | 108.6 | V1046 E1047 L1074 N1075 Y1082 R1083 L1086 | V1046-V1077 HydrophobicContact CG1-CG2 3.61Å; E1047-V1077 HydrophobicContact CG-CG2 4.08Å; L1074-V1077 WeakPolarHBondContact O-CB 3.32Å; L1074-V1077 PolarHBondContact O-N 2.81Å; N1075-V1077 PolarHBondContact O-N 2.96Å; V1077-Y1082 HydrophobicContact CG1-CD1 3.47Å; V1077-Y1082 VanDerWaalsContact CG1-CD1 3.47Å; V1077-Y1082 HydrophobicContact CG1-CE1 4.12Å; V1077-Y1082 HydrophobicContact CG1-CG 4.2Å; V1077-R1083 HydrophobicContact CB-CB 4.12Å; V1077-R1083 HydrophobicContact CB-CG 4.24Å; V1077-R1083 HydrophobicContact CG1-CB 4.04Å; V1077-R1083 PolarHBondContact O-NE 3.13Å; V1077-R1083 VanDerWaalsContact O-NE 3.07Å; V1077-R1083 PolarHBondContact O-NH2 2.85Å; V1077-L1086 HydrophobicContact CB-CD1 4.4Å; V1077-L1086 HydrophobicContact CG1-CD1 4.04Å; V1077-L1086 HydrophobicContact CG2-CD1 3.56Å | ||
| 1078 | P | 81.6 | Confident | 89.1 | Confident | 80 Ų | 80 | 26.3 Ų | 26.3 | 52% | 0.519 | 14% | 0.135 | S | C | . | . | trans | -74.6 | -37 | -172.7 | 21.3 | -21.9 | 0 | 0 | 0 | 112.9 | R1076 P1080 R1083 | R1076-P1078 VanDerWaalsContact O-CD 3.29Å; R1076-P1078 WeakPolarHBondContact O-CD 3.32Å; P1078-P1080 WeakPolarHBondContact O-CD 3.05Å; P1078-R1083 PolarHBondContact O-NH2 3.27Å | ||
| 1079 | Q | 86.8 | Confident | 89.5 | Confident | 56 Ų | 56 | 25.2 Ų | 25.2 | 26% | 0.262 | 13% | 0.128 | S | C | . | . | trans | -75.4 | 119.3 | -178.7 | -59.6 | 76.4 | 12.3 | 0 | 0 | 111.2 | E1081 Y1082 R1083 A1140 | Q1079-E1081 PolarHBondContact O-N 2.76Å; Q1079-Y1082 PolarHBondContact O-N 3.29Å; Q1079-R1083 WeakPolarHBondContact O-CB 3.47Å; Q1079-R1083 PolarHBondContact O-N 3.17Å; Q1079-A1140 HydrophobicContact CG-CB 4.44Å; Q1079-A1140 VanDerWaalsContact NE2-CB 3.3Å | ||
| 1080 | P | 88.1 | Confident | 89.8 | Confident | 24 Ų | 24 | 22.2 Ų | 22.2 | 16% | 0.156 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | 179.7 | -30.2 | 39.3 | 0 | 0 | 0 | 114.4 | R1018 G1021 A1022 P1078 Y1082 R1083 Q1084 | R1018-P1080 HydrophobicContact CG-CB 4.34Å; R1018-P1080 WeakPolarHBondContact O-CB 3.45Å; G1021-P1080 WeakPolarHBondContact CA-O 3.37Å; A1022-P1080 HydrophobicContact CB-CB 4.21Å; A1022-P1080 HydrophobicContact CB-CG 4.17Å; P1078-P1080 WeakPolarHBondContact O-CD 3.05Å; P1080-Y1082 VanDerWaalsContact C-N 3.34Å; P1080-Y1082 PolarHBondContact O-N 2.79Å; P1080-R1083 WeakPolarHBondContact O-CB 3.43Å; P1080-R1083 PolarHBondContact O-N 3.47Å; P1080-Q1084 PolarHBondContact O-N 3.05Å |
| 1081 | E | 89.5 | Confident | 89.7 | Confident | 20 Ų | 20 | 23 Ų | 23 | 9% | 0.093 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | -176.9 | -60.5 | 92.1 | 136.1 | 0 | 0 | 112.1 | Q1014 R1017 R1018 Q1079 Q1084 L1085 Y1148 | Q1014-E1081 HydrophobicContact CG-CG 4.22Å; R1017-E1081 HydrophobicContact CB-CB 4.27Å; R1017-E1081 HydrophobicContact CB-CG 4.3Å; R1018-E1081 HydrophobicContact CB-CG 3.91Å; R1018-E1081 IonicContact CZ-OE1 3.37Å; R1018-E1081 IonicContact NE-OE1 3.57Å; R1018-E1081 PolarHBondContact NE-OE1 2.96Å; R1018-E1081 IonicContact NE-OE2 3.64Å; R1018-E1081 IonicContact NH2-OE1 2.72Å; R1018-E1081 PolarHBondContact NH2-OE1 2.92Å; Q1079-E1081 PolarHBondContact O-N 2.76Å; E1081-Q1084 PolarHBondContact O-N 3.44Å; E1081-L1085 PolarHBondContact O-N 2.69Å; E1081-L1085 VanDerWaalsContact O-N 3.14Å; E1081-Y1148 HydrophobicContact CB-CD1 3.65Å; E1081-Y1148 HydrophobicContact CB-CE1 3.81Å; E1081-Y1148 HydrophobicContact CB-CG 4.19Å |
| 1082 | Y | 93.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.4 | -43.2 | 176.4 | -173.4 | -136.9 | 0 | 0 | 0 | 111.5 | E1047 V1077 Q1079 P1080 Q1084 L1085 L1086 V1114 I1143 Y1148 | E1047-Y1082 HydrophobicContact CG-CE1 4.28Å; E1047-Y1082 VanDerWaalsContact OE1-CE1 3.24Å; E1047-Y1082 WeakPolarHBondContact OE1-CE1 3.47Å; E1047-Y1082 PolarHBondContact OE1-OH 3.09Å; V1077-Y1082 HydrophobicContact CG1-CD1 3.47Å; V1077-Y1082 VanDerWaalsContact CG1-CD1 3.47Å; V1077-Y1082 HydrophobicContact CG1-CE1 4.12Å; V1077-Y1082 HydrophobicContact CG1-CG 4.2Å; Q1079-Y1082 PolarHBondContact O-N 3.29Å; P1080-Y1082 VanDerWaalsContact C-N 3.34Å; P1080-Y1082 PolarHBondContact O-N 2.79Å; Y1082-Q1084 PolarHBondContact O-N 3.13Å; Y1082-L1085 PolarHBondContact O-N 3.2Å; Y1082-L1085 VanDerWaalsContact O-N 3.11Å; Y1082-L1086 HydrophobicContact CD1-CD1 4.16Å; Y1082-L1086 HydrophobicContact CD2-CD1 4.47Å; Y1082-L1086 HydrophobicContact CE1-CD1 3.89Å; Y1082-L1086 HydrophobicContact CE2-CD1 4.23Å; Y1082-L1086 HydrophobicContact CE2-CD2 4.44Å; Y1082-L1086 HydrophobicContact CE2-CG 4.22Å; Y1082-L1086 HydrophobicContact CG-CD1 4.4Å; Y1082-L1086 WeakPolarHBondContact O-CG 3.5Å; Y1082-L1086 PolarHBondContact O-N 3.2Å; Y1082-V1114 HydrophobicContact CD2-CG1 4.46Å; Y1082-V1114 HydrophobicContact CE2-CB 4.44Å; Y1082-V1114 HydrophobicContact CE2-CG1 3.95Å; Y1082-I1143 HydrophobicContact CD2-CG1 4.04Å; Y1082-I1143 HydrophobicContact CE2-CD1 4.46Å; Y1082-I1143 HydrophobicContact CE2-CG1 4.08Å; Y1082-Y1148 VanDerWaalsContact CB-OH 3.3Å; Y1082-Y1148 WeakPolarHBondContact CB-OH 3.48Å; Y1082-Y1148 WeakPolarHBondContact CD2-OH 3.47Å |
| 1083 | R | 92.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 1% | 0.011 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53.7 | -41 | 172.2 | -165.9 | -173.5 | -55.3 | 145.7 | 9.8 | 111.1 | G1021 N1024 L1074 V1077 P1078 Q1079 P1080 L1086 V1087 | G1021-R1083 PolarHBondContact O-NH1 2.97Å; N1024-R1083 WeakPolarHBondContact OD1-CD 3.49Å; N1024-R1083 PolarHBondContact OD1-NH1 2.94Å; L1074-R1083 HydrophobicContact CB-CG 4.43Å; L1074-R1083 WeakPolarHBondContact O-CD 3.2Å; L1074-R1083 WeakPolarHBondContact O-CG 3.18Å; L1074-R1083 PolarHBondContact O-NE 2.96Å; V1077-R1083 HydrophobicContact CB-CB 4.12Å; V1077-R1083 HydrophobicContact CB-CG 4.24Å; V1077-R1083 HydrophobicContact CG1-CB 4.04Å; V1077-R1083 PolarHBondContact O-NE 3.13Å; V1077-R1083 VanDerWaalsContact O-NE 3.07Å; V1077-R1083 PolarHBondContact O-NH2 2.85Å; P1078-R1083 PolarHBondContact O-NH2 3.27Å; Q1079-R1083 WeakPolarHBondContact O-CB 3.47Å; Q1079-R1083 PolarHBondContact O-N 3.17Å; P1080-R1083 WeakPolarHBondContact O-CB 3.43Å; P1080-R1083 PolarHBondContact O-N 3.47Å; R1083-L1086 WeakPolarHBondContact O-CB 3.41Å; R1083-L1086 PolarHBondContact O-N 3Å; R1083-V1087 WeakPolarHBondContact O-CG2 3.15Å; R1083-V1087 PolarHBondContact O-N 2.94Å |
| 1084 | Q | 92.4 | Very high | 89.7 | Confident | 20 Ų | 20 | 20.8 Ų | 20.8 | 9% | 0.093 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.4 | -34.2 | 178.8 | -162.7 | 65.6 | -9.4 | 0 | 0 | 113.6 | R1017 D1020 R1025 P1080 E1081 Y1082 L1086 V1087 E1088 | R1017-Q1084 HydrophobicContact CB-CB 4.13Å; R1017-Q1084 HydrophobicContact CB-CG 4.33Å; R1017-Q1084 HydrophobicContact CG-CB 4.26Å; R1017-Q1084 HydrophobicContact CG-CG 4.08Å; D1020-Q1084 HydrophobicContact CB-CG 4.41Å; R1025-Q1084 PolarHBondContact O-NE2 2.98Å; P1080-Q1084 PolarHBondContact O-N 3.05Å; E1081-Q1084 PolarHBondContact O-N 3.44Å; Y1082-Q1084 PolarHBondContact O-N 3.13Å; Q1084-L1086 VanDerWaalsContact C-N 3.31Å; Q1084-L1086 PolarHBondContact O-N 2.91Å; Q1084-V1087 PolarHBondContact O-N 2.99Å; Q1084-E1088 WeakPolarHBondContact O-CG 3.49Å; Q1084-E1088 PolarHBondContact O-N 2.94Å |
| 1085 | L | 93.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.4 | -34.9 | 169.9 | -71.7 | -173.2 | 0 | 0 | 0 | 112.4 | E1081 Y1082 E1088 A1089 V1114 I1143 L1147 Y1148 T1158 | E1081-L1085 PolarHBondContact O-N 2.69Å; E1081-L1085 VanDerWaalsContact O-N 3.14Å; Y1082-L1085 PolarHBondContact O-N 3.2Å; Y1082-L1085 VanDerWaalsContact O-N 3.11Å; L1085-E1088 PolarHBondContact O-N 3.4Å; L1085-A1089 WeakPolarHBondContact O-CB 3.44Å; L1085-A1089 PolarHBondContact O-N 2.86Å; L1085-V1114 HydrophobicContact CB-CG1 4.1Å; L1085-V1114 HydrophobicContact CD1-CG1 4.17Å; L1085-I1143 HydrophobicContact CD1-CG2 4.02Å; L1085-L1147 HydrophobicContact CD1-CD2 4.34Å; L1085-Y1148 HydrophobicContact CD1-CD1 3.62Å; L1085-Y1148 HydrophobicContact CD1-CE1 3.39Å; L1085-Y1148 HydrophobicContact CG-CD1 4.06Å; L1085-Y1148 HydrophobicContact CG-CE1 3.94Å; L1085-T1158 HydrophobicContact CD2-CG2 4.01Å |
| 1086 | L | 94.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.9 | -37.7 | 174 | -67.4 | 160 | 0 | 0 | 0 | 111.5 | V1046 V1077 Y1082 R1083 Q1084 A1089 I1090 V1110 E1111 V1114 | V1046-L1086 HydrophobicContact CG1-CD1 4Å; V1077-L1086 HydrophobicContact CB-CD1 4.4Å; V1077-L1086 HydrophobicContact CG1-CD1 4.04Å; V1077-L1086 HydrophobicContact CG2-CD1 3.56Å; Y1082-L1086 HydrophobicContact CD1-CD1 4.16Å; Y1082-L1086 HydrophobicContact CD2-CD1 4.47Å; Y1082-L1086 HydrophobicContact CE1-CD1 3.89Å; Y1082-L1086 HydrophobicContact CE2-CD1 4.23Å; Y1082-L1086 HydrophobicContact CE2-CD2 4.44Å; Y1082-L1086 HydrophobicContact CE2-CG 4.22Å; Y1082-L1086 HydrophobicContact CG-CD1 4.4Å; Y1082-L1086 WeakPolarHBondContact O-CG 3.5Å; Y1082-L1086 PolarHBondContact O-N 3.2Å; R1083-L1086 WeakPolarHBondContact O-CB 3.41Å; R1083-L1086 PolarHBondContact O-N 3Å; Q1084-L1086 VanDerWaalsContact C-N 3.31Å; Q1084-L1086 PolarHBondContact O-N 2.91Å; L1086-A1089 PolarHBondContact O-N 3.3Å; L1086-I1090 VanDerWaalsContact O-CG1 3.32Å; L1086-I1090 WeakPolarHBondContact O-CG1 3.1Å; L1086-I1090 PolarHBondContact O-N 3.14Å; L1086-V1110 HydrophobicContact CB-CG1 4.37Å; L1086-V1110 HydrophobicContact CD2-CB 4.21Å; L1086-V1110 HydrophobicContact CD2-CG1 3.72Å; L1086-E1111 HydrophobicContact CD2-CB 4.44Å; L1086-V1114 HydrophobicContact CD2-CG2 3.79Å; L1086-V1114 HydrophobicContact CG-CG2 4.3Å |
