| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.7 | Very low | 69.9 | Low | 248 Ų | 248 | 100.1 Ų | 100.1 | 100% | 1.222 | 50% | 0.5 | S | S | * | . | 0 | 101.3 | 0 | -74.9 | 171 | 169.8 | 0 | 0 | 108.1 | |||||
| 2 | R | 44.6 | Very low | 71.6 | Confident | 237 Ų | 237 | 94.8 Ų | 94.8 | 89% | 0.894 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 127.7 | 173.9 | -77.5 | -179.6 | 175.4 | 171.6 | -1.8 | 108.3 | R67 | R2-R67 PolarHBondContact O-NH2 2.64Å; R2-R67 VanDerWaalsContact O-NH2 3.16Å |
| 3 | S | 57.3 | Low | 73.3 | Confident | 116 Ų | 116 | 89.8 Ų | 89.8 | 81% | 0.811 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 136.6 | 177.2 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 4 | R | 60.5 | Low | 74.8 | Confident | 60 Ų | 60 | 85.4 Ų | 85.4 | 23% | 0.226 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 148.7 | 172.9 | -136.7 | -176.8 | -179.5 | 151.4 | 14.7 | 108.9 | D12 E69 D70 | R4-D12 IonicContact CZ-OD2 3.37Å; R4-D12 IonicContact NH1-OD1 3.53Å; R4-D12 IonicContact NH1-OD2 3.8Å; R4-D12 PolarHBondContact NH1-OD2 3.25Å; R4-E69 IonicContact CZ-OE2 3.39Å; R4-E69 IonicContact NH2-OE2 3.59Å; R4-E69 PolarHBondContact NH2-OE2 2.98Å; R4-D70 IonicContact CZ-OD1 3.51Å; R4-D70 IonicContact NE-OD1 2.93Å; R4-D70 IonicContact NH2-OD1 3.18Å; R4-D70 PolarHBondContact NH2-OD1 3.3Å |
| 5 | S | 67.2 | Low | 76.2 | Confident | 38 Ų | 38 | 81.3 Ų | 81.3 | 27% | 0.266 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 147.9 | 174.6 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | S7 G8 V9 D66 | S5-S7 WeakPolarHBondContact CB-OG 3.37Å; S5-S7 PolarHBondContact O-N 2.95Å; S5-S7 PolarHBondContact OG-OG 2.9Å; S5-S7 VanDerWaalsContact OG-OG 3.09Å; S5-G8 PolarHBondContact O-N 3.23Å; S5-G8 VanDerWaalsContact O-N 3.14Å; S5-V9 PolarHBondContact O-N 3.43Å; S5-D66 WeakPolarHBondContact CB-OD2 3.06Å; S5-D66 PolarHBondContact OG-OD2 3.18Å |
| 6 | N | 75.7 | Confident | 77.3 | Confident | 143 Ų | 143 | 85.8 Ų | 85.8 | 77% | 0.765 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -59.3 | -28.4 | 177 | -81.7 | -16.1 | 0 | 0 | 0 | 112 | R10 | N6-R10 PolarHBondContact O-N 3.33Å |
| 7 | S | 77.4 | Confident | 78.3 | Confident | 35 Ų | 35 | 82.1 Ų | 82.1 | 25% | 0.245 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 173.1 | 43.6 | 0 | 0 | 0 | 0 | 112 | S5 V9 R10 L11 | S5-S7 WeakPolarHBondContact CB-OG 3.37Å; S5-S7 PolarHBondContact O-N 2.95Å; S5-S7 PolarHBondContact OG-OG 2.9Å; S5-S7 VanDerWaalsContact OG-OG 3.09Å; S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 PolarHBondContact O-N 3.18Å; S7-R10 PolarHBondContact O-N 3.11Å; S7-R10 VanDerWaalsContact O-N 3.15Å; S7-L11 PolarHBondContact O-N 3.46Å |
| 8 | G | 81.1 | Confident | 79.3 | Confident | 5 Ų | 5 | 77.6 Ų | 77.6 | 5% | 0.052 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.7 | -38.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S5 L11 D12 | S5-G8 PolarHBondContact O-N 3.23Å; S5-G8 VanDerWaalsContact O-N 3.14Å; G8-L11 PolarHBondContact O-N 2.88Å; G8-D12 WeakPolarHBondContact O-CB 3.49Å; G8-D12 PolarHBondContact O-N 3.46Å |
| 9 | V | 84.5 | Confident | 80.1 | Confident | 85 Ų | 85 | 78.9 Ų | 78.9 | 52% | 0.515 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | S5 S7 G13 | S5-V9 PolarHBondContact O-N 3.43Å; S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 PolarHBondContact O-N 3.18Å; V9-G13 PolarHBondContact O-N 2.99Å |
| 10 | R | 89.4 | Confident | 80.8 | Confident | 132 Ų | 132 | 79.3 Ų | 79.3 | 50% | 0.498 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70 | -42.5 | 176.3 | -72.1 | -175.9 | 73.9 | 146 | 16 | 111.9 | N6 S7 D12 G13 Y14 E415 F417 | N6-R10 PolarHBondContact O-N 3.33Å; S7-R10 PolarHBondContact O-N 3.11Å; S7-R10 VanDerWaalsContact O-N 3.15Å; R10-D12 VanDerWaalsContact C-N 3.3Å; R10-D12 PolarHBondContact O-N 2.99Å; R10-G13 WeakPolarHBondContact O-CA 3.39Å; R10-G13 PolarHBondContact O-N 2.88Å; R10-Y14 WeakPolarHBondContact O-CD2 3.34Å; R10-Y14 PolarHBondContact O-N 3.09Å; R10-Y14 VanDerWaalsContact O-N 3.08Å; R10-E415 IonicContact CZ-OE1 3.11Å; R10-E415 IonicContact CZ-OE2 3.86Å; R10-E415 IonicContact NE-OE2 3.82Å; R10-E415 PolarHBondContact NE-OE2 3.14Å; R10-E415 IonicContact NH2-OE1 3.64Å; R10-E415 PolarHBondContact NH2-OE1 3.48Å; R10-E415 IonicContact NH2-OE2 3.45Å; R10-E415 PolarHBondContact NH2-OE2 3.26Å; R10-F417 HydrophobicContact CB-CE2 4.14Å; R10-F417 HydrophobicContact CB-CZ 3.69Å; R10-F417 HydrophobicContact CG-CZ 4.45Å |
| 11 | L | 91.7 | Very high | 81.4 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 174.6 | -70.7 | 175.1 | 0 | 0 | 0 | 112 | S7 G8 G13 Y14 A15 L57 A60 Y61 N64 L412 F417 | S7-L11 PolarHBondContact O-N 3.46Å; G8-L11 PolarHBondContact O-N 2.88Å; L11-G13 PolarHBondContact O-N 2.81Å; L11-Y14 PolarHBondContact O-N 3.47Å; L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 2.67Å; L11-L57 HydrophobicContact CD2-CD1 4.1Å; L11-A60 HydrophobicContact CD2-CB 3.89Å; L11-Y61 HydrophobicContact CB-CD1 4.42Å; L11-Y61 HydrophobicContact CB-CE1 3.79Å; L11-Y61 HydrophobicContact CB-CE2 4.29Å; L11-Y61 HydrophobicContact CD1-CD1 4.16Å; L11-Y61 HydrophobicContact CD1-CE1 4.3Å; L11-Y61 PolarHBondContact O-OH 2.88Å; L11-N64 HydrophobicContact CD1-CB 4.02Å; L11-L412 HydrophobicContact CD2-CD2 4.14Å; L11-F417 HydrophobicContact CD1-CD1 4.33Å; L11-F417 HydrophobicContact CD2-CB 4.32Å; L11-F417 HydrophobicContact CD2-CD1 3.84Å; L11-F417 HydrophobicContact CD2-CD2 4.48Å; L11-F417 HydrophobicContact CD2-CE1 4.28Å; L11-F417 HydrophobicContact CD2-CG 3.96Å; L11-F417 HydrophobicContact CG-CD1 4.03Å; L11-F417 HydrophobicContact CG-CE1 4.05Å |
| 12 | D | 90.8 | Very high | 84.1 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -32.8 | 171.3 | -78.8 | -27.1 | 0 | 0 | 0 | 111.6 | R4 G8 R10 R16 Y61 K73 | R4-D12 IonicContact CZ-OD2 3.37Å; R4-D12 IonicContact NH1-OD1 3.53Å; R4-D12 IonicContact NH1-OD2 3.8Å; R4-D12 PolarHBondContact NH1-OD2 3.25Å; G8-D12 WeakPolarHBondContact O-CB 3.49Å; G8-D12 PolarHBondContact O-N 3.46Å; R10-D12 VanDerWaalsContact C-N 3.3Å; R10-D12 PolarHBondContact O-N 2.99Å; D12-R16 PolarHBondContact O-N 3.44Å; D12-Y61 WeakPolarHBondContact CA-OH 3.32Å; D12-Y61 PolarHBondContact N-OH 3.24Å; D12-Y61 PolarHBondContact OD1-OH 3.48Å; D12-K73 IonicContact OD1-NZ 3.5Å; D12-K73 PolarHBondContact OD1-NZ 2.84Å |
| 13 | G | 92.6 | Very high | 86.5 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | V9 R10 L11 R16 L17 | V9-G13 PolarHBondContact O-N 2.99Å; R10-G13 WeakPolarHBondContact O-CA 3.39Å; R10-G13 PolarHBondContact O-N 2.88Å; L11-G13 PolarHBondContact O-N 2.81Å; G13-R16 PolarHBondContact O-N 3.13Å; G13-L17 PolarHBondContact O-N 3.24Å |
| 14 | Y | 95.3 | Very high | 88.3 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 11% | 0.106 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 173.9 | -73.6 | -67 | 0 | 0 | 0 | 112.6 | R10 L11 R16 L17 V18 I408 C411 L412 E415 F417 | R10-Y14 WeakPolarHBondContact O-CD2 3.34Å; R10-Y14 PolarHBondContact O-N 3.09Å; R10-Y14 VanDerWaalsContact O-N 3.08Å; L11-Y14 PolarHBondContact O-N 3.47Å; Y14-R16 VanDerWaalsContact C-N 3.33Å; Y14-R16 PolarHBondContact O-N 3.33Å; Y14-L17 HydrophobicContact CD1-CD2 4.4Å; Y14-L17 WeakPolarHBondContact O-CB 3.5Å; Y14-L17 PolarHBondContact O-N 3.22Å; Y14-L17 VanDerWaalsContact O-N 3.15Å; Y14-V18 WeakPolarHBondContact O-CG2 3.47Å; Y14-V18 PolarHBondContact O-N 3.22Å; Y14-I408 HydrophobicContact CD1-CG2 4.16Å; Y14-C411 HydrophobicContact CE1-CB 3.88Å; Y14-C411 WeakPolarHBondContact OH-CB 3.48Å; Y14-L412 HydrophobicContact CD1-CD2 4.4Å; Y14-L412 HydrophobicContact CD2-CD2 3.64Å; Y14-L412 HydrophobicContact CE2-CD2 3.93Å; Y14-L412 HydrophobicContact CG-CD2 3.91Å; Y14-E415 PolarHBondContact OH-OE1 2.9Å; Y14-E415 PolarHBondContact OH-OE2 3.38Å; Y14-E415 VanDerWaalsContact OH-OE2 3.05Å; Y14-F417 HydrophobicContact CE2-CD2 4.3Å; Y14-F417 HydrophobicContact CE2-CE2 4.2Å |