| 1087 | V | 93.4 | Very high | 88.3 | Confident | 6 Ų | 6 | 17 Ų | 17 | 4% | 0.036 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 170.6 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | V1026 F1030 L1074 R1083 Q1084 A1089 I1090 L1091 | V1026-V1087 HydrophobicContact CG1-CG1 4.09Å; V1026-V1087 HydrophobicContact CG1-CG2 4.32Å; F1030-V1087 HydrophobicContact CE2-CG1 4.08Å; F1030-V1087 HydrophobicContact CZ-CG1 4.27Å; L1074-V1087 HydrophobicContact CD1-CG2 3.98Å; L1074-V1087 HydrophobicContact CD2-CG2 4.27Å; R1083-V1087 WeakPolarHBondContact O-CG2 3.15Å; R1083-V1087 PolarHBondContact O-N 2.94Å; Q1084-V1087 PolarHBondContact O-N 2.99Å; V1087-A1089 VanDerWaalsContact C-N 3.35Å; V1087-A1089 PolarHBondContact O-N 3.32Å; V1087-I1090 PolarHBondContact O-N 3.28Å; V1087-L1091 VanDerWaalsContact O-CB 3.3Å; V1087-L1091 WeakPolarHBondContact O-CB 3.18Å; V1087-L1091 PolarHBondContact O-N 2.81Å |
| 1088 | E | 93.2 | Very high | 87.5 | Confident | 20 Ų | 20 | 21.9 Ų | 21.9 | 9% | 0.093 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 173.3 | -72.7 | 176.7 | -148.3 | 0 | 0 | 111.7 | R1017 Q1084 L1085 L1091 V1092 T1158 M1159 L1162 | R1017-E1088 IonicContact CZ-OE1 3.74Å; R1017-E1088 IonicContact NE-OE1 2.79Å; R1017-E1088 PolarHBondContact NE-OE1 2.98Å; R1017-E1088 IonicContact NE-OE2 3.46Å; R1017-E1088 IonicContact NH2-OE1 3.21Å; R1017-E1088 PolarHBondContact NH2-OE1 2.79Å; R1017-E1088 IonicContact NH2-OE2 3.97Å; R1017-E1088 PolarHBondContact NH2-OE2 3.12Å; Q1084-E1088 WeakPolarHBondContact O-CG 3.49Å; Q1084-E1088 PolarHBondContact O-N 2.94Å; L1085-E1088 PolarHBondContact O-N 3.4Å; E1088-L1091 WeakPolarHBondContact O-CB 3.26Å; E1088-L1091 PolarHBondContact O-N 3.42Å; E1088-V1092 PolarHBondContact O-N 2.83Å; E1088-T1158 WeakPolarHBondContact OE2-CB 3.32Å; E1088-T1158 PolarHBondContact OE2-OG1 3.37Å; E1088-M1159 HydrophobicContact CB-SD 3.93Å; E1088-M1159 HydrophobicContact CG-SD 4.25Å; E1088-L1162 HydrophobicContact CB-CD1 3.6Å |
| 1089 | A | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1085 L1086 V1087 L1091 V1092 L1093 V1110 I1113 V1114 L1162 | L1085-A1089 WeakPolarHBondContact O-CB 3.44Å; L1085-A1089 PolarHBondContact O-N 2.86Å; L1086-A1089 PolarHBondContact O-N 3.3Å; V1087-A1089 VanDerWaalsContact C-N 3.35Å; V1087-A1089 PolarHBondContact O-N 3.32Å; A1089-L1091 VanDerWaalsContact C-N 3.3Å; A1089-L1091 PolarHBondContact O-N 3.47Å; A1089-V1092 WeakPolarHBondContact O-CB 3.3Å; A1089-V1092 PolarHBondContact O-N 2.84Å; A1089-L1093 PolarHBondContact O-N 2.63Å; A1089-V1110 HydrophobicContact CB-CG1 3.7Å; A1089-I1113 HydrophobicContact CB-CG2 4.45Å; A1089-V1114 HydrophobicContact CB-CG2 3.73Å; A1089-L1162 HydrophobicContact CB-CD2 3.88Å |
| 1090 | I | 93.4 | Very high | 86.3 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 173.2 | -68.3 | 164.3 | 0 | 0 | 0 | 109.9 | F1030 V1034 L1044 L1074 L1086 V1087 V1092 L1093 T1094 V1110 | F1030-I1090 HydrophobicContact CE2-CB 4.02Å; F1030-I1090 HydrophobicContact CE2-CG2 3.6Å; F1030-I1090 HydrophobicContact CZ-CB 4.1Å; F1030-I1090 HydrophobicContact CZ-CD1 4.41Å; F1030-I1090 HydrophobicContact CZ-CG2 3.66Å; V1034-I1090 HydrophobicContact CG2-CG2 3.62Å; L1044-I1090 HydrophobicContact CD1-CG2 4.42Å; L1074-I1090 HydrophobicContact CD2-CD1 3.87Å; L1086-I1090 VanDerWaalsContact O-CG1 3.32Å; L1086-I1090 WeakPolarHBondContact O-CG1 3.1Å; L1086-I1090 PolarHBondContact O-N 3.14Å; V1087-I1090 PolarHBondContact O-N 3.28Å; I1090-V1092 VanDerWaalsContact C-N 3.31Å; I1090-V1092 PolarHBondContact O-N 3.48Å; I1090-L1093 CarbonylContact O-C 3.12Å; I1090-L1093 WeakPolarHBondContact O-CA 3.3Å; I1090-L1093 WeakPolarHBondContact O-CB 3.36Å; I1090-L1093 PolarHBondContact O-N 2.78Å; I1090-T1094 HydrophobicContact CG2-CG2 4.49Å; I1090-T1094 WeakPolarHBondContact O-CG2 3.5Å; I1090-T1094 PolarHBondContact O-N 3.2Å; I1090-V1110 HydrophobicContact CD1-CG1 4.35Å; I1090-V1110 HydrophobicContact CD1-CG2 4.39Å; I1090-V1110 HydrophobicContact CG1-CB 4.45Å; I1090-V1110 HydrophobicContact CG1-CG1 3.76Å; I1090-V1110 HydrophobicContact CG1-CG2 3.84Å |
| 1091 | L | 89.9 | Confident | 85.4 | Confident | 18 Ų | 18 | 27.3 Ų | 27.3 | 9% | 0.094 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 177.6 | -172.8 | 64.2 | 0 | 0 | 0 | 112.1 | I944 P1027 F1030 V1087 E1088 A1089 T1094 M1159 | I944-L1091 HydrophobicContact CD1-CD1 4.43Å; I944-L1091 HydrophobicContact CD1-CD2 3.45Å; I944-L1091 VanDerWaalsContact CD1-CD2 3.45Å; I944-L1091 HydrophobicContact CD1-CG 3.79Å; P1027-L1091 HydrophobicContact CB-CD1 4.41Å; P1027-L1091 HydrophobicContact CG-CD1 3.99Å; P1027-L1091 HydrophobicContact CG-CD2 3.75Å; P1027-L1091 HydrophobicContact CG-CG 4.48Å; F1030-L1091 HydrophobicContact CD2-CD1 4.45Å; V1087-L1091 VanDerWaalsContact O-CB 3.3Å; V1087-L1091 WeakPolarHBondContact O-CB 3.18Å; V1087-L1091 PolarHBondContact O-N 2.81Å; E1088-L1091 WeakPolarHBondContact O-CB 3.26Å; E1088-L1091 PolarHBondContact O-N 3.42Å; A1089-L1091 VanDerWaalsContact C-N 3.3Å; A1089-L1091 PolarHBondContact O-N 3.47Å; L1091-T1094 PolarHBondContact O-N 3.43Å; L1091-T1094 PolarHBondContact O-OG1 2.85Å; L1091-M1159 HydrophobicContact CD2-CE 4.42Å |
| 1092 | V | 89.8 | Confident | 84.3 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -49.5 | 169.1 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | E1088 A1089 I1090 T1094 M1095 M1159 L1162 A1166 | E1088-V1092 PolarHBondContact O-N 2.83Å; A1089-V1092 WeakPolarHBondContact O-CB 3.3Å; A1089-V1092 PolarHBondContact O-N 2.84Å; I1090-V1092 VanDerWaalsContact C-N 3.31Å; I1090-V1092 PolarHBondContact O-N 3.48Å; V1092-T1094 PolarHBondContact O-N 2.88Å; V1092-M1095 VanDerWaalsContact O-CB 3.3Å; V1092-M1095 WeakPolarHBondContact O-CB 3.47Å; V1092-M1095 PolarHBondContact O-N 3.22Å; V1092-M1159 HydrophobicContact CG2-CE 3.46Å; V1092-M1159 VanDerWaalsContact CG2-CE 3.46Å; V1092-M1159 HydrophobicContact CG2-SD 4.01Å; V1092-L1162 HydrophobicContact CG2-CB 3.97Å; V1092-A1166 HydrophobicContact CG1-CB 3.67Å |
| 1093 | L | 88.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -32.2 | 176.9 | -71.3 | 173.2 | 0 | 0 | 0 | 112.7 | L1044 A1089 I1090 M1095 L1096 I1108 V1110 I1113 A1166 V1170 | L1044-L1093 HydrophobicContact CD2-CD1 4.28Å; A1089-L1093 PolarHBondContact O-N 2.63Å; I1090-L1093 CarbonylContact O-C 3.12Å; I1090-L1093 WeakPolarHBondContact O-CA 3.3Å; I1090-L1093 WeakPolarHBondContact O-CB 3.36Å; I1090-L1093 PolarHBondContact O-N 2.78Å; L1093-M1095 PolarHBondContact O-N 2.87Å; L1093-M1095 VanDerWaalsContact O-N 3.15Å; L1093-L1096 HydrophobicContact CD2-CD1 4.03Å; L1093-L1096 VanDerWaalsContact O-CB 3.28Å; L1093-L1096 WeakPolarHBondContact O-CB 3.18Å; L1093-L1096 PolarHBondContact O-N 2.76Å; L1093-I1108 HydrophobicContact CD1-CG2 3.78Å; L1093-I1108 HydrophobicContact CD2-CG2 4.17Å; L1093-V1110 HydrophobicContact CD1-CG2 4.22Å; L1093-I1113 HydrophobicContact CD1-CD1 3.78Å; L1093-I1113 HydrophobicContact CD2-CD1 3.79Å; L1093-I1113 HydrophobicContact CG-CD1 3.97Å; L1093-A1166 HydrophobicContact CD2-CB 4.3Å; L1093-V1170 HydrophobicContact CD2-CG2 3.92Å |
| 1094 | T | 84.3 | Confident | 82.7 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -64.1 | -16.3 | 175.7 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | K1033 I1090 L1091 V1092 L1096 A1097 | K1033-T1094 HydrophobicContact CB-CG2 3.52Å; I1090-T1094 HydrophobicContact CG2-CG2 4.49Å; I1090-T1094 WeakPolarHBondContact O-CG2 3.5Å; I1090-T1094 PolarHBondContact O-N 3.2Å; L1091-T1094 PolarHBondContact O-N 3.43Å; L1091-T1094 PolarHBondContact O-OG1 2.85Å; V1092-T1094 PolarHBondContact O-N 2.88Å; T1094-L1096 PolarHBondContact O-N 3.02Å; T1094-A1097 WeakPolarHBondContact O-CB 3.42Å; T1094-A1097 PolarHBondContact O-N 2.93Å |
| 1095 | M | 80 | Confident | 81.7 | Confident | 47 Ų | 47 | 39.1 Ų | 39.1 | 23% | 0.232 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -65.9 | -26.1 | 171.4 | -62 | -178.1 | 60.4 | 0 | 0 | 112 | L947 I951 V1092 L1093 A1097 | L947-M1095 HydrophobicContact CD2-CE 4.21Å; L947-M1095 HydrophobicContact CD2-SD 4.26Å; I951-M1095 HydrophobicContact CD1-CE 3.94Å; V1092-M1095 VanDerWaalsContact O-CB 3.3Å; V1092-M1095 WeakPolarHBondContact O-CB 3.47Å; V1092-M1095 PolarHBondContact O-N 3.22Å; L1093-M1095 PolarHBondContact O-N 2.87Å; L1093-M1095 VanDerWaalsContact O-N 3.15Å; M1095-A1097 VanDerWaalsContact C-N 3.26Å; M1095-A1097 PolarHBondContact O-N 3.28Å |
| 1096 | L | 75.3 | Confident | 81.1 | Confident | 25 Ų | 25 | 39.7 Ų | 39.7 | 13% | 0.131 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -73.2 | -17.2 | 172.7 | -53.4 | 174.6 | 0 | 0 | 0 | 112.7 | I1037 K1040 L1093 T1094 D1098 I1099 I1104 V1170 M1181 | I1037-L1096 HydrophobicContact CD1-CB 3.95Å; K1040-L1096 PolarHBondContact NZ-O 2.77Å; K1040-L1096 VanDerWaalsContact NZ-O 3.16Å; L1093-L1096 HydrophobicContact CD2-CD1 4.03Å; L1093-L1096 VanDerWaalsContact O-CB 3.28Å; L1093-L1096 WeakPolarHBondContact O-CB 3.18Å; L1093-L1096 PolarHBondContact O-N 2.76Å; T1094-L1096 PolarHBondContact O-N 3.02Å; L1096-D1098 PolarHBondContact O-N 3.27Å; L1096-I1099 HydrophobicContact CD2-CD1 3.73Å; L1096-I1099 PolarHBondContact O-N 3.28Å; L1096-I1104 HydrophobicContact CD1-CD1 4.42Å; L1096-V1170 HydrophobicContact CD1-CB 4.4Å; L1096-V1170 HydrophobicContact CD1-CG1 3.99Å; L1096-V1170 HydrophobicContact CD1-CG2 3.98Å; L1096-M1181 HydrophobicContact CD2-CE 3.67Å |
| 1097 | A | 71.7 | Confident | 80.9 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -65.7 | -25.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1036 I1037 K1040 T1094 M1095 | K1036-A1097 HydrophobicContact CB-CB 3.9Å; I1037-A1097 HydrophobicContact CB-CB 4.42Å; K1040-A1097 VanDerWaalsContact NZ-C 3.31Å; K1040-A1097 PolarHBondContact NZ-O 3.25Å; T1094-A1097 WeakPolarHBondContact O-CB 3.42Å; T1094-A1097 PolarHBondContact O-N 2.93Å; M1095-A1097 VanDerWaalsContact C-N 3.26Å; M1095-A1097 PolarHBondContact O-N 3.28Å |
| 1098 | D | 71.3 | Confident | 80.8 | Confident | 101 Ų | 101 | 43.2 Ų | 43.2 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -85 | -9.2 | 177.6 | -71.9 | -6.9 | 0 | 0 | 0 | 113.7 | K948 L1096 | K948-D1098 IonicContact NZ-OD2 2.74Å; K948-D1098 PolarHBondContact NZ-OD2 3.37Å; L1096-D1098 PolarHBondContact O-N 3.27Å |