| 15 | A | 94.9 | Very high | 89.9 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 21% | 0.207 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L11 L17 Q19 L57 Y61 | L11-A15 WeakPolarHBondContact O-CB 3.48Å; L11-A15 PolarHBondContact O-N 2.67Å; A15-L17 VanDerWaalsContact C-N 3.34Å; A15-L17 PolarHBondContact O-N 3.36Å; A15-Q19 WeakPolarHBondContact O-CB 3.39Å; A15-Q19 PolarHBondContact O-N 2.93Å; A15-L57 HydrophobicContact CB-CD2 4.01Å; A15-Y61 HydrophobicContact CB-CE2 4.17Å; A15-Y61 WeakPolarHBondContact CB-OH 3.49Å |
| 16 | R | 93.6 | Very high | 91.3 | Very high | 152 Ų | 152 | 50.6 Ų | 50.6 | 57% | 0.574 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.2 | -43.8 | 172.3 | -171.1 | -174.9 | -55.5 | 127.1 | 7.7 | 111.5 | D12 G13 Y14 Q19 E20 | D12-R16 PolarHBondContact O-N 3.44Å; G13-R16 PolarHBondContact O-N 3.13Å; Y14-R16 VanDerWaalsContact C-N 3.33Å; Y14-R16 PolarHBondContact O-N 3.33Å; R16-Q19 PolarHBondContact O-N 2.95Å; R16-E20 WeakPolarHBondContact CD-OE1 3.33Å; R16-E20 HydrophobicContact CG-CG 4.34Å; R16-E20 WeakPolarHBondContact CG-OE1 3.37Å; R16-E20 WeakPolarHBondContact O-CB 3.28Å; R16-E20 WeakPolarHBondContact O-CG 3.37Å; R16-E20 PolarHBondContact O-N 3.48Å |
| 17 | L | 94.3 | Very high | 92.3 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.7 | -54.3 | 178.3 | -178.1 | 59.9 | 0 | 0 | 0 | 111.2 | G13 Y14 A15 Q19 E20 T21 I366 I408 | G13-L17 PolarHBondContact O-N 3.24Å; Y14-L17 HydrophobicContact CD1-CD2 4.4Å; Y14-L17 WeakPolarHBondContact O-CB 3.5Å; Y14-L17 PolarHBondContact O-N 3.22Å; Y14-L17 VanDerWaalsContact O-N 3.15Å; A15-L17 VanDerWaalsContact C-N 3.34Å; A15-L17 PolarHBondContact O-N 3.36Å; L17-Q19 VanDerWaalsContact C-N 3.3Å; L17-Q19 PolarHBondContact O-N 3.3Å; L17-E20 PolarHBondContact O-N 3.08Å; L17-T21 HydrophobicContact CD1-CG2 3.88Å; L17-T21 WeakPolarHBondContact O-CG2 3.33Å; L17-T21 PolarHBondContact O-N 3.07Å; L17-T21 PolarHBondContact O-OG1 3.16Å; L17-I366 HydrophobicContact CD1-CG2 3.51Å; L17-I408 HydrophobicContact CD2-CD1 3.89Å; L17-I408 HydrophobicContact CD2-CG1 3.67Å; L17-I408 HydrophobicContact CG-CD1 3.86Å; L17-I408 HydrophobicContact CG-CG1 4.23Å |
| 18 | V | 96.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 177.4 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | Y14 I22 L23 A53 V54 L57 I408 | Y14-V18 WeakPolarHBondContact O-CG2 3.47Å; Y14-V18 PolarHBondContact O-N 3.22Å; V18-I22 WeakPolarHBondContact O-CA 3.42Å; V18-I22 PolarHBondContact O-N 3.42Å; V18-L23 HydrophobicContact CG1-CD1 3.85Å; V18-L23 HydrophobicContact CG1-CG 3.93Å; V18-L23 PolarHBondContact O-N 3.49Å; V18-A53 HydrophobicContact CG2-CB 4.34Å; V18-V54 HydrophobicContact CG1-CG2 3.81Å; V18-L57 HydrophobicContact CB-CD2 4.15Å; V18-L57 HydrophobicContact CG2-CD2 3.9Å; V18-I408 HydrophobicContact CG2-CD1 3.91Å; V18-I408 HydrophobicContact CG2-CG2 4.18Å |
| 19 | Q | 95.6 | Very high | 93.8 | Very high | 103 Ų | 103 | 53.8 Ų | 53.8 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 178.5 | -173 | 62 | 34.6 | 0 | 0 | 112.3 | A15 R16 L17 C24 | A15-Q19 WeakPolarHBondContact O-CB 3.39Å; A15-Q19 PolarHBondContact O-N 2.93Å; R16-Q19 PolarHBondContact O-N 2.95Å; L17-Q19 VanDerWaalsContact C-N 3.3Å; L17-Q19 PolarHBondContact O-N 3.3Å; Q19-C24 WeakPolarHBondContact O-CB 3.41Å; Q19-C24 PolarHBondContact O-N 3.36Å |
| 20 | E | 93.6 | Very high | 94.3 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -80.1 | -23.7 | -176.4 | -71 | -171.3 | -143.4 | 0 | 0 | 113.4 | R16 L17 C24 I366 | R16-E20 WeakPolarHBondContact CD-OE1 3.33Å; R16-E20 HydrophobicContact CG-CG 4.34Å; R16-E20 WeakPolarHBondContact CG-OE1 3.37Å; R16-E20 WeakPolarHBondContact O-CB 3.28Å; R16-E20 WeakPolarHBondContact O-CG 3.37Å; R16-E20 PolarHBondContact O-N 3.48Å; L17-E20 PolarHBondContact O-N 3.08Å; E20-C24 PolarHBondContact O-SG 3.32Å; E20-I366 HydrophobicContact CB-CD1 3.91Å; E20-I366 VanDerWaalsContact CD-CD1 3.42Å; E20-I366 HydrophobicContact CG-CD1 4.22Å; E20-I366 WeakPolarHBondContact OE2-CD1 3.43Å |
| 21 | T | 93.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -107.3 | -25.1 | -177.3 | 64.8 | 0 | 0 | 0 | 0 | 115.5 | L17 I366 L368 P399 Q404 | L17-T21 HydrophobicContact CD1-CG2 3.88Å; L17-T21 WeakPolarHBondContact O-CG2 3.33Å; L17-T21 PolarHBondContact O-N 3.07Å; L17-T21 PolarHBondContact O-OG1 3.16Å; T21-I366 HydrophobicContact CG2-CG2 4.14Å; T21-L368 HydrophobicContact CG2-CD2 3.7Å; T21-P399 HydrophobicContact CG2-CG 4.33Å; T21-Q404 HydrophobicContact CG2-CG 4.46Å |
| 22 | I | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | -64 | -173.8 | -61.4 | 168.1 | 0 | 0 | 0 | 110.8 | V18 C24 H25 L33 A53 V54 I408 | V18-I22 WeakPolarHBondContact O-CA 3.42Å; V18-I22 PolarHBondContact O-N 3.42Å; I22-C24 VanDerWaalsContact C-N 3.27Å; I22-C24 PolarHBondContact O-N 3.2Å; I22-H25 PolarHBondContact O-N 3.21Å; I22-L33 HydrophobicContact CG2-CD1 3.93Å; I22-L33 HydrophobicContact CG2-CD2 4.3Å; I22-L33 WeakPolarHBondContact O-CD2 3.2Å; I22-A53 HydrophobicContact CD1-CB 3.97Å; I22-V54 HydrophobicContact CG2-CG2 4.2Å; I22-I408 HydrophobicContact CD1-CD1 4.34Å |
| 23 | L | 96.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -68.4 | -23.1 | -171.1 | -68.1 | 174.1 | 0 | 0 | 0 | 113.6 | V18 H25 Q26 V54 L77 | V18-L23 HydrophobicContact CG1-CD1 3.85Å; V18-L23 HydrophobicContact CG1-CG 3.93Å; V18-L23 PolarHBondContact O-N 3.49Å; L23-H25 PolarHBondContact O-N 3.03Å; L23-H25 VanDerWaalsContact O-N 3.15Å; L23-Q26 HydrophobicContact CD2-CB 4.47Å; L23-Q26 WeakPolarHBondContact O-CB 3.49Å; L23-Q26 PolarHBondContact O-N 3.35Å; L23-Q26 VanDerWaalsContact O-N 3.1Å; L23-V54 HydrophobicContact CD1-CG1 4.31Å; L23-V54 HydrophobicContact CD2-CG1 4.12Å; L23-V54 HydrophobicContact CD2-CG2 3.82Å; L23-V54 HydrophobicContact CG-CG2 4.06Å; L23-L77 HydrophobicContact CD1-CD2 3.82Å |
| 24 | C | 94 | Very high | 95.4 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -60.3 | -20 | 171.8 | 62 | 0 | 0 | 0 | 0 | 113.4 | Q19 E20 I22 | Q19-C24 WeakPolarHBondContact O-CB 3.41Å; Q19-C24 PolarHBondContact O-N 3.36Å; E20-C24 PolarHBondContact O-SG 3.32Å; I22-C24 VanDerWaalsContact C-N 3.27Å; I22-C24 PolarHBondContact O-N 3.2Å |
| 25 | H | 94.8 | Very high | 94.9 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 26% | 0.259 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -99.1 | -9.1 | 178.1 | -60.5 | -54.9 | 0 | 0 | 0 | 113.2 | I22 L23 N27 L33 P34 M401 | I22-H25 PolarHBondContact O-N 3.21Å; L23-H25 PolarHBondContact O-N 3.03Å; L23-H25 VanDerWaalsContact O-N 3.15Å; H25-N27 PolarHBondContact O-N 2.87Å; H25-L33 HydrophobicContact CB-CD2 4.2Å; H25-P34 HydrophobicContact CB-CG 4.18Å; H25-P34 VanDerWaalsContact O-CD 3.25Å; H25-P34 WeakPolarHBondContact O-CD 3.44Å; H25-M401 HydrophobicContact CB-SD 4.38Å |
| 26 | Q | 96.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 15% | 0.145 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -67.4 | 128.2 | -176.8 | -164.3 | 178.9 | 30.1 | 0 | 0 | 110.7 | L23 G31 L33 S80 | L23-Q26 HydrophobicContact CD2-CB 4.47Å; L23-Q26 WeakPolarHBondContact O-CB 3.49Å; L23-Q26 PolarHBondContact O-N 3.35Å; L23-Q26 VanDerWaalsContact O-N 3.1Å; Q26-G31 WeakPolarHBondContact CG-O 3.47Å; Q26-G31 PolarHBondContact NE2-O 2.73Å; Q26-L33 HydrophobicContact CB-CD2 3.83Å; Q26-L33 HydrophobicContact CG-CD2 4.3Å; Q26-S80 PolarHBondContact NE2-O 3.22Å; Q26-S80 PolarHBondContact OE1-OG 2.81Å |