| 1099 | I | 75.3 | Confident | 80.8 | Confident | 63 Ų | 63 | 42.6 Ų | 42.6 | 32% | 0.323 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -90.7 | 137.4 | -175.9 | -48.5 | 178.9 | 0 | 0 | 0 | 111.1 | K1040 L1096 I1101 M1181 | K1040-I1099 PolarHBondContact NZ-O 2.82Å; L1096-I1099 HydrophobicContact CD2-CD1 3.73Å; L1096-I1099 PolarHBondContact O-N 3.28Å; I1099-I1101 HydrophobicContact CB-CD1 3.94Å; I1099-I1101 HydrophobicContact CB-CG1 4.17Å; I1099-I1101 HydrophobicContact CG2-CD1 3.88Å; I1099-I1101 HydrophobicContact CG2-CG1 3.8Å; I1099-I1101 PolarHBondContact O-N 2.85Å; I1099-M1181 HydrophobicContact CD1-CE 4.49Å; I1099-M1181 HydrophobicContact CD1-CG 4.37Å; I1099-M1181 HydrophobicContact CG2-CG 4.38Å |
| 1100 | E | 66.9 | Low | 80.9 | Confident | 196 Ų | 196 | 42.6 Ų | 42.6 | 92% | 0.916 | 23% | 0.23 | S | C | * | . | trans | -71.5 | 82.9 | 177 | -66.6 | -174.7 | 174.5 | 0 | 0 | 112.4 | ||||
| 1101 | I | 70 | Confident | 80.9 | Confident | 16 Ų | 16 | 43.6 Ų | 43.6 | 8% | 0.082 | 23% | 0.234 | C | C | . | . | trans | -129.1 | 128.3 | 177.1 | -49.5 | 159.8 | 0 | 0 | 0 | 107.6 | I1099 L1174 L1178 M1181 | I1099-I1101 HydrophobicContact CB-CD1 3.94Å; I1099-I1101 HydrophobicContact CB-CG1 4.17Å; I1099-I1101 HydrophobicContact CG2-CD1 3.88Å; I1099-I1101 HydrophobicContact CG2-CG1 3.8Å; I1099-I1101 PolarHBondContact O-N 2.85Å; I1101-L1174 HydrophobicContact CG2-CD2 4.39Å; I1101-L1178 HydrophobicContact CG2-CD1 4.19Å; I1101-M1181 HydrophobicContact CD1-CG 4.43Å; I1101-M1181 HydrophobicContact CD1-SD 3.33Å; I1101-M1181 WeakPolarHBondContact CD1-SD 3.29Å; I1101-M1181 HydrophobicContact CG1-SD 4.22Å | ||
| 1102 | H | 66.6 | Low | 81.1 | Confident | 197 Ų | 197 | 48.1 Ų | 48.1 | 91% | 0.912 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -69.7 | -37.7 | -179.6 | -64.6 | -49.1 | 0 | 0 | 0 | 113.4 | ||
| 1103 | S | 74.9 | Confident | 81.3 | Confident | 56 Ų | 56 | 47.7 Ų | 47.7 | 39% | 0.392 | 25% | 0.25 | S | S | . | . | trans | -163.8 | 147.3 | 173.3 | -170.4 | 0 | 0 | 0 | 0 | 112 | K1040 G1105 | K1040-S1103 CarbonylContact O-C 3.6Å; K1040-S1103 WeakPolarHBondContact O-CA 3.27Å; K1040-S1103 PolarHBondContact O-OG 2.74Å; S1103-G1105 WeakPolarHBondContact OG-CA 3.44Å; S1103-G1105 PolarHBondContact OG-N 2.83Å | ||
| 1104 | I | 77.5 | Confident | 81.7 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | trans | -90.5 | -18 | 166.9 | -56.3 | 170.2 | 0 | 0 | 0 | 109.9 | I1037 K1040 C1041 L1096 S1106 I1108 V1170 F1173 | I1037-I1104 HydrophobicContact CD1-CD1 3.8Å; K1040-I1104 HydrophobicContact CB-CD1 4.39Å; K1040-I1104 HydrophobicContact CB-CG1 4.5Å; K1040-I1104 WeakPolarHBondContact O-CB 3.39Å; K1040-I1104 PolarHBondContact O-N 2.75Å; C1041-I1104 HydrophobicContact CB-CB 4.46Å; L1096-I1104 HydrophobicContact CD1-CD1 4.42Å; I1104-S1106 VanDerWaalsContact C-N 3.26Å; I1104-S1106 PolarHBondContact O-N 3.46Å; I1104-I1108 HydrophobicContact CD1-CD1 4.16Å; I1104-I1108 HydrophobicContact CG2-CD1 4.21Å; I1104-V1170 HydrophobicContact CG2-CG1 4.27Å; I1104-F1173 HydrophobicContact CG2-CB 4.09Å | ||
| 1105 | G | 70.4 | Confident | 82.2 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | trans | 68.4 | 6.3 | 164 | 0 | 0 | 0 | 0 | 0 | 117.9 | H1042 S1103 | H1042-G1105 PolarHBondContact CE1-O 2.99Å; H1042-G1105 PolarHBondContact ND1-O 3.04Å; S1103-G1105 WeakPolarHBondContact OG-CA 3.44Å; S1103-G1105 PolarHBondContact OG-N 2.83Å | ||
| 1106 | S | 82.8 | Confident | 83 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -136.1 | 170.4 | -178 | 71.5 | 0 | 0 | 0 | 0 | 112.9 | C1041 H1042 I1104 F1173 | C1041-S1106 WeakPolarHBondContact CB-O 3.28Å; H1042-S1106 PolarHBondContact N-O 2.96Å; I1104-S1106 VanDerWaalsContact C-N 3.26Å; I1104-S1106 PolarHBondContact O-N 3.46Å; S1106-F1173 WeakPolarHBondContact OG-CD1 3.02Å; S1106-F1173 WeakPolarHBondContact OG-CG 3.3Å |
| 1107 | I | 90.2 | Very high | 84 | Confident | 80 Ų | 80 | 50 Ų | 50 | 41% | 0.41 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.9 | 164.3 | -63.2 | 170.8 | 0 | 0 | 0 | 106.8 | H1042 G1043 V1050 | H1042-I1107 HydrophobicContact CB-CG1 3.95Å; G1043-I1107 WeakPolarHBondContact O-CA 3.23Å; V1050-I1107 HydrophobicContact CG1-CD1 4.19Å; V1050-I1107 HydrophobicContact CG1-CG1 4.47Å; V1050-I1107 HydrophobicContact CG1-CG2 4.12Å; V1050-I1107 HydrophobicContact CG2-CD1 4.28Å; V1050-I1107 HydrophobicContact CG2-CG2 4.17Å |
| 1108 | I | 91.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 113.3 | -179.4 | -53 | 175.5 | 0 | 0 | 0 | 108.1 | C1041 G1043 L1044 S1045 L1093 I1104 V1110 I1113 Y1169 | C1041-I1108 HydrophobicContact CB-CD1 3.99Å; C1041-I1108 HydrophobicContact CB-CG1 4.19Å; G1043-I1108 PolarHBondContact O-N 2.71Å; L1044-I1108 WeakPolarHBondContact CA-O 3.37Å; L1044-I1108 HydrophobicContact CD2-CB 3.98Å; L1044-I1108 HydrophobicContact CD2-CD1 4.27Å; L1044-I1108 HydrophobicContact CD2-CG1 4.5Å; S1045-I1108 PolarHBondContact N-O 2.82Å; L1093-I1108 HydrophobicContact CD1-CG2 3.78Å; L1093-I1108 HydrophobicContact CD2-CG2 4.17Å; I1104-I1108 HydrophobicContact CD1-CD1 4.16Å; I1104-I1108 HydrophobicContact CG2-CD1 4.21Å; I1108-V1110 PolarHBondContact O-N 3.29Å; I1108-I1113 HydrophobicContact CG2-CD1 3.94Å; I1108-Y1169 HydrophobicContact CG2-CD1 4.3Å; I1108-Y1169 HydrophobicContact CG2-CE1 3.98Å |
| 1109 | A | 93.4 | Very high | 86.2 | Confident | 7 Ų | 7 | 48 Ų | 48 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 105.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E1111 K1112 I1113 Y1169 | A1109-E1111 VanDerWaalsContact C-N 3.35Å; A1109-E1111 WeakPolarHBondContact CB-OE1 3.35Å; A1109-K1112 HydrophobicContact CB-CB 4.08Å; A1109-K1112 HydrophobicContact CB-CD 3.8Å; A1109-K1112 HydrophobicContact CB-CG 3.75Å; A1109-K1112 PolarHBondContact O-N 3.44Å; A1109-I1113 PolarHBondContact O-N 3.06Å; A1109-Y1169 HydrophobicContact CB-CE1 4.48Å |
| 1110 | V | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.7 | -38.4 | -176.9 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | L1044 S1045 V1046 L1086 A1089 I1090 L1093 I1108 K1112 I1113 V1114 | L1044-V1110 HydrophobicContact CB-CG2 4.32Å; S1045-V1110 WeakPolarHBondContact O-CB 3.33Å; S1045-V1110 VanDerWaalsContact O-CG2 3.28Å; S1045-V1110 WeakPolarHBondContact O-CG2 3.49Å; S1045-V1110 PolarHBondContact O-N 3.29Å; V1046-V1110 HydrophobicContact CG2-CB 4.37Å; V1046-V1110 HydrophobicContact CG2-CG2 4.36Å; L1086-V1110 HydrophobicContact CB-CG1 4.37Å; L1086-V1110 HydrophobicContact CD2-CB 4.21Å; L1086-V1110 HydrophobicContact CD2-CG1 3.72Å; A1089-V1110 HydrophobicContact CB-CG1 3.7Å; I1090-V1110 HydrophobicContact CD1-CG1 4.35Å; I1090-V1110 HydrophobicContact CD1-CG2 4.39Å; I1090-V1110 HydrophobicContact CG1-CB 4.45Å; I1090-V1110 HydrophobicContact CG1-CG1 3.76Å; I1090-V1110 HydrophobicContact CG1-CG2 3.84Å; L1093-V1110 HydrophobicContact CD1-CG2 4.22Å; I1108-V1110 PolarHBondContact O-N 3.29Å; V1110-K1112 VanDerWaalsContact C-N 3.26Å; V1110-K1112 PolarHBondContact O-N 2.81Å; V1110-I1113 WeakPolarHBondContact O-CB 3.39Å; V1110-I1113 PolarHBondContact O-N 2.97Å; V1110-I1113 VanDerWaalsContact O-N 3.08Å; V1110-V1114 PolarHBondContact O-N 3.01Å; V1110-V1114 VanDerWaalsContact O-N 3.16Å |
| 1111 | E | 94.4 | Very high | 88.4 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.5 | -41.9 | 173.6 | 61.2 | -79.6 | -176.2 | 0 | 0 | 112.1 | S1045 V1046 E1047 L1086 A1109 I1113 V1114 H1115 | S1045-E1111 VanDerWaalsContact C-OE2 3.24Å; S1045-E1111 PolarHBondContact OG-OE1 3.07Å; V1046-E1111 VanDerWaalsContact CA-OE2 3.3Å; V1046-E1111 WeakPolarHBondContact CA-OE2 3.44Å; V1046-E1111 PolarHBondContact N-OE2 2.86Å; E1047-E1111 PolarHBondContact N-OE2 2.79Å; E1047-E1111 WeakPolarHBondContact OE1-CB 3.21Å; L1086-E1111 HydrophobicContact CD2-CB 4.44Å; A1109-E1111 VanDerWaalsContact C-N 3.35Å; A1109-E1111 WeakPolarHBondContact CB-OE1 3.35Å; E1111-I1113 VanDerWaalsContact C-N 3.35Å; E1111-I1113 PolarHBondContact O-N 2.78Å; E1111-V1114 PolarHBondContact O-N 3.15Å; E1111-H1115 PolarHBondContact O-CD2 3.02Å; E1111-H1115 PolarHBondContact O-N 3.02Å |
| 1112 | K | 93.5 | Very high | 89.5 | Confident | 113 Ų | 113 | 38.4 Ų | 38.4 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.8 | -36.7 | 178.5 | -66.2 | -172.2 | -174.6 | 177.6 | 0 | 112.4 | A1109 V1110 V1114 H1115 I1116 Y1169 | A1109-K1112 HydrophobicContact CB-CB 4.08Å; A1109-K1112 HydrophobicContact CB-CD 3.8Å; A1109-K1112 HydrophobicContact CB-CG 3.75Å; A1109-K1112 PolarHBondContact O-N 3.44Å; V1110-K1112 VanDerWaalsContact C-N 3.26Å; V1110-K1112 PolarHBondContact O-N 2.81Å; K1112-V1114 VanDerWaalsContact C-N 3.35Å; K1112-H1115 PolarHBondContact O-N 3.19Å; K1112-I1116 WeakPolarHBondContact O-CB 3.4Å; K1112-I1116 WeakPolarHBondContact O-CD1 3.33Å; K1112-I1116 WeakPolarHBondContact O-CG1 3.47Å; K1112-I1116 PolarHBondContact O-N 2.92Å; K1112-Y1169 HydrophobicContact CD-CE2 4.32Å |
| 1113 | I | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 176 | -62.3 | 171.6 | 0 | 0 | 0 | 110.1 | A1089 L1093 I1108 A1109 V1110 E1111 I1116 A1117 L1162 A1165 A1166 Y1169 | A1089-I1113 HydrophobicContact CB-CG2 4.45Å; L1093-I1113 HydrophobicContact CD1-CD1 3.78Å; L1093-I1113 HydrophobicContact CD2-CD1 3.79Å; L1093-I1113 HydrophobicContact CG-CD1 3.97Å; I1108-I1113 HydrophobicContact CG2-CD1 3.94Å; A1109-I1113 PolarHBondContact O-N 3.06Å; V1110-I1113 WeakPolarHBondContact O-CB 3.39Å; V1110-I1113 PolarHBondContact O-N 2.97Å; V1110-I1113 VanDerWaalsContact O-N 3.08Å; E1111-I1113 VanDerWaalsContact C-N 3.35Å; E1111-I1113 PolarHBondContact O-N 2.78Å; I1113-I1116 PolarHBondContact O-N 3.39Å; I1113-A1117 VanDerWaalsContact O-CB 3.29Å; I1113-A1117 WeakPolarHBondContact O-CB 3.49Å; I1113-A1117 PolarHBondContact O-N 3.22Å; I1113-L1162 HydrophobicContact CG2-CD2 4.36Å; I1113-A1165 HydrophobicContact CG2-CB 3.92Å; I1113-A1165 WeakPolarHBondContact O-CB 3.34Å; I1113-A1166 HydrophobicContact CD1-CB 4.37Å; I1113-A1166 HydrophobicContact CG2-CB 4.06Å; I1113-Y1169 HydrophobicContact CD1-CD1 3.94Å; I1113-Y1169 HydrophobicContact CG1-CD1 3.53Å; I1113-Y1169 HydrophobicContact CG1-CE1 4.22Å; I1113-Y1169 HydrophobicContact CG1-CG 4.23Å |
| 1114 | V | 96 | Very high | 91.5 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 177.2 | -178 | 0 | 0 | 0 | 0 | 111.2 | Y1082 L1085 L1086 A1089 V1110 E1111 K1112 A1117 N1118 I1143 L1162 | Y1082-V1114 HydrophobicContact CD2-CG1 4.46Å; Y1082-V1114 HydrophobicContact CE2-CB 4.44Å; Y1082-V1114 HydrophobicContact CE2-CG1 3.95Å; L1085-V1114 HydrophobicContact CB-CG1 4.1Å; L1085-V1114 HydrophobicContact CD1-CG1 4.17Å; L1086-V1114 HydrophobicContact CD2-CG2 3.79Å; L1086-V1114 HydrophobicContact CG-CG2 4.3Å; A1089-V1114 HydrophobicContact CB-CG2 3.73Å; V1110-V1114 PolarHBondContact O-N 3.01Å; V1110-V1114 VanDerWaalsContact O-N 3.16Å; E1111-V1114 PolarHBondContact O-N 3.15Å; K1112-V1114 VanDerWaalsContact C-N 3.35Å; V1114-A1117 PolarHBondContact O-N 2.83Å; V1114-N1118 WeakPolarHBondContact O-CB 3.45Å; V1114-N1118 PolarHBondContact O-N 3.11Å; V1114-I1143 HydrophobicContact CG1-CD1 3.91Å; V1114-I1143 HydrophobicContact CG1-CG1 4.45Å; V1114-L1162 HydrophobicContact CG2-CD2 4.05Å |
| 1115 | H | 95.8 | Very high | 92.1 | Very high | 70 Ų | 70 | 35.4 Ų | 35.4 | 32% | 0.324 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.7 | -44.5 | 175.1 | -72.7 | -61.6 | 0 | 0 | 0 | 113.3 | E1111 K1112 A1117 N1118 D1119 S1141 | E1111-H1115 PolarHBondContact O-CD2 3.02Å; E1111-H1115 PolarHBondContact O-N 3.02Å; K1112-H1115 PolarHBondContact O-N 3.19Å; H1115-A1117 VanDerWaalsContact C-N 3.33Å; H1115-A1117 PolarHBondContact O-N 3.41Å; H1115-N1118 WeakPolarHBondContact O-CB 3.25Å; H1115-N1118 PolarHBondContact O-N 3.2Å; H1115-D1119 PolarHBondContact O-N 3.32Å; H1115-S1141 PolarHBondContact CE1-O 3.19Å; H1115-S1141 VanDerWaalsContact CE1-O 3.3Å |
| 1116 | I | 95.6 | Very high | 93.1 | Very high | 56 Ų | 56 | 38.8 Ų | 38.8 | 29% | 0.287 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 175.6 | -67.1 | 162.3 | 0 | 0 | 0 | 110.3 | K1112 I1113 N1118 D1119 L1120 A1165 Y1169 | K1112-I1116 WeakPolarHBondContact O-CB 3.4Å; K1112-I1116 WeakPolarHBondContact O-CD1 3.33Å; K1112-I1116 WeakPolarHBondContact O-CG1 3.47Å; K1112-I1116 PolarHBondContact O-N 2.92Å; I1113-I1116 PolarHBondContact O-N 3.39Å; I1116-N1118 VanDerWaalsContact C-N 3.33Å; I1116-N1118 PolarHBondContact O-N 2.71Å; I1116-D1119 PolarHBondContact O-N 3.33Å; I1116-L1120 HydrophobicContact CG2-CD1 4.12Å; I1116-L1120 HydrophobicContact CG2-CG 4.45Å; I1116-L1120 WeakPolarHBondContact O-CB 3.49Å; I1116-L1120 VanDerWaalsContact O-CG 3.29Å; I1116-L1120 WeakPolarHBondContact O-CG 3.43Å; I1116-L1120 PolarHBondContact O-N 3.27Å; I1116-A1165 HydrophobicContact CB-CB 3.91Å; I1116-A1165 HydrophobicContact CG2-CB 3.66Å; I1116-Y1169 HydrophobicContact CD1-CD2 4.28Å; I1116-Y1169 HydrophobicContact CD1-CG 4.45Å |
| 1117 | A | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1113 V1114 H1115 F1121 L1162 A1165 | I1113-A1117 VanDerWaalsContact O-CB 3.29Å; I1113-A1117 WeakPolarHBondContact O-CB 3.49Å; I1113-A1117 PolarHBondContact O-N 3.22Å; V1114-A1117 PolarHBondContact O-N 2.83Å; H1115-A1117 VanDerWaalsContact C-N 3.33Å; H1115-A1117 PolarHBondContact O-N 3.41Å; A1117-F1121 WeakPolarHBondContact O-CB 3.48Å; A1117-F1121 PolarHBondContact O-N 3.46Å; A1117-L1162 HydrophobicContact CB-CD2 3.75Å; A1117-L1162 HydrophobicContact CB-CG 4.22Å; A1117-A1165 HydrophobicContact CB-CB 3.84Å |
| 1118 | N | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 174.8 | 171.1 | 83.9 | 0 | 0 | 0 | 112.6 | V1114 H1115 I1116 F1121 L1122 I1143 C1144 L1147 | V1114-N1118 WeakPolarHBondContact O-CB 3.45Å; V1114-N1118 PolarHBondContact O-N 3.11Å; H1115-N1118 WeakPolarHBondContact O-CB 3.25Å; H1115-N1118 PolarHBondContact O-N 3.2Å; I1116-N1118 VanDerWaalsContact C-N 3.33Å; I1116-N1118 PolarHBondContact O-N 2.71Å; N1118-F1121 WeakPolarHBondContact O-CB 3.4Å; N1118-F1121 PolarHBondContact O-N 3.22Å; N1118-L1122 VanDerWaalsContact ND2-CD1 3.34Å; N1118-L1122 WeakPolarHBondContact ND2-CD1 3.46Å; N1118-L1122 WeakPolarHBondContact O-CB 3.03Å; N1118-L1122 VanDerWaalsContact O-CG 3.25Å; N1118-L1122 WeakPolarHBondContact O-CG 3.38Å; N1118-L1122 PolarHBondContact O-N 2.91Å; N1118-I1143 HydrophobicContact CB-CD1 3.88Å; N1118-C1144 WeakPolarHBondContact OD1-CB 3.23Å; N1118-C1144 PolarHBondContact OD1-N 3.02Å; N1118-L1147 HydrophobicContact CB-CD2 3.84Å |
| 1119 | D | 95 | Very high | 93.1 | Very high | 71 Ų | 71 | 48 Ų | 48 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.5 | -36.4 | 179.1 | -70.1 | -16 | 0 | 0 | 0 | 111.9 | H1115 I1116 L1122 Q1123 K1137 | H1115-D1119 PolarHBondContact O-N 3.32Å; I1116-D1119 PolarHBondContact O-N 3.33Å; D1119-L1122 PolarHBondContact O-N 2.81Å; D1119-Q1123 WeakPolarHBondContact O-CB 3.43Å; D1119-Q1123 VanDerWaalsContact O-CG 3.24Å; D1119-Q1123 WeakPolarHBondContact O-CG 3.46Å; D1119-Q1123 PolarHBondContact O-N 2.76Å; D1119-K1137 IonicContact OD1-NZ 3.73Å |
| 1120 | L | 93.9 | Very high | 92.8 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 28% | 0.283 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 169.8 | -71 | 172.1 | 0 | 0 | 0 | 112 | I1116 Q1123 E1124 Y1161 K1164 | I1116-L1120 HydrophobicContact CG2-CD1 4.12Å; I1116-L1120 HydrophobicContact CG2-CG 4.45Å; I1116-L1120 WeakPolarHBondContact O-CB 3.49Å; I1116-L1120 VanDerWaalsContact O-CG 3.29Å; I1116-L1120 WeakPolarHBondContact O-CG 3.43Å; I1116-L1120 PolarHBondContact O-N 3.27Å; L1120-Q1123 PolarHBondContact O-N 3.17Å; L1120-E1124 PolarHBondContact O-N 3.37Å; L1120-E1124 VanDerWaalsContact O-N 3.09Å; L1120-Y1161 HydrophobicContact CB-CD1 3.93Å; L1120-K1164 HydrophobicContact CD1-CB 4Å |
| 1121 | F | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 175 | 176.3 | -93.4 | 0 | 0 | 0 | 111.3 | A1117 N1118 Q1123 E1124 Q1125 L1146 L1147 S1150 Y1161 | A1117-F1121 WeakPolarHBondContact O-CB 3.48Å; A1117-F1121 PolarHBondContact O-N 3.46Å; N1118-F1121 WeakPolarHBondContact O-CB 3.4Å; N1118-F1121 PolarHBondContact O-N 3.22Å; F1121-Q1123 VanDerWaalsContact C-N 3.32Å; F1121-Q1123 PolarHBondContact O-N 2.86Å; F1121-E1124 PolarHBondContact O-N 2.83Å; F1121-Q1125 HydrophobicContact CD1-CG 3.94Å; F1121-Q1125 HydrophobicContact CD2-CG 4.29Å; F1121-Q1125 HydrophobicContact CE1-CG 3.6Å; F1121-Q1125 HydrophobicContact CE2-CG 4Å; F1121-Q1125 HydrophobicContact CG-CG 4.28Å; F1121-Q1125 HydrophobicContact CZ-CG 3.64Å; F1121-Q1125 WeakPolarHBondContact O-CG 3.49Å; F1121-Q1125 PolarHBondContact O-N 3.33Å; F1121-L1146 HydrophobicContact CE1-CB 4.17Å; F1121-L1146 HydrophobicContact CE1-CD2 4.29Å; F1121-L1146 HydrophobicContact CE1-CG 4.35Å; F1121-L1146 HydrophobicContact CZ-CB 4.27Å; F1121-L1146 HydrophobicContact CZ-CD2 4.06Å; F1121-L1146 HydrophobicContact CZ-CG 4.02Å; F1121-L1147 HydrophobicContact CB-CD1 4.02Å; F1121-L1147 HydrophobicContact CD1-CB 4.1Å; F1121-L1147 HydrophobicContact CD1-CD1 4.15Å; F1121-L1147 HydrophobicContact CD2-CD1 3.63Å; F1121-L1147 HydrophobicContact CE1-CB 4.1Å; F1121-L1147 HydrophobicContact CE2-CD1 4.05Å; F1121-L1147 HydrophobicContact CG-CD1 3.68Å; F1121-L1147 HydrophobicContact CZ-CB 4.48Å; F1121-L1147 HydrophobicContact CZ-CD1 4.48Å; F1121-S1150 WeakPolarHBondContact CE2-OG 3.22Å; F1121-Y1161 HydrophobicContact CB-CD1 4.17Å; F1121-Y1161 HydrophobicContact CB-CD2 4.31Å; F1121-Y1161 HydrophobicContact CB-CE1 4.25Å; F1121-Y1161 HydrophobicContact CB-CE2 4.39Å; F1121-Y1161 HydrophobicContact CB-CG 4.21Å; F1121-Y1161 AromaticContact CD2-CD2 3.96Å; F1121-Y1161 HydrophobicContact CD2-CD2 3.96Å; F1121-Y1161 AromaticContact CD2-CE2 3.55Å; F1121-Y1161 HydrophobicContact CD2-CE2 3.55Å; F1121-Y1161 AromaticContact CD2-CZ 3.94Å; F1121-Y1161 HydrophobicContact CE2-CE2 4.38Å; F1121-Y1161 HydrophobicContact CG-CE2 4.46Å |
| 1122 | L | 92.3 | Very high | 91.8 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 9% | 0.094 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 177.9 | -74.1 | 168.5 | 0 | 0 | 0 | 112.1 | N1118 D1119 K1126 L1135 K1137 C1144 | N1118-L1122 VanDerWaalsContact ND2-CD1 3.34Å; N1118-L1122 WeakPolarHBondContact ND2-CD1 3.46Å; N1118-L1122 WeakPolarHBondContact O-CB 3.03Å; N1118-L1122 VanDerWaalsContact O-CG 3.25Å; N1118-L1122 WeakPolarHBondContact O-CG 3.38Å; N1118-L1122 PolarHBondContact O-N 2.91Å; D1119-L1122 PolarHBondContact O-N 2.81Å; L1122-K1126 WeakPolarHBondContact O-CB 3.39Å; L1122-K1126 VanDerWaalsContact O-CG 3.32Å; L1122-K1126 WeakPolarHBondContact O-CG 3.33Å; L1122-K1126 PolarHBondContact O-N 2.94Å; L1122-L1135 HydrophobicContact CD2-CB 3.8Å; L1122-L1135 HydrophobicContact CD2-CD1 4.1Å; L1122-L1135 HydrophobicContact CD2-CD2 4.08Å; L1122-L1135 HydrophobicContact CD2-CG 4.2Å; L1122-K1137 VanDerWaalsContact CD1-CE 3.42Å; L1122-C1144 HydrophobicContact CD2-CB 3.93Å; L1122-C1144 HydrophobicContact CG-CB 4.38Å |
| 1123 | Q | 91.8 | Very high | 91.2 | Very high | 124 Ų | 124 | 58.4 Ų | 58.4 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 176 | -71.8 | 170.4 | 23.2 | 0 | 0 | 111.8 | D1119 L1120 F1121 T1127 | D1119-Q1123 WeakPolarHBondContact O-CB 3.43Å; D1119-Q1123 VanDerWaalsContact O-CG 3.24Å; D1119-Q1123 WeakPolarHBondContact O-CG 3.46Å; D1119-Q1123 PolarHBondContact O-N 2.76Å; L1120-Q1123 PolarHBondContact O-N 3.17Å; F1121-Q1123 VanDerWaalsContact C-N 3.32Å; F1121-Q1123 PolarHBondContact O-N 2.86Å; Q1123-T1127 WeakPolarHBondContact O-CB 3.36Å; Q1123-T1127 PolarHBondContact O-N 3.49Å; Q1123-T1127 PolarHBondContact O-OG1 2.85Å |