| 27 | N | 96.5 | Very high | 93.7 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | trans | -66.2 | 127.1 | 175.4 | -173.4 | -73.3 | 0 | 0 | 0 | 110.2 | H25 V29 T30 G31 L32 T118 | H25-N27 PolarHBondContact O-N 2.87Å; N27-V29 PolarHBondContact O-N 3.14Å; N27-V29 WeakPolarHBondContact OD1-CA 3.02Å; N27-V29 WeakPolarHBondContact OD1-CB 3.5Å; N27-V29 PolarHBondContact OD1-N 2.96Å; N27-T30 VanDerWaalsContact CB-OG1 3.3Å; N27-T30 WeakPolarHBondContact CB-OG1 3.19Å; N27-T30 VanDerWaalsContact CG-OG1 3.31Å; N27-T30 PolarHBondContact OD1-N 2.99Å; N27-T30 PolarHBondContact OD1-OG1 2.98Å; N27-G31 VanDerWaalsContact O-CA 3.25Å; N27-G31 WeakPolarHBondContact O-CA 3.48Å; N27-G31 PolarHBondContact O-N 3.12Å; N27-L32 WeakPolarHBondContact CB-O 3.32Å; N27-L32 PolarHBondContact N-O 3.09Å; N27-T118 HydrophobicContact CB-CG2 3.88Å | ||
| 28 | P | 94.3 | Very high | 93 | Very high | 105 Ų | 105 | 43.7 Ų | 43.7 | 68% | 0.682 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -12.7 | -174.1 | 29.2 | -36.3 | 0 | 0 | 0 | 113.7 | K83 | P28-K83 WeakPolarHBondContact O-CE 3.28Å; P28-K83 PolarHBondContact O-NZ 2.93Å |
| 29 | V | 94.6 | Very high | 92.3 | Very high | 114 Ų | 114 | 47.8 Ų | 47.8 | 69% | 0.691 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -56.2 | -179.6 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | N27 K83 | N27-V29 PolarHBondContact O-N 3.14Å; N27-V29 WeakPolarHBondContact OD1-CA 3.02Å; N27-V29 WeakPolarHBondContact OD1-CB 3.5Å; N27-V29 PolarHBondContact OD1-N 2.96Å; V29-K83 WeakPolarHBondContact O-CE 3.47Å |
| 30 | T | 96.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -18.3 | -174.8 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | N27 L32 G87 T118 A119 C121 | N27-T30 VanDerWaalsContact CB-OG1 3.3Å; N27-T30 WeakPolarHBondContact CB-OG1 3.19Å; N27-T30 VanDerWaalsContact CG-OG1 3.31Å; N27-T30 PolarHBondContact OD1-N 2.99Å; N27-T30 PolarHBondContact OD1-OG1 2.98Å; T30-L32 PolarHBondContact O-N 2.83Å; T30-L32 PolarHBondContact OG1-N 2.84Å; T30-G87 WeakPolarHBondContact O-CA 3.12Å; T30-T118 PolarHBondContact OG1-O 2.95Å; T30-A119 VanDerWaalsContact CG2-O 3.32Å; T30-A119 WeakPolarHBondContact CG2-O 3.4Å; T30-C121 VanDerWaalsContact CG2-SG 3.54Å |
| 31 | G | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | 75.1 | -4.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q26 N27 L84 | Q26-G31 WeakPolarHBondContact CG-O 3.47Å; Q26-G31 PolarHBondContact NE2-O 2.73Å; N27-G31 VanDerWaalsContact O-CA 3.25Å; N27-G31 WeakPolarHBondContact O-CA 3.48Å; N27-G31 PolarHBondContact O-N 3.12Å; G31-L84 WeakPolarHBondContact O-CA 3.38Å; G31-L84 VanDerWaalsContact O-CB 3.28Å; G31-L84 WeakPolarHBondContact O-CB 3.12Å; G31-L84 WeakPolarHBondContact O-CD1 3.44Å; G31-L84 WeakPolarHBondContact O-CG 3.13Å | ||
| 32 | L | 97.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -73 | 148 | -177.4 | -63.1 | 176.8 | 0 | 0 | 0 | 112.2 | N27 T30 A42 L88 T118 | N27-L32 WeakPolarHBondContact CB-O 3.32Å; N27-L32 PolarHBondContact N-O 3.09Å; T30-L32 PolarHBondContact O-N 2.83Å; T30-L32 PolarHBondContact OG1-N 2.84Å; L32-A42 HydrophobicContact CB-CB 4Å; L32-A42 HydrophobicContact CD1-CB 4.16Å; L32-A42 HydrophobicContact CG-CB 4.47Å; L32-L88 HydrophobicContact CD2-CD2 3.6Å; L32-L88 HydrophobicContact CD2-CG 3.86Å; L32-T118 HydrophobicContact CB-CG2 4.06Å |
| 33 | L | 96.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -102.4 | 134.3 | 172.3 | -67.7 | 164.5 | 0 | 0 | 0 | 109.8 | I22 H25 Q26 A42 N47 L84 | I22-L33 HydrophobicContact CG2-CD1 3.93Å; I22-L33 HydrophobicContact CG2-CD2 4.3Å; I22-L33 WeakPolarHBondContact O-CD2 3.2Å; H25-L33 HydrophobicContact CB-CD2 4.2Å; Q26-L33 HydrophobicContact CB-CD2 3.83Å; Q26-L33 HydrophobicContact CG-CD2 4.3Å; L33-A42 WeakPolarHBondContact O-CA 3.49Å; L33-A42 VanDerWaalsContact O-CB 3.26Å; L33-A42 WeakPolarHBondContact O-CB 3.36Å; L33-N47 WeakPolarHBondContact CB-OD1 3.41Å; L33-N47 PolarHBondContact N-OD1 3.11Å; L33-N47 PolarHBondContact O-ND2 3.45Å; L33-N47 PolarHBondContact O-OD1 3.21Å; L33-L84 HydrophobicContact CD1-CD1 3.58Å; L33-L84 HydrophobicContact CG-CD1 3.8Å |