| 1124 | E | 91.7 | Very high | 90.5 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 19% | 0.192 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 178.8 | -166.3 | 165.2 | -173.8 | 0 | 0 | 111.4 | L1120 F1121 T1127 L1128 R1155 F1156 Y1161 K1164 | L1120-E1124 PolarHBondContact O-N 3.37Å; L1120-E1124 VanDerWaalsContact O-N 3.09Å; F1121-E1124 PolarHBondContact O-N 2.83Å; E1124-T1127 WeakPolarHBondContact O-CB 3.32Å; E1124-T1127 PolarHBondContact O-N 3.09Å; E1124-L1128 HydrophobicContact CG-CD1 4.31Å; E1124-L1128 VanDerWaalsContact O-CG 3.31Å; E1124-L1128 WeakPolarHBondContact O-CG 3.49Å; E1124-L1128 PolarHBondContact O-N 2.87Å; E1124-R1155 IonicContact OE1-NE 3.54Å; E1124-R1155 IonicContact OE1-NH2 2.79Å; E1124-F1156 HydrophobicContact CG-CE1 4.22Å; E1124-F1156 WeakPolarHBondContact OE1-CE1 3.47Å; E1124-Y1161 HydrophobicContact CB-CE1 4.49Å; E1124-Y1161 VanDerWaalsContact CD-OH 3.3Å; E1124-Y1161 VanDerWaalsContact OE2-CE1 3.31Å; E1124-Y1161 WeakPolarHBondContact OE2-CE1 2.99Å; E1124-Y1161 PolarHBondContact OE2-OH 2.84Å; E1124-K1164 IonicContact OE2-NZ 3.18Å |
| 1125 | Q | 91.1 | Very high | 89.9 | Confident | 29 Ų | 29 | 64.2 Ų | 64.2 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 176.9 | -64.9 | -56 | -31.6 | 0 | 0 | 113 | F1121 T1127 L1128 G1129 A1130 L1135 | F1121-Q1125 HydrophobicContact CD1-CG 3.94Å; F1121-Q1125 HydrophobicContact CD2-CG 4.29Å; F1121-Q1125 HydrophobicContact CE1-CG 3.6Å; F1121-Q1125 HydrophobicContact CE2-CG 4Å; F1121-Q1125 HydrophobicContact CG-CG 4.28Å; F1121-Q1125 HydrophobicContact CZ-CG 3.64Å; F1121-Q1125 WeakPolarHBondContact O-CG 3.49Å; F1121-Q1125 PolarHBondContact O-N 3.33Å; Q1125-T1127 VanDerWaalsContact C-N 3.29Å; Q1125-T1127 PolarHBondContact O-N 3.24Å; Q1125-L1128 CarbonylContact O-C 3.27Å; Q1125-L1128 PolarHBondContact O-N 3.48Å; Q1125-L1128 VanDerWaalsContact O-N 3.1Å; Q1125-G1129 PolarHBondContact O-N 3.23Å; Q1125-G1129 VanDerWaalsContact O-N 3.15Å; Q1125-A1130 HydrophobicContact CB-CB 4.05Å; Q1125-A1130 WeakPolarHBondContact O-CB 3.46Å; Q1125-A1130 PolarHBondContact O-N 3.27Å; Q1125-L1135 HydrophobicContact CB-CD1 4.29Å; Q1125-L1135 HydrophobicContact CB-CD2 3.75Å; Q1125-L1135 HydrophobicContact CG-CD2 4.26Å |
| 1126 | K | 90.1 | Very high | 89.5 | Confident | 108 Ų | 108 | 62.9 Ų | 62.9 | 47% | 0.47 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 171.8 | -73.9 | -170.6 | 174.9 | -151.7 | 0 | 112 | L1122 L1128 G1129 D1132 L1135 | L1122-K1126 WeakPolarHBondContact O-CB 3.39Å; L1122-K1126 VanDerWaalsContact O-CG 3.32Å; L1122-K1126 WeakPolarHBondContact O-CG 3.33Å; L1122-K1126 PolarHBondContact O-N 2.94Å; K1126-L1128 PolarHBondContact O-N 3.49Å; K1126-G1129 PolarHBondContact O-N 3.03Å; K1126-G1129 VanDerWaalsContact O-N 3.14Å; K1126-D1132 WeakPolarHBondContact CE-OD1 3.27Å; K1126-D1132 IonicContact NZ-OD1 2.73Å; K1126-D1132 PolarHBondContact NZ-OD1 3.12Å; K1126-L1135 HydrophobicContact CD-CD1 4.19Å; K1126-L1135 HydrophobicContact CG-CD1 3.38Å |
| 1127 | T | 90.6 | Very high | 89.2 | Confident | 123 Ų | 123 | 65.3 Ų | 65.3 | 76% | 0.755 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.3 | -28.1 | 174.5 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | Q1123 E1124 Q1125 | Q1123-T1127 WeakPolarHBondContact O-CB 3.36Å; Q1123-T1127 PolarHBondContact O-N 3.49Å; Q1123-T1127 PolarHBondContact O-OG1 2.85Å; E1124-T1127 WeakPolarHBondContact O-CB 3.32Å; E1124-T1127 PolarHBondContact O-N 3.09Å; Q1125-T1127 VanDerWaalsContact C-N 3.29Å; Q1125-T1127 PolarHBondContact O-N 3.24Å |
| 1128 | L | 88.3 | Confident | 88.7 | Confident | 99 Ų | 99 | 67.2 Ų | 67.2 | 52% | 0.518 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -0.9 | 175.4 | -65 | 168.4 | 0 | 0 | 0 | 113.9 | E1124 Q1125 K1126 F1156 | E1124-L1128 HydrophobicContact CG-CD1 4.31Å; E1124-L1128 VanDerWaalsContact O-CG 3.31Å; E1124-L1128 WeakPolarHBondContact O-CG 3.49Å; E1124-L1128 PolarHBondContact O-N 2.87Å; Q1125-L1128 CarbonylContact O-C 3.27Å; Q1125-L1128 PolarHBondContact O-N 3.48Å; Q1125-L1128 VanDerWaalsContact O-N 3.1Å; K1126-L1128 PolarHBondContact O-N 3.49Å; L1128-F1156 HydrophobicContact CD1-CD1 4.36Å; L1128-F1156 HydrophobicContact CD1-CE1 3.55Å; L1128-F1156 HydrophobicContact CD1-CZ 3.74Å |
| 1129 | G | 87 | Confident | 88.1 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 69% | 0.691 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | 16.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q1125 K1126 | Q1125-G1129 PolarHBondContact O-N 3.23Å; Q1125-G1129 VanDerWaalsContact O-N 3.15Å; K1126-G1129 PolarHBondContact O-N 3.03Å; K1126-G1129 VanDerWaalsContact O-N 3.14Å |
| 1130 | A | 86.3 | Confident | 87.6 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 16% | 0.157 | 42% | 0.415 | C | S | . | . | trans | -68.4 | 137.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1125 M1134 L1135 | Q1125-A1130 HydrophobicContact CB-CB 4.05Å; Q1125-A1130 WeakPolarHBondContact O-CB 3.46Å; Q1125-A1130 PolarHBondContact O-N 3.27Å; A1130-M1134 HydrophobicContact CB-CB 4.43Å; A1130-M1134 HydrophobicContact CB-SD 4.48Å; A1130-L1135 HydrophobicContact CB-CD1 4.04Å; A1130-L1135 HydrophobicContact CB-CD2 4Å; A1130-L1135 HydrophobicContact CB-CG 3.96Å | ||
| 1131 | D | 85.5 | Confident | 87.3 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 43% | 0.428 | 41% | 0.405 | S | S | . | . | trans | -85.7 | 169.5 | 178.8 | 69.7 | 26.3 | 0 | 0 | 0 | 113 | I1133 M1134 L1135 | D1131-I1133 PolarHBondContact O-N 3.39Å; D1131-I1133 WeakPolarHBondContact OD1-CA 3.36Å; D1131-I1133 WeakPolarHBondContact OD1-CB 3.48Å; D1131-I1133 PolarHBondContact OD1-N 3.41Å; D1131-M1134 PolarHBondContact O-N 3.14Å; D1131-M1134 WeakPolarHBondContact OD1-CG 3.46Å; D1131-M1134 PolarHBondContact OD1-N 2.6Å; D1131-L1135 WeakPolarHBondContact O-CB 3.17Å; D1131-L1135 WeakPolarHBondContact O-CG 3.17Å; D1131-L1135 PolarHBondContact O-N 3.28Å; D1131-L1135 VanDerWaalsContact O-N 3.07Å | ||
| 1132 | D | 82.3 | Confident | 87.1 | Confident | 119 Ų | 119 | 72.3 Ų | 72.3 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -10.9 | -179.3 | -70.5 | -46.1 | 0 | 0 | 0 | 113.6 | K1126 A1136 | K1126-D1132 WeakPolarHBondContact CE-OD1 3.27Å; K1126-D1132 IonicContact NZ-OD1 2.73Å; K1126-D1132 PolarHBondContact NZ-OD1 3.12Å; D1132-A1136 PolarHBondContact O-N 3.39Å |
| 1133 | I | 81.3 | Confident | 87.2 | Confident | 145 Ų | 145 | 71.5 Ų | 71.5 | 74% | 0.744 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -44.8 | 174.7 | -57.4 | 176.8 | 0 | 0 | 0 | 109.7 | D1131 L1135 A1136 | D1131-I1133 PolarHBondContact O-N 3.39Å; D1131-I1133 WeakPolarHBondContact OD1-CA 3.36Å; D1131-I1133 WeakPolarHBondContact OD1-CB 3.48Å; D1131-I1133 PolarHBondContact OD1-N 3.41Å; I1133-L1135 PolarHBondContact O-N 3.41Å; I1133-A1136 WeakPolarHBondContact O-CB 3.47Å; I1133-A1136 PolarHBondContact O-N 3.35Å |
| 1134 | M | 80.1 | Confident | 87.2 | Confident | 115 Ų | 115 | 65.6 Ų | 65.6 | 57% | 0.567 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -30.6 | 171.5 | -70 | -173.6 | 176.3 | 0 | 0 | 112.3 | A1130 D1131 | A1130-M1134 HydrophobicContact CB-CB 4.43Å; A1130-M1134 HydrophobicContact CB-SD 4.48Å; D1131-M1134 PolarHBondContact O-N 3.14Å; D1131-M1134 WeakPolarHBondContact OD1-CG 3.46Å; D1131-M1134 PolarHBondContact OD1-N 2.6Å |
| 1135 | L | 84.4 | Confident | 87 | Confident | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.047 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 23.2 | -179.7 | -57.6 | -177.1 | 0 | 0 | 0 | 113.7 | L1122 Q1125 K1126 A1130 D1131 I1133 K1137 L1146 | L1122-L1135 HydrophobicContact CD2-CB 3.8Å; L1122-L1135 HydrophobicContact CD2-CD1 4.1Å; L1122-L1135 HydrophobicContact CD2-CD2 4.08Å; L1122-L1135 HydrophobicContact CD2-CG 4.2Å; Q1125-L1135 HydrophobicContact CB-CD1 4.29Å; Q1125-L1135 HydrophobicContact CB-CD2 3.75Å; Q1125-L1135 HydrophobicContact CG-CD2 4.26Å; K1126-L1135 HydrophobicContact CD-CD1 4.19Å; K1126-L1135 HydrophobicContact CG-CD1 3.38Å; A1130-L1135 HydrophobicContact CB-CD1 4.04Å; A1130-L1135 HydrophobicContact CB-CD2 4Å; A1130-L1135 HydrophobicContact CB-CG 3.96Å; D1131-L1135 WeakPolarHBondContact O-CB 3.17Å; D1131-L1135 WeakPolarHBondContact O-CG 3.17Å; D1131-L1135 PolarHBondContact O-N 3.28Å; D1131-L1135 VanDerWaalsContact O-N 3.07Å; I1133-L1135 PolarHBondContact O-N 3.41Å; L1135-K1137 PolarHBondContact O-N 2.81Å; L1135-L1146 HydrophobicContact CD2-CD2 4.26Å |
| 1136 | A | 87 | Confident | 87 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 35% | 0.347 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 133.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1132 I1133 T1145 | D1132-A1136 PolarHBondContact O-N 3.39Å; I1133-A1136 WeakPolarHBondContact O-CB 3.47Å; I1133-A1136 PolarHBondContact O-N 3.35Å; A1136-T1145 PolarHBondContact O-N 3.24Å; A1136-T1145 PolarHBondContact O-OG1 3.18Å |
| 1137 | K | 88.2 | Confident | 87.1 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -94.3 | 138.4 | 176.6 | -67.6 | -177.7 | 167.7 | -150.2 | 0 | 109.9 | D1119 L1122 L1135 G1142 I1143 | D1119-K1137 IonicContact OD1-NZ 3.73Å; L1122-K1137 VanDerWaalsContact CD1-CE 3.42Å; L1135-K1137 PolarHBondContact O-N 2.81Å; K1137-G1142 VanDerWaalsContact CD-O 3.31Å; K1137-G1142 WeakPolarHBondContact CD-O 3.29Å; K1137-I1143 CarbonylContact C-O 3.47Å; K1137-I1143 WeakPolarHBondContact CA-O 3.42Å |
| 1138 | D | 85.8 | Confident | 87.1 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 22% | 0.219 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 123.5 | 164.5 | 164.2 | 44.6 | 0 | 0 | 0 | 108.9 | A1140 S1141 G1142 I1143 Y1148 | D1138-A1140 PolarHBondContact O-N 3.4Å; D1138-A1140 PolarHBondContact OD1-N 2.96Å; D1138-S1141 VanDerWaalsContact OD2-CB 3.25Å; D1138-S1141 WeakPolarHBondContact OD2-CB 3.31Å; D1138-S1141 PolarHBondContact OD2-N 3.35Å; D1138-S1141 PolarHBondContact OD2-OG 2.98Å; D1138-G1142 VanDerWaalsContact O-CA 3.29Å; D1138-G1142 WeakPolarHBondContact O-CA 3.49Å; D1138-G1142 PolarHBondContact O-N 3.11Å; D1138-I1143 PolarHBondContact N-O 3.31Å; D1138-Y1148 HydrophobicContact CB-CE2 4.21Å |