| 34 | P | 94.4 | Very high | 92.3 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 156.3 | 165.3 | 32.4 | -34.9 | 0 | 0 | 0 | 109.7 | H25 S36 D41 M401 | H25-P34 HydrophobicContact CB-CG 4.18Å; H25-P34 VanDerWaalsContact O-CD 3.25Å; H25-P34 WeakPolarHBondContact O-CD 3.44Å; P34-S36 VanDerWaalsContact C-N 3.3Å; P34-S36 PolarHBondContact O-N 2.94Å; P34-D41 CarbonylContact C-O 3.57Å; P34-D41 WeakPolarHBondContact CA-O 3.49Å; P34-M401 WeakPolarHBondContact O-CE 3.48Å |
| 35 | A | 84.7 | Confident | 92.4 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -63.7 | -37.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | K39 D41 W43 Q397 M401 | A35-K39 HydrophobicContact CB-CB 4Å; A35-K39 PolarHBondContact N-O 3.23Å; A35-K39 VanDerWaalsContact N-O 3.17Å; A35-D41 PolarHBondContact N-O 2.85Å; A35-W43 HydrophobicContact CB-CD2 4.41Å; A35-W43 HydrophobicContact CB-CE3 3.56Å; A35-W43 HydrophobicContact CB-CZ3 3.8Å; A35-Q397 PolarHBondContact O-OE1 2.84Å; A35-Q397 VanDerWaalsContact O-OE1 3.05Å; A35-M401 WeakPolarHBondContact O-CE 3.42Å |
| 36 | S | 84.1 | Confident | 92.5 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -158.5 | 178.6 | 172 | 76.4 | 0 | 0 | 0 | 0 | 112.3 | P34 Q38 K39 | P34-S36 VanDerWaalsContact C-N 3.3Å; P34-S36 PolarHBondContact O-N 2.94Å; S36-Q38 PolarHBondContact O-N 3.18Å; S36-Q38 PolarHBondContact OG-N 3.45Å; S36-Q38 PolarHBondContact OG-OE1 2.76Å; S36-K39 PolarHBondContact N-O 3.16Å; S36-K39 CarbonylContact O-C 3.38Å; S36-K39 VanDerWaalsContact O-C 3.3Å; S36-K39 PolarHBondContact O-N 3.06Å; S36-K39 PolarHBondContact OG-N 3.41Å |
| 37 | I | 78.8 | Confident | 92.5 | Very high | 109 Ų | 109 | 42.9 Ų | 42.9 | 56% | 0.559 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -59.1 | -35.2 | 173.7 | -61.3 | 173.4 | 0 | 0 | 0 | 111 | ||
| 38 | Q | 80.1 | Confident | 92.6 | Very high | 150 Ų | 150 | 41.4 Ų | 41.4 | 70% | 0.701 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -85 | -39.2 | 179 | -61 | 78.5 | 10.6 | 0 | 0 | 111.8 | S36 | S36-Q38 PolarHBondContact O-N 3.18Å; S36-Q38 PolarHBondContact OG-N 3.45Å; S36-Q38 PolarHBondContact OG-OE1 2.76Å |
| 39 | K | 82.9 | Confident | 92.8 | Very high | 87 Ų | 87 | 36.6 Ų | 36.6 | 38% | 0.378 | 18% | 0.182 | S | C | . | . | trans | -96.9 | 89.8 | 178.8 | -65.3 | -177.3 | -178.7 | 178.3 | 0 | 109.8 | A35 S36 D41 W43 | A35-K39 HydrophobicContact CB-CB 4Å; A35-K39 PolarHBondContact N-O 3.23Å; A35-K39 VanDerWaalsContact N-O 3.17Å; S36-K39 PolarHBondContact N-O 3.16Å; S36-K39 CarbonylContact O-C 3.38Å; S36-K39 VanDerWaalsContact O-C 3.3Å; S36-K39 PolarHBondContact O-N 3.06Å; S36-K39 PolarHBondContact OG-N 3.41Å; K39-D41 VanDerWaalsContact C-N 3.28Å; K39-D41 PolarHBondContact O-N 2.84Å; K39-W43 HydrophobicContact CB-CZ3 4.38Å | ||
| 40 | K | 90.8 | Very high | 92.9 | Very high | 158 Ų | 158 | 31.3 Ų | 31.3 | 69% | 0.687 | 15% | 0.15 | S | C | * | . | trans | -74.3 | -10.6 | -171.2 | -66.4 | -176.4 | 178.8 | 178.9 | 0 | 115.4 | T118 | K40-T118 WeakPolarHBondContact O-CB 3.49Å; K40-T118 PolarHBondContact O-OG1 2.89Å | ||
| 41 | D | 94.4 | Very high | 93 | Very high | 44 Ų | 44 | 30.9 Ų | 30.9 | 24% | 0.235 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 153.2 | 179.7 | -53.7 | -36 | 0 | 0 | 0 | 110.8 | P34 A35 K39 W43 Y116 V124 | P34-D41 CarbonylContact C-O 3.57Å; P34-D41 WeakPolarHBondContact CA-O 3.49Å; A35-D41 PolarHBondContact N-O 2.85Å; K39-D41 VanDerWaalsContact C-N 3.28Å; K39-D41 PolarHBondContact O-N 2.84Å; D41-W43 HydrophobicContact CB-CE3 4.2Å; D41-W43 HydrophobicContact CB-CH2 4.3Å; D41-W43 HydrophobicContact CB-CZ3 3.65Å; D41-W43 VanDerWaalsContact O-CE3 3.31Å; D41-W43 WeakPolarHBondContact O-CZ3 3.32Å; D41-Y116 CarbonylContact C-O 3.56Å; D41-Y116 WeakPolarHBondContact CA-O 3.07Å; D41-Y116 WeakPolarHBondContact CB-O 3.46Å; D41-V124 HydrophobicContact CB-CG2 4.38Å |
| 42 | A | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 111.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L32 L33 K115 Y116 T118 | L32-A42 HydrophobicContact CB-CB 4Å; L32-A42 HydrophobicContact CD1-CB 4.16Å; L32-A42 HydrophobicContact CG-CB 4.47Å; L33-A42 WeakPolarHBondContact O-CA 3.49Å; L33-A42 VanDerWaalsContact O-CB 3.26Å; L33-A42 WeakPolarHBondContact O-CB 3.36Å; A42-K115 CarbonylContact O-C 3.58Å; A42-K115 VanDerWaalsContact O-CA 3.27Å; A42-K115 WeakPolarHBondContact O-CA 3.32Å; A42-Y116 PolarHBondContact N-O 3.06Å; A42-Y116 PolarHBondContact O-N 2.92Å; A42-T118 PolarHBondContact N-OG1 3.32Å |
| 43 | W | 96.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 31 Ų | 31 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136 | 170.4 | -86.1 | -108.6 | 0 | 0 | 0 | 110.1 | A35 K39 D41 R45 D46 N47 K115 W130 E185 | A35-W43 HydrophobicContact CB-CD2 4.41Å; A35-W43 HydrophobicContact CB-CE3 3.56Å; A35-W43 HydrophobicContact CB-CZ3 3.8Å; K39-W43 HydrophobicContact CB-CZ3 4.38Å; D41-W43 HydrophobicContact CB-CE3 4.2Å; D41-W43 HydrophobicContact CB-CH2 4.3Å; D41-W43 HydrophobicContact CB-CZ3 3.65Å; D41-W43 VanDerWaalsContact O-CE3 3.31Å; D41-W43 WeakPolarHBondContact O-CZ3 3.32Å; W43-R45 PolarHBondContact O-N 3.09Å; W43-D46 HydrophobicContact CB-CB 3.99Å; W43-D46 WeakPolarHBondContact CB-OD2 3.49Å; W43-D46 PolarHBondContact O-N 3.36Å; W43-N47 WeakPolarHBondContact O-CB 3.43Å; W43-N47 PolarHBondContact O-N 2.92Å; W43-N47 PolarHBondContact O-ND2 2.84Å; W43-K115 HydrophobicContact CD2-CB 3.72Å; W43-K115 HydrophobicContact CD2-CD 4.29Å; W43-K115 HydrophobicContact CE3-CB 4.14Å; W43-K115 HydrophobicContact CG-CB 4Å; W43-K115 HydrophobicContact CH2-CD 3.74Å; W43-K115 HydrophobicContact CZ2-CB 4.31Å; W43-K115 HydrophobicContact CZ2-CD 3.29Å; W43-K115 HydrophobicContact CZ2-CG 4.42Å; W43-K115 HydrophobicContact CZ3-CD 4.4Å; W43-W130 HydrophobicContact CZ2-CZ2 4.11Å; W43-E185 PolarHBondContact NE1-OE1 2.94Å |
| 44 | V | 97.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57 | -52.3 | -179.1 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | D46 N47 V48 L88 A114 Y116 A137 | V44-D46 PolarHBondContact O-N 3.38Å; V44-N47 PolarHBondContact O-N 2.99Å; V44-V48 HydrophobicContact CG1-CG2 4.49Å; V44-V48 WeakPolarHBondContact O-CG2 3.43Å; V44-V48 PolarHBondContact O-N 3.4Å; V44-L88 HydrophobicContact CB-CD2 4.49Å; V44-L88 HydrophobicContact CG1-CD1 4.42Å; V44-L88 HydrophobicContact CG2-CD2 4.23Å; V44-A114 PolarHBondContact N-O 3.24Å; V44-Y116 HydrophobicContact CG2-CD2 4.18Å; V44-Y116 HydrophobicContact CG2-CE2 3.59Å; V44-A137 HydrophobicContact CB-CB 4.21Å; V44-A137 HydrophobicContact CG1-CB 4.36Å; V44-A137 WeakPolarHBondContact CG1-O 3.35Å |
| 45 | R | 96.6 | Very high | 93.4 | Very high | 12 Ų | 12 | 30 Ų | 30 | 5% | 0.045 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.3 | -53.5 | -179.4 | 178.4 | 176.4 | 57.2 | -107.5 | -10.2 | 111.9 | W43 N47 V48 Y49 D136 A137 M183 W402 | W43-R45 PolarHBondContact O-N 3.09Å; R45-N47 VanDerWaalsContact C-N 3.29Å; R45-N47 PolarHBondContact O-N 2.96Å; R45-V48 PolarHBondContact O-N 3.15Å; R45-Y49 HydrophobicContact CG-CD2 3.61Å; R45-Y49 HydrophobicContact CG-CE2 3.7Å; R45-Y49 WeakPolarHBondContact O-CD2 3.35Å; R45-Y49 PolarHBondContact O-N 3.43Å; R45-D136 WeakPolarHBondContact CD-OD2 3.3Å; R45-D136 IonicContact CZ-OD2 3.69Å; R45-D136 IonicContact NH1-OD1 3.87Å; R45-D136 IonicContact NH1-OD2 2.73Å; R45-D136 PolarHBondContact NH1-OD2 3.08Å; R45-A137 HydrophobicContact CB-CB 4.27Å; R45-M183 PolarHBondContact NH1-O 2.98Å; R45-M183 PolarHBondContact NH2-O 3.48Å; R45-W402 HydrophobicContact CG-CZ3 4.48Å |