| 1139 | P | 83.8 | Confident | 87.1 | Confident | 132 Ų | 132 | 53.3 Ų | 53.3 | 86% | 0.857 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.4 | -176.8 | 26 | -35.6 | 0 | 0 | 0 | 113.8 | ||
| 1140 | A | 83.9 | Confident | 87.2 | Confident | 65 Ų | 65 | 50.9 Ų | 50.9 | 54% | 0.537 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -42.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1079 D1138 | Q1079-A1140 HydrophobicContact CG-CB 4.44Å; Q1079-A1140 VanDerWaalsContact NE2-CB 3.3Å; D1138-A1140 PolarHBondContact O-N 3.4Å; D1138-A1140 PolarHBondContact OD1-N 2.96Å |
| 1141 | S | 88.1 | Confident | 87.3 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -14.5 | 179.9 | 63.1 | 0 | 0 | 0 | 0 | 114.6 | H1115 D1138 I1143 Y1148 | H1115-S1141 PolarHBondContact CE1-O 3.19Å; H1115-S1141 VanDerWaalsContact CE1-O 3.3Å; D1138-S1141 VanDerWaalsContact OD2-CB 3.25Å; D1138-S1141 WeakPolarHBondContact OD2-CB 3.31Å; D1138-S1141 PolarHBondContact OD2-N 3.35Å; D1138-S1141 PolarHBondContact OD2-OG 2.98Å; S1141-I1143 PolarHBondContact O-N 2.85Å; S1141-Y1148 WeakPolarHBondContact CB-OH 3.46Å; S1141-Y1148 PolarHBondContact OG-OH 2.95Å |
| 1142 | G | 89.9 | Confident | 87.4 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | trans | 69.3 | 6.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1137 D1138 | K1137-G1142 VanDerWaalsContact CD-O 3.31Å; K1137-G1142 WeakPolarHBondContact CD-O 3.29Å; D1138-G1142 VanDerWaalsContact O-CA 3.29Å; D1138-G1142 WeakPolarHBondContact O-CA 3.49Å; D1138-G1142 PolarHBondContact O-N 3.11Å | ||
| 1143 | I | 94 | Very high | 87.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -88.4 | 143.4 | -179.7 | -56.3 | -56.5 | 0 | 0 | 0 | 110.7 | Y1082 L1085 V1114 N1118 K1137 D1138 S1141 L1147 Y1148 | Y1082-I1143 HydrophobicContact CD2-CG1 4.04Å; Y1082-I1143 HydrophobicContact CE2-CD1 4.46Å; Y1082-I1143 HydrophobicContact CE2-CG1 4.08Å; L1085-I1143 HydrophobicContact CD1-CG2 4.02Å; V1114-I1143 HydrophobicContact CG1-CD1 3.91Å; V1114-I1143 HydrophobicContact CG1-CG1 4.45Å; N1118-I1143 HydrophobicContact CB-CD1 3.88Å; K1137-I1143 CarbonylContact C-O 3.47Å; K1137-I1143 WeakPolarHBondContact CA-O 3.42Å; D1138-I1143 PolarHBondContact N-O 3.31Å; S1141-I1143 PolarHBondContact O-N 2.85Å; I1143-L1147 HydrophobicContact CG2-CB 4.34Å; I1143-L1147 HydrophobicContact CG2-CD2 3.87Å; I1143-Y1148 HydrophobicContact CB-CE2 3.74Å; I1143-Y1148 WeakPolarHBondContact CB-OH 3.44Å; I1143-Y1148 HydrophobicContact CG2-CD2 4.3Å; I1143-Y1148 HydrophobicContact CG2-CE1 4.13Å; I1143-Y1148 HydrophobicContact CG2-CE2 3.81Å | ||
| 1144 | C | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -62.9 | 129.9 | 176.6 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | N1118 L1122 L1146 L1147 Y1148 | N1118-C1144 WeakPolarHBondContact OD1-CB 3.23Å; N1118-C1144 PolarHBondContact OD1-N 3.02Å; L1122-C1144 HydrophobicContact CD2-CB 3.93Å; L1122-C1144 HydrophobicContact CG-CB 4.38Å; C1144-L1146 VanDerWaalsContact C-N 3.27Å; C1144-L1146 PolarHBondContact O-N 3.21Å; C1144-L1147 HydrophobicContact CB-CB 4.15Å; C1144-L1147 WeakPolarHBondContact O-CB 3.25Å; C1144-L1147 PolarHBondContact O-N 3.09Å; C1144-Y1148 PolarHBondContact O-N 2.98Å |
| 1145 | T | 88.3 | Confident | 87.4 | Confident | 51 Ų | 51 | 45.2 Ų | 45.2 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.4 | -37.9 | 177.8 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | A1136 L1147 Y1148 D1149 | A1136-T1145 PolarHBondContact O-N 3.24Å; A1136-T1145 PolarHBondContact O-OG1 3.18Å; T1145-L1147 VanDerWaalsContact C-N 3.26Å; T1145-L1147 PolarHBondContact O-N 3.48Å; T1145-Y1148 WeakPolarHBondContact O-CB 3.25Å; T1145-Y1148 PolarHBondContact O-N 3Å; T1145-Y1148 VanDerWaalsContact O-N 3.14Å; T1145-D1149 PolarHBondContact O-N 2.91Å |
| 1146 | L | 89.8 | Confident | 87.4 | Confident | 55 Ų | 55 | 48.4 Ų | 48.4 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -26.7 | 174.3 | -165.3 | 68.3 | 0 | 0 | 0 | 113.7 | F1121 L1135 C1144 D1149 S1150 | F1121-L1146 HydrophobicContact CE1-CB 4.17Å; F1121-L1146 HydrophobicContact CE1-CD2 4.29Å; F1121-L1146 HydrophobicContact CE1-CG 4.35Å; F1121-L1146 HydrophobicContact CZ-CB 4.27Å; F1121-L1146 HydrophobicContact CZ-CD2 4.06Å; F1121-L1146 HydrophobicContact CZ-CG 4.02Å; L1135-L1146 HydrophobicContact CD2-CD2 4.26Å; C1144-L1146 VanDerWaalsContact C-N 3.27Å; C1144-L1146 PolarHBondContact O-N 3.21Å; L1146-D1149 CarbonylContact O-C 3.58Å; L1146-D1149 PolarHBondContact O-N 3.18Å; L1146-S1150 PolarHBondContact O-N 3.36Å; L1146-S1150 VanDerWaalsContact O-N 3.09Å; L1146-S1150 PolarHBondContact O-OG 2.95Å |
| 1147 | L | 91.6 | Very high | 87.5 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73 | -38.4 | 173.4 | -174.1 | 70.4 | 0 | 0 | 0 | 110.9 | L1085 N1118 F1121 I1143 C1144 T1145 D1149 S1150 T1158 | L1085-L1147 HydrophobicContact CD1-CD2 4.34Å; N1118-L1147 HydrophobicContact CB-CD2 3.84Å; F1121-L1147 HydrophobicContact CB-CD1 4.02Å; F1121-L1147 HydrophobicContact CD1-CB 4.1Å; F1121-L1147 HydrophobicContact CD1-CD1 4.15Å; F1121-L1147 HydrophobicContact CD2-CD1 3.63Å; F1121-L1147 HydrophobicContact CE1-CB 4.1Å; F1121-L1147 HydrophobicContact CE2-CD1 4.05Å; F1121-L1147 HydrophobicContact CG-CD1 3.68Å; F1121-L1147 HydrophobicContact CZ-CB 4.48Å; F1121-L1147 HydrophobicContact CZ-CD1 4.48Å; I1143-L1147 HydrophobicContact CG2-CB 4.34Å; I1143-L1147 HydrophobicContact CG2-CD2 3.87Å; C1144-L1147 HydrophobicContact CB-CB 4.15Å; C1144-L1147 WeakPolarHBondContact O-CB 3.25Å; C1144-L1147 PolarHBondContact O-N 3.09Å; T1145-L1147 VanDerWaalsContact C-N 3.26Å; T1145-L1147 PolarHBondContact O-N 3.48Å; L1147-D1149 PolarHBondContact O-N 2.73Å; L1147-S1150 WeakPolarHBondContact O-CB 3.31Å; L1147-S1150 PolarHBondContact O-N 3.21Å; L1147-S1150 VanDerWaalsContact O-N 3.12Å; L1147-T1158 HydrophobicContact CD1-CG2 3.89Å; L1147-T1158 HydrophobicContact CG-CG2 4.23Å; L1147-T1158 WeakPolarHBondContact O-CG2 3.31Å |
| 1148 | Y | 90.5 | Very high | 87.6 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -29.3 | 172.4 | -72.2 | -54.5 | 0 | 0 | 0 | 112.8 | W1013 Q1014 R1017 E1081 Y1082 L1085 D1138 S1141 I1143 C1144 T1145 | W1013-Y1148 CarbonylContact C-O 3.55Å; Q1014-Y1148 VanDerWaalsContact CA-O 3.3Å; Q1014-Y1148 WeakPolarHBondContact CA-O 3.23Å; Q1014-Y1148 PolarHBondContact N-O 2.69Å; R1017-Y1148 PolarHBondContact NH1-O 2.88Å; E1081-Y1148 HydrophobicContact CB-CD1 3.65Å; E1081-Y1148 HydrophobicContact CB-CE1 3.81Å; E1081-Y1148 HydrophobicContact CB-CG 4.19Å; Y1082-Y1148 VanDerWaalsContact CB-OH 3.3Å; Y1082-Y1148 WeakPolarHBondContact CB-OH 3.48Å; Y1082-Y1148 WeakPolarHBondContact CD2-OH 3.47Å; L1085-Y1148 HydrophobicContact CD1-CD1 3.62Å; L1085-Y1148 HydrophobicContact CD1-CE1 3.39Å; L1085-Y1148 HydrophobicContact CG-CD1 4.06Å; L1085-Y1148 HydrophobicContact CG-CE1 3.94Å; D1138-Y1148 HydrophobicContact CB-CE2 4.21Å; S1141-Y1148 WeakPolarHBondContact CB-OH 3.46Å; S1141-Y1148 PolarHBondContact OG-OH 2.95Å; I1143-Y1148 HydrophobicContact CB-CE2 3.74Å; I1143-Y1148 WeakPolarHBondContact CB-OH 3.44Å; I1143-Y1148 HydrophobicContact CG2-CD2 4.3Å; I1143-Y1148 HydrophobicContact CG2-CE1 4.13Å; I1143-Y1148 HydrophobicContact CG2-CE2 3.81Å; C1144-Y1148 PolarHBondContact O-N 2.98Å; T1145-Y1148 WeakPolarHBondContact O-CB 3.25Å; T1145-Y1148 PolarHBondContact O-N 3Å; T1145-Y1148 VanDerWaalsContact O-N 3.14Å |
| 1149 | D | 89.6 | Confident | 87.8 | Confident | 26 Ų | 26 | 40.7 Ų | 40.7 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 3.9 | 176.4 | -158.5 | 41.9 | 0 | 0 | 0 | 114.7 | G1011 Q1012 W1013 Q1014 T1145 L1146 L1147 | G1011-D1149 WeakPolarHBondContact CA-OD1 3.28Å; G1011-D1149 VanDerWaalsContact N-CG 3.28Å; G1011-D1149 PolarHBondContact N-OD1 3Å; G1011-D1149 PolarHBondContact N-OD2 3.38Å; Q1012-D1149 PolarHBondContact N-OD1 3.2Å; Q1012-D1149 VanDerWaalsContact N-OD1 3.13Å; W1013-D1149 WeakPolarHBondContact CB-O 3.25Å; W1013-D1149 PolarHBondContact N-OD1 3.44Å; Q1014-D1149 HydrophobicContact CB-CB 4.1Å; Q1014-D1149 PolarHBondContact N-OD1 2.64Å; T1145-D1149 PolarHBondContact O-N 2.91Å; L1146-D1149 CarbonylContact O-C 3.58Å; L1146-D1149 PolarHBondContact O-N 3.18Å; L1147-D1149 PolarHBondContact O-N 2.73Å |
| 1150 | S | 89.8 | Confident | 88.2 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 12% | 0.119 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -79.6 | 136.6 | 175.8 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | R1017 F1121 L1146 L1147 | R1017-S1150 PolarHBondContact NH1-O 2.84Å; R1017-S1150 PolarHBondContact NH2-O 2.78Å; R1017-S1150 VanDerWaalsContact NH2-O 3.16Å; F1121-S1150 WeakPolarHBondContact CE2-OG 3.22Å; L1146-S1150 PolarHBondContact O-N 3.36Å; L1146-S1150 VanDerWaalsContact O-N 3.09Å; L1146-S1150 PolarHBondContact O-OG 2.95Å; L1147-S1150 WeakPolarHBondContact O-CB 3.31Å; L1147-S1150 PolarHBondContact O-N 3.21Å; L1147-S1150 VanDerWaalsContact O-N 3.12Å |
| 1151 | A | 88.3 | Confident | 88.7 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | trans | -57 | 151 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | W1013 S1153 G1157 T1158 | W1013-A1151 HydrophobicContact CD2-CB 4.36Å; W1013-A1151 HydrophobicContact CZ2-CB 4.02Å; A1151-S1153 VanDerWaalsContact C-N 3.28Å; A1151-S1153 PolarHBondContact O-N 3.05Å; A1151-G1157 CarbonylContact O-C 3.59Å; A1151-G1157 WeakPolarHBondContact O-CA 3.43Å; A1151-T1158 PolarHBondContact O-N 2.76Å | ||
| 1152 | P | 85.8 | Confident | 89 | Confident | 37 Ų | 37 | 33 Ų | 33 | 24% | 0.24 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -60.4 | -35.1 | 176.2 | -27.5 | 35.7 | 0 | 0 | 0 | 113.9 | W1013 T1158 M1159 | W1013-P1152 VanDerWaalsContact CE3-CD 3.44Å; W1013-P1152 HydrophobicContact CE3-CG 4.07Å; W1013-P1152 HydrophobicContact CH2-CG 4.39Å; W1013-P1152 HydrophobicContact CZ3-CG 3.83Å; P1152-T1158 WeakPolarHBondContact CA-OG1 3.44Å; P1152-M1159 HydrophobicContact CB-CG 4.33Å; P1152-M1159 WeakPolarHBondContact O-CB 3.4Å; P1152-M1159 WeakPolarHBondContact O-CG 3.11Å; P1152-M1159 PolarHBondContact O-N 3.2Å; P1152-M1159 VanDerWaalsContact O-N 3.08Å |
| 1153 | S | 83 | Confident | 89 | Confident | 70 Ų | 70 | 33.1 Ų | 33.1 | 49% | 0.49 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -117.2 | 162.5 | -175.2 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | A1151 | A1151-S1153 VanDerWaalsContact C-N 3.28Å; A1151-S1153 PolarHBondContact O-N 3.05Å |
| 1154 | G | 82.1 | Confident | 88.9 | Confident | 46 Ų | 46 | 37.6 Ų | 37.6 | 47% | 0.474 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 102.6 | 172.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1156 G1157 T1160 | G1154-F1156 VanDerWaalsContact C-N 3.28Å; G1154-F1156 PolarHBondContact O-N 2.89Å; G1154-G1157 PolarHBondContact O-N 3.15Å; G1154-T1160 PolarHBondContact O-OG1 2.86Å; G1154-T1160 VanDerWaalsContact O-OG1 3.08Å |
| 1155 | R | 79.8 | Confident | 88.9 | Confident | 175 Ų | 175 | 37.6 Ų | 37.6 | 66% | 0.66 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -42.3 | -172.2 | 177 | 177.8 | 171.6 | 166.4 | -0.8 | 113.9 | E1124 | E1124-R1155 IonicContact OE1-NE 3.54Å; E1124-R1155 IonicContact OE1-NH2 2.79Å |
| 1156 | F | 84.4 | Confident | 89 | Confident | 77 Ų | 77 | 35.5 Ų | 35.5 | 34% | 0.338 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 16.6 | 179.4 | -54.8 | -65.7 | 0 | 0 | 0 | 112.3 | E1124 L1128 G1154 Y1161 | E1124-F1156 HydrophobicContact CG-CE1 4.22Å; E1124-F1156 WeakPolarHBondContact OE1-CE1 3.47Å; L1128-F1156 HydrophobicContact CD1-CD1 4.36Å; L1128-F1156 HydrophobicContact CD1-CE1 3.55Å; L1128-F1156 HydrophobicContact CD1-CZ 3.74Å; G1154-F1156 VanDerWaalsContact C-N 3.28Å; G1154-F1156 PolarHBondContact O-N 2.89Å; F1156-Y1161 WeakPolarHBondContact CD1-OH 3.35Å |
| 1157 | G | 88.4 | Confident | 88.8 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | trans | -80.9 | 151.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1151 G1154 M1159 T1160 Y1161 | A1151-G1157 CarbonylContact O-C 3.59Å; A1151-G1157 WeakPolarHBondContact O-CA 3.43Å; G1154-G1157 PolarHBondContact O-N 3.15Å; G1157-M1159 VanDerWaalsContact C-N 3.33Å; G1157-M1159 PolarHBondContact O-N 2.92Å; G1157-T1160 WeakPolarHBondContact O-CB 2.94Å; G1157-T1160 PolarHBondContact O-N 3.16Å; G1157-Y1161 WeakPolarHBondContact O-CD2 3.43Å | ||
| 1158 | T | 91.8 | Very high | 88.5 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.6 | -42.1 | -174.3 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | R1017 L1085 E1088 L1147 A1151 P1152 T1160 Y1161 L1162 | R1017-T1158 VanDerWaalsContact NH2-CG2 3.29Å; R1017-T1158 PolarHBondContact NH2-OG1 3.03Å; L1085-T1158 HydrophobicContact CD2-CG2 4.01Å; E1088-T1158 WeakPolarHBondContact OE2-CB 3.32Å; E1088-T1158 PolarHBondContact OE2-OG1 3.37Å; L1147-T1158 HydrophobicContact CD1-CG2 3.89Å; L1147-T1158 HydrophobicContact CG-CG2 4.23Å; L1147-T1158 WeakPolarHBondContact O-CG2 3.31Å; A1151-T1158 PolarHBondContact O-N 2.76Å; P1152-T1158 WeakPolarHBondContact CA-OG1 3.44Å; T1158-T1160 PolarHBondContact O-N 2.7Å; T1158-Y1161 PolarHBondContact O-N 3.35Å; T1158-Y1161 VanDerWaalsContact O-N 3.13Å; T1158-L1162 WeakPolarHBondContact O-CB 3.47Å; T1158-L1162 VanDerWaalsContact O-CG 3.31Å; T1158-L1162 WeakPolarHBondContact O-CG 3.48Å; T1158-L1162 PolarHBondContact O-N 3.11Å |
| 1159 | M | 89.8 | Confident | 88.3 | Confident | 21 Ų | 21 | 40 Ų | 40 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -28.6 | 179.4 | -63.6 | -69.7 | -68.7 | 0 | 0 | 112.6 | I944 E1088 L1091 V1092 P1152 G1157 S1163 | I944-M1159 HydrophobicContact CD1-CE 3.86Å; I944-M1159 HydrophobicContact CG1-CE 3.98Å; E1088-M1159 HydrophobicContact CB-SD 3.93Å; E1088-M1159 HydrophobicContact CG-SD 4.25Å; L1091-M1159 HydrophobicContact CD2-CE 4.42Å; V1092-M1159 HydrophobicContact CG2-CE 3.46Å; V1092-M1159 VanDerWaalsContact CG2-CE 3.46Å; V1092-M1159 HydrophobicContact CG2-SD 4.01Å; P1152-M1159 HydrophobicContact CB-CG 4.33Å; P1152-M1159 WeakPolarHBondContact O-CB 3.4Å; P1152-M1159 WeakPolarHBondContact O-CG 3.11Å; P1152-M1159 PolarHBondContact O-N 3.2Å; P1152-M1159 VanDerWaalsContact O-N 3.08Å; G1157-M1159 VanDerWaalsContact C-N 3.33Å; G1157-M1159 PolarHBondContact O-N 2.92Å; M1159-S1163 VanDerWaalsContact O-CB 3.22Å; M1159-S1163 WeakPolarHBondContact O-CB 3.02Å; M1159-S1163 PolarHBondContact O-N 2.81Å; M1159-S1163 PolarHBondContact O-OG 2.53Å |
| 1160 | T | 90.8 | Very high | 87.8 | Confident | 41 Ų | 41 | 38.9 Ų | 38.9 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.2 | -42.8 | 176.5 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | G1154 G1157 T1158 K1164 | G1154-T1160 PolarHBondContact O-OG1 2.86Å; G1154-T1160 VanDerWaalsContact O-OG1 3.08Å; G1157-T1160 WeakPolarHBondContact O-CB 2.94Å; G1157-T1160 PolarHBondContact O-N 3.16Å; T1158-T1160 PolarHBondContact O-N 2.7Å; T1160-K1164 WeakPolarHBondContact O-CG 3.21Å; T1160-K1164 PolarHBondContact O-N 3.05Å; T1160-K1164 VanDerWaalsContact O-N 3.14Å |
| 1161 | Y | 94.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.2 | -40.7 | 175.9 | -64.4 | -77.6 | 0 | 0 | 0 | 112.1 | L1120 F1121 E1124 F1156 G1157 T1158 S1163 K1164 A1165 | L1120-Y1161 HydrophobicContact CB-CD1 3.93Å; F1121-Y1161 HydrophobicContact CB-CD1 4.17Å; F1121-Y1161 HydrophobicContact CB-CD2 4.31Å; F1121-Y1161 HydrophobicContact CB-CE1 4.25Å; F1121-Y1161 HydrophobicContact CB-CE2 4.39Å; F1121-Y1161 HydrophobicContact CB-CG 4.21Å; F1121-Y1161 AromaticContact CD2-CD2 3.96Å; F1121-Y1161 HydrophobicContact CD2-CD2 3.96Å; F1121-Y1161 AromaticContact CD2-CE2 3.55Å; F1121-Y1161 HydrophobicContact CD2-CE2 3.55Å; F1121-Y1161 AromaticContact CD2-CZ 3.94Å; F1121-Y1161 HydrophobicContact CE2-CE2 4.38Å; F1121-Y1161 HydrophobicContact CG-CE2 4.46Å; E1124-Y1161 HydrophobicContact CB-CE1 4.49Å; E1124-Y1161 VanDerWaalsContact CD-OH 3.3Å; E1124-Y1161 VanDerWaalsContact OE2-CE1 3.31Å; E1124-Y1161 WeakPolarHBondContact OE2-CE1 2.99Å; E1124-Y1161 PolarHBondContact OE2-OH 2.84Å; F1156-Y1161 WeakPolarHBondContact CD1-OH 3.35Å; G1157-Y1161 WeakPolarHBondContact O-CD2 3.43Å; T1158-Y1161 PolarHBondContact O-N 3.35Å; T1158-Y1161 VanDerWaalsContact O-N 3.13Å; Y1161-S1163 VanDerWaalsContact C-N 3.32Å; Y1161-S1163 PolarHBondContact O-N 2.75Å; Y1161-K1164 PolarHBondContact O-N 2.9Å; Y1161-A1165 VanDerWaalsContact O-CB 3.27Å; Y1161-A1165 WeakPolarHBondContact O-CB 3.48Å; Y1161-A1165 PolarHBondContact O-N 3.5Å |
| 1162 | L | 94.3 | Very high | 86.3 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 174.7 | -68.6 | 170.7 | 0 | 0 | 0 | 111.8 | E1088 A1089 V1092 I1113 V1114 A1117 T1158 A1165 A1166 | E1088-L1162 HydrophobicContact CB-CD1 3.6Å; A1089-L1162 HydrophobicContact CB-CD2 3.88Å; V1092-L1162 HydrophobicContact CG2-CB 3.97Å; I1113-L1162 HydrophobicContact CG2-CD2 4.36Å; V1114-L1162 HydrophobicContact CG2-CD2 4.05Å; A1117-L1162 HydrophobicContact CB-CD2 3.75Å; A1117-L1162 HydrophobicContact CB-CG 4.22Å; T1158-L1162 WeakPolarHBondContact O-CB 3.47Å; T1158-L1162 VanDerWaalsContact O-CG 3.31Å; T1158-L1162 WeakPolarHBondContact O-CG 3.48Å; T1158-L1162 PolarHBondContact O-N 3.11Å; L1162-A1165 PolarHBondContact O-N 2.92Å; L1162-A1166 WeakPolarHBondContact O-CB 3.43Å; L1162-A1166 PolarHBondContact O-N 2.99Å |
| 1163 | S | 90.9 | Very high | 85.4 | Confident | 30 Ų | 30 | 49.8 Ų | 49.8 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 174.8 | -60 | 0 | 0 | 0 | 0 | 112.4 | M1159 Y1161 A1167 | M1159-S1163 VanDerWaalsContact O-CB 3.22Å; M1159-S1163 WeakPolarHBondContact O-CB 3.02Å; M1159-S1163 PolarHBondContact O-N 2.81Å; M1159-S1163 PolarHBondContact O-OG 2.53Å; Y1161-S1163 VanDerWaalsContact C-N 3.32Å; Y1161-S1163 PolarHBondContact O-N 2.75Å; S1163-A1167 WeakPolarHBondContact O-CB 3.34Å; S1163-A1167 PolarHBondContact O-N 3.2Å |
| 1164 | K | 90.6 | Very high | 84.5 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 41% | 0.409 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.3 | -49.5 | 174.1 | -71.3 | 169.4 | -178.9 | 174.6 | 0 | 110.9 | L1120 E1124 T1160 Y1161 A1167 T1168 | L1120-K1164 HydrophobicContact CD1-CB 4Å; E1124-K1164 IonicContact OE2-NZ 3.18Å; T1160-K1164 WeakPolarHBondContact O-CG 3.21Å; T1160-K1164 PolarHBondContact O-N 3.05Å; T1160-K1164 VanDerWaalsContact O-N 3.14Å; Y1161-K1164 PolarHBondContact O-N 2.9Å; K1164-A1167 PolarHBondContact O-N 2.75Å; K1164-T1168 PolarHBondContact O-N 2.75Å; K1164-T1168 PolarHBondContact O-OG1 3.08Å; K1164-T1168 VanDerWaalsContact O-OG1 3.11Å |
| 1165 | A | 93.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1113 I1116 A1117 Y1161 L1162 T1168 Y1169 | I1113-A1165 HydrophobicContact CG2-CB 3.92Å; I1113-A1165 WeakPolarHBondContact O-CB 3.34Å; I1116-A1165 HydrophobicContact CB-CB 3.91Å; I1116-A1165 HydrophobicContact CG2-CB 3.66Å; A1117-A1165 HydrophobicContact CB-CB 3.84Å; Y1161-A1165 VanDerWaalsContact O-CB 3.27Å; Y1161-A1165 WeakPolarHBondContact O-CB 3.48Å; Y1161-A1165 PolarHBondContact O-N 3.5Å; L1162-A1165 PolarHBondContact O-N 2.92Å; A1165-T1168 PolarHBondContact O-N 2.74Å; A1165-Y1169 WeakPolarHBondContact O-CB 3.48Å; A1165-Y1169 PolarHBondContact O-N 2.76Å |
| 1166 | A | 89.6 | Confident | 82.2 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 5% | 0.05 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1092 L1093 I1113 L1162 V1170 | V1092-A1166 HydrophobicContact CG1-CB 3.67Å; L1093-A1166 HydrophobicContact CD2-CB 4.3Å; I1113-A1166 HydrophobicContact CD1-CB 4.37Å; I1113-A1166 HydrophobicContact CG2-CB 4.06Å; L1162-A1166 WeakPolarHBondContact O-CB 3.43Å; L1162-A1166 PolarHBondContact O-N 2.99Å; A1166-V1170 VanDerWaalsContact O-CB 3.24Å; A1166-V1170 WeakPolarHBondContact O-CB 3.33Å; A1166-V1170 VanDerWaalsContact O-CG2 3.24Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.5Å; A1166-V1170 PolarHBondContact O-N 3Å |
| 1167 | A | 85.6 | Confident | 80.3 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 51% | 0.512 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62 | -50.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1163 K1164 Y1169 Q1171 | S1163-A1167 WeakPolarHBondContact O-CB 3.34Å; S1163-A1167 PolarHBondContact O-N 3.2Å; K1164-A1167 PolarHBondContact O-N 2.75Å; A1167-Y1169 PolarHBondContact O-N 3.16Å; A1167-Q1171 VanDerWaalsContact O-CB 3.3Å; A1167-Q1171 WeakPolarHBondContact O-CB 3.38Å; A1167-Q1171 PolarHBondContact O-N 3.14Å |
| 1168 | T | 85.9 | Confident | 78.4 | Confident | 80 Ų | 80 | 54.7 Ų | 54.7 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 112 | K1164 A1165 | K1164-T1168 PolarHBondContact O-N 2.75Å; K1164-T1168 PolarHBondContact O-OG1 3.08Å; K1164-T1168 VanDerWaalsContact O-OG1 3.11Å; A1165-T1168 PolarHBondContact O-N 2.74Å |
| 1169 | Y | 86.4 | Confident | 76.2 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 7% | 0.071 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.8 | -40.8 | -176.8 | -175.6 | -122.2 | 0 | 0 | 0 | 112.8 | I1108 A1109 K1112 I1113 I1116 A1165 A1167 Q1171 E1172 F1173 | I1108-Y1169 HydrophobicContact CG2-CD1 4.3Å; I1108-Y1169 HydrophobicContact CG2-CE1 3.98Å; A1109-Y1169 HydrophobicContact CB-CE1 4.48Å; K1112-Y1169 HydrophobicContact CD-CE2 4.32Å; I1113-Y1169 HydrophobicContact CD1-CD1 3.94Å; I1113-Y1169 HydrophobicContact CG1-CD1 3.53Å; I1113-Y1169 HydrophobicContact CG1-CE1 4.22Å; I1113-Y1169 HydrophobicContact CG1-CG 4.23Å; I1116-Y1169 HydrophobicContact CD1-CD2 4.28Å; I1116-Y1169 HydrophobicContact CD1-CG 4.45Å; A1165-Y1169 WeakPolarHBondContact O-CB 3.48Å; A1165-Y1169 PolarHBondContact O-N 2.76Å; A1167-Y1169 PolarHBondContact O-N 3.16Å; Y1169-Q1171 VanDerWaalsContact C-N 3.32Å; Y1169-Q1171 PolarHBondContact O-N 2.86Å; Y1169-E1172 PolarHBondContact O-N 3.49Å; Y1169-F1173 HydrophobicContact CD1-CE2 4.25Å; Y1169-F1173 HydrophobicContact CD2-CE2 4.17Å; Y1169-F1173 AromaticContact CE1-CE2 3.92Å; Y1169-F1173 HydrophobicContact CE1-CE2 3.92Å; Y1169-F1173 HydrophobicContact CE1-CZ 4.48Å; Y1169-F1173 AromaticContact CE2-CE2 3.78Å; Y1169-F1173 HydrophobicContact CE2-CE2 3.78Å; Y1169-F1173 AromaticContact CE2-CZ 3.94Å; Y1169-F1173 HydrophobicContact CE2-CZ 3.94Å; Y1169-F1173 HydrophobicContact CG-CE2 4.38Å; Y1169-F1173 AromaticContact CZ-CE2 3.65Å; Y1169-F1173 AromaticContact CZ-CZ 3.82Å; Y1169-F1173 VanDerWaalsContact O-CD2 3.29Å; Y1169-F1173 WeakPolarHBondContact O-CD2 3.43Å; Y1169-F1173 VanDerWaalsContact O-CE2 3.31Å; Y1169-F1173 WeakPolarHBondContact O-CE2 3.45Å |
| 1170 | V | 78.9 | Confident | 74 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.6 | -28.9 | 178.9 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | L1093 L1096 I1104 A1166 E1172 F1173 L1174 | L1093-V1170 HydrophobicContact CD2-CG2 3.92Å; L1096-V1170 HydrophobicContact CD1-CB 4.4Å; L1096-V1170 HydrophobicContact CD1-CG1 3.99Å; L1096-V1170 HydrophobicContact CD1-CG2 3.98Å; I1104-V1170 HydrophobicContact CG2-CG1 4.27Å; A1166-V1170 VanDerWaalsContact O-CB 3.24Å; A1166-V1170 WeakPolarHBondContact O-CB 3.33Å; A1166-V1170 VanDerWaalsContact O-CG2 3.24Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.5Å; A1166-V1170 PolarHBondContact O-N 3Å; V1170-E1172 PolarHBondContact O-N 3.32Å; V1170-F1173 PolarHBondContact O-N 3.36Å; V1170-L1174 HydrophobicContact CG1-CD1 4.24Å; V1170-L1174 HydrophobicContact CG1-CG 4.29Å; V1170-L1174 PolarHBondContact O-N 2.8Å |
| 1171 | Q | 74.8 | Confident | 71.6 | Confident | 107 Ų | 107 | 63.7 Ų | 63.7 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.5 | -27.5 | 175 | -173.7 | 175.8 | -1.8 | 0 | 0 | 113.2 | A1167 Y1169 F1173 Q1182 | A1167-Q1171 VanDerWaalsContact O-CB 3.3Å; A1167-Q1171 WeakPolarHBondContact O-CB 3.38Å; A1167-Q1171 PolarHBondContact O-N 3.14Å; Y1169-Q1171 VanDerWaalsContact C-N 3.32Å; Y1169-Q1171 PolarHBondContact O-N 2.86Å; Q1171-F1173 PolarHBondContact O-N 2.94Å; Q1171-Q1182 VanDerWaalsContact NE2-NE2 3.15Å |
| 1172 | E | 70.4 | Confident | 69.2 | Low | 143 Ų | 143 | 70.4 Ų | 70.4 | 67% | 0.668 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.2 | 176 | -59.5 | -172.7 | 159.8 | 0 | 0 | 113.5 | Y1169 V1170 | Y1169-E1172 PolarHBondContact O-N 3.49Å; V1170-E1172 PolarHBondContact O-N 3.32Å |
| 1173 | F | 68.7 | Low | 67.9 | Low | 64 Ų | 64 | 73.8 Ų | 73.8 | 28% | 0.281 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -12 | -175.5 | -55.9 | -70.8 | 0 | 0 | 0 | 114.2 | I1104 S1106 Y1169 V1170 Q1171 | I1104-F1173 HydrophobicContact CG2-CB 4.09Å; S1106-F1173 WeakPolarHBondContact OG-CD1 3.02Å; S1106-F1173 WeakPolarHBondContact OG-CG 3.3Å; Y1169-F1173 HydrophobicContact CD1-CE2 4.25Å; Y1169-F1173 HydrophobicContact CD2-CE2 4.17Å; Y1169-F1173 AromaticContact CE1-CE2 3.92Å; Y1169-F1173 HydrophobicContact CE1-CE2 3.92Å; Y1169-F1173 HydrophobicContact CE1-CZ 4.48Å; Y1169-F1173 AromaticContact CE2-CE2 3.78Å; Y1169-F1173 HydrophobicContact CE2-CE2 3.78Å; Y1169-F1173 AromaticContact CE2-CZ 3.94Å; Y1169-F1173 HydrophobicContact CE2-CZ 3.94Å; Y1169-F1173 HydrophobicContact CG-CE2 4.38Å; Y1169-F1173 AromaticContact CZ-CE2 3.65Å; Y1169-F1173 AromaticContact CZ-CZ 3.82Å; Y1169-F1173 VanDerWaalsContact O-CD2 3.29Å; Y1169-F1173 WeakPolarHBondContact O-CD2 3.43Å; Y1169-F1173 VanDerWaalsContact O-CE2 3.31Å; Y1169-F1173 WeakPolarHBondContact O-CE2 3.45Å; V1170-F1173 PolarHBondContact O-N 3.36Å; Q1171-F1173 PolarHBondContact O-N 2.94Å |
| 1174 | L | 64.1 | Low | 66.7 | Low | 23 Ų | 23 | 76.1 Ų | 76.1 | 12% | 0.12 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -81 | 139.4 | -177.8 | -68.2 | 167.4 | 0 | 0 | 0 | 111.5 | I1101 V1170 H1176 M1181 | I1101-L1174 HydrophobicContact CG2-CD2 4.39Å; V1170-L1174 HydrophobicContact CG1-CD1 4.24Å; V1170-L1174 HydrophobicContact CG1-CG 4.29Å; V1170-L1174 PolarHBondContact O-N 2.8Å; L1174-H1176 PolarHBondContact O-N 3.03Å; L1174-M1181 HydrophobicContact CD1-CB 4.46Å; L1174-M1181 HydrophobicContact CD1-CE 3.57Å; L1174-M1181 HydrophobicContact CD1-SD 3.45Å; L1174-M1181 WeakPolarHBondContact CD1-SD 3.35Å; L1174-M1181 HydrophobicContact CD2-SD 3.99Å; L1174-M1181 HydrophobicContact CG-SD 4.39Å |
| 1175 | P | 58.9 | Low | 65.4 | Low | 70 Ų | 70 | 75.1 Ų | 75.1 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | trans | -61.7 | 136.4 | 170.2 | 26.8 | -33.3 | 0 | 0 | 0 | 110 | S1177 L1178 | P1175-S1177 PolarHBondContact O-N 2.93Å; P1175-L1178 HydrophobicContact CG-CD1 4.07Å; P1175-L1178 PolarHBondContact O-N 3.28Å | ||
| 1176 | H | 52.8 | Low | 63.7 | Low | 210 Ų | 210 | 79.5 Ų | 79.5 | 97% | 0.972 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 6.4 | -173.3 | -60.6 | -48.3 | 0 | 0 | 0 | 116.3 | L1174 | L1174-H1176 PolarHBondContact O-N 3.03Š|
| 1177 | S | 45.3 | Very low | 62.1 | Low | 100 Ų | 100 | 84.1 Ų | 84.1 | 70% | 0.699 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -8.4 | -176.7 | 50 | 0 | 0 | 0 | 0 | 115.1 | P1175 C1179 | P1175-S1177 PolarHBondContact O-N 2.93Å; S1177-C1179 PolarHBondContact O-N 3.33Å |
| 1178 | L | 48.2 | Very low | 60.5 | Low | 70 Ų | 70 | 85.5 Ų | 85.5 | 37% | 0.366 | 47% | 0.471 | S | S | . | . | trans | -92.5 | 78.7 | -176.2 | -72.3 | 170.6 | 0 | 0 | 0 | 113 | I1101 P1175 A1180 M1181 | I1101-L1178 HydrophobicContact CG2-CD1 4.19Å; P1175-L1178 HydrophobicContact CG-CD1 4.07Å; P1175-L1178 PolarHBondContact O-N 3.28Å; L1178-A1180 PolarHBondContact O-N 3.1Å; L1178-M1181 PolarHBondContact O-N 2.71Å | ||
| 1179 | C | 45.4 | Very low | 58.7 | Low | 97 Ų | 97 | 85.9 Ų | 85.9 | 66% | 0.655 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -64.9 | -21.1 | 179.8 | -170.7 | 0 | 0 | 0 | 0 | 114.2 | S1177 M1181 Q1182 | S1177-C1179 PolarHBondContact O-N 3.33Å; C1179-M1181 PolarHBondContact O-N 3.33Å; C1179-Q1182 PolarHBondContact O-N 2.94Å |
| 1180 | A | 43.4 | Very low | 56.6 | Low | 100 Ų | 100 | 91.2 Ų | 91.2 | 83% | 0.826 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -69.9 | -11.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1178 | L1178-A1180 PolarHBondContact O-N 3.1Š|
| 1181 | M | 41.8 | Very low | 54.7 | Low | 57 Ų | 57 | 98.6 Ų | 98.6 | 28% | 0.281 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -96.2 | -3.5 | 177.6 | -91.4 | -162.2 | 71.6 | 0 | 0 | 114.9 | L1096 I1099 I1101 L1174 L1178 C1179 | L1096-M1181 HydrophobicContact CD2-CE 3.67Å; I1099-M1181 HydrophobicContact CD1-CE 4.49Å; I1099-M1181 HydrophobicContact CD1-CG 4.37Å; I1099-M1181 HydrophobicContact CG2-CG 4.38Å; I1101-M1181 HydrophobicContact CD1-CG 4.43Å; I1101-M1181 HydrophobicContact CD1-SD 3.33Å; I1101-M1181 WeakPolarHBondContact CD1-SD 3.29Å; I1101-M1181 HydrophobicContact CG1-SD 4.22Å; L1174-M1181 HydrophobicContact CD1-CB 4.46Å; L1174-M1181 HydrophobicContact CD1-CE 3.57Å; L1174-M1181 HydrophobicContact CD1-SD 3.45Å; L1174-M1181 WeakPolarHBondContact CD1-SD 3.35Å; L1174-M1181 HydrophobicContact CD2-SD 3.99Å; L1174-M1181 HydrophobicContact CG-SD 4.39Å; L1178-M1181 PolarHBondContact O-N 2.71Å; C1179-M1181 PolarHBondContact O-N 3.33Å |
| 1182 | Q | 43.2 | Very low | 52.9 | Low | 142 Ų | 142 | 97.8 Ų | 97.8 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | trans | -106.5 | 0 | -179.8 | -66.5 | -176.3 | -41.1 | 0 | 0 | 111.8 | R958 Q1171 C1179 | R958-Q1182 PolarHBondContact NH1-OXT 2.77Å; R958-Q1182 PolarHBondContact NH2-O 3.06Å; R958-Q1182 VanDerWaalsContact NH2-O 3.13Å; R958-Q1182 PolarHBondContact NH2-OXT 2.81Å; Q1171-Q1182 VanDerWaalsContact NE2-NE2 3.15Å; C1179-Q1182 PolarHBondContact O-N 2.94Å |
Retrieved 1,182 of 1,182 residues in 717.1 ms
(Link to these results)