| 46 | D | 95.5 | Very high | 94 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.3 | -38.9 | -178.3 | -63.2 | -128.9 | 0 | 0 | 0 | 111.8 | W43 V44 S50 | W43-D46 HydrophobicContact CB-CB 3.99Å; W43-D46 WeakPolarHBondContact CB-OD2 3.49Å; W43-D46 PolarHBondContact O-N 3.36Å; V44-D46 PolarHBondContact O-N 3.38Å; D46-S50 WeakPolarHBondContact O-CB 3.32Å; D46-S50 PolarHBondContact O-N 3.02Å; D46-S50 PolarHBondContact O-OG 3.36Å |
| 47 | N | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.7 | -49.5 | 175.9 | -89.1 | -101.9 | 0 | 0 | 0 | 111.7 | L33 W43 V44 R45 S50 V51 L84 L88 | L33-N47 WeakPolarHBondContact CB-OD1 3.41Å; L33-N47 PolarHBondContact N-OD1 3.11Å; L33-N47 PolarHBondContact O-ND2 3.45Å; L33-N47 PolarHBondContact O-OD1 3.21Å; W43-N47 WeakPolarHBondContact O-CB 3.43Å; W43-N47 PolarHBondContact O-N 2.92Å; W43-N47 PolarHBondContact O-ND2 2.84Å; V44-N47 PolarHBondContact O-N 2.99Å; R45-N47 VanDerWaalsContact C-N 3.29Å; R45-N47 PolarHBondContact O-N 2.96Å; N47-S50 PolarHBondContact O-N 3.08Å; N47-V51 WeakPolarHBondContact O-CB 3.44Å; N47-V51 PolarHBondContact O-N 2.98Å; N47-L84 HydrophobicContact CB-CD1 4.39Å; N47-L84 HydrophobicContact CB-CD2 4.04Å; N47-L88 HydrophobicContact CB-CD1 3.96Å; N47-L88 HydrophobicContact CB-CD2 4.17Å; N47-L88 HydrophobicContact CB-CG 4.44Å |
| 48 | V | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | -179.5 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | V44 R45 V51 L52 M85 L88 I140 Y141 M144 | V44-V48 HydrophobicContact CG1-CG2 4.49Å; V44-V48 WeakPolarHBondContact O-CG2 3.43Å; V44-V48 PolarHBondContact O-N 3.4Å; R45-V48 PolarHBondContact O-N 3.15Å; V48-V51 WeakPolarHBondContact O-CG1 3.47Å; V48-L52 WeakPolarHBondContact O-CG 3.49Å; V48-M85 HydrophobicContact CG2-SD 4.27Å; V48-L88 HydrophobicContact CG2-CD1 3.63Å; V48-I140 HydrophobicContact CB-CG2 4.44Å; V48-I140 HydrophobicContact CG1-CG1 3.85Å; V48-I140 HydrophobicContact CG1-CG2 4.42Å; V48-Y141 HydrophobicContact CG2-CD2 4.24Å; V48-M144 HydrophobicContact CG1-CB 3.75Å; V48-M144 HydrophobicContact CG1-CG 3.52Å |
| 49 | Y | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.016 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.9 | -39.9 | 176.6 | -84.1 | -67.5 | 0 | 0 | 0 | 113 | R45 V51 L52 I140 P266 Y334 W402 S405 L406 | R45-Y49 HydrophobicContact CG-CD2 3.61Å; R45-Y49 HydrophobicContact CG-CE2 3.7Å; R45-Y49 WeakPolarHBondContact O-CD2 3.35Å; R45-Y49 PolarHBondContact O-N 3.43Å; Y49-V51 VanDerWaalsContact C-N 3.3Å; Y49-V51 PolarHBondContact O-N 3.09Å; Y49-L52 HydrophobicContact CD1-CD1 3.95Å; Y49-L52 WeakPolarHBondContact O-CB 3.38Å; Y49-L52 WeakPolarHBondContact O-CG 3.34Å; Y49-L52 PolarHBondContact O-N 3.1Å; Y49-I140 HydrophobicContact CE2-CG1 4.25Å; Y49-P266 HydrophobicContact CE1-CG 4.14Å; Y49-Y334 VanDerWaalsContact CE1-OH 3.25Å; Y49-Y334 WeakPolarHBondContact CE1-OH 3.35Å; Y49-Y334 VanDerWaalsContact CZ-OH 3.27Å; Y49-Y334 PolarHBondContact OH-OH 2.9Å; Y49-W402 AromaticContact CD1-CD1 3.73Å; Y49-W402 AromaticContact CD1-NE1 3.39Å; Y49-W402 HydrophobicContact CD2-CD2 4Å; Y49-W402 AromaticContact CD2-CE2 3.56Å; Y49-W402 HydrophobicContact CD2-CG 4.29Å; Y49-W402 AromaticContact CD2-CZ2 3.86Å; Y49-W402 HydrophobicContact CD2-CZ2 3.86Å; Y49-W402 AromaticContact CD2-NE1 3.62Å; Y49-W402 AromaticContact CE1-NE1 3.75Å; Y49-W402 AromaticContact CE2-CE2 3.77Å; Y49-W402 HydrophobicContact CE2-CH2 4.29Å; Y49-W402 AromaticContact CE2-CZ2 3.6Å; Y49-W402 HydrophobicContact CE2-CZ2 3.6Å; Y49-W402 AromaticContact CE2-NE1 3.96Å; Y49-W402 AromaticContact CG-CD1 3.45Å; Y49-W402 VanDerWaalsContact CG-CD1 3.45Å; Y49-W402 HydrophobicContact CG-CD2 4.17Å; Y49-W402 AromaticContact CG-CE2 3.77Å; Y49-W402 AromaticContact CG-CG 4Å; Y49-W402 HydrophobicContact CG-CG 4Å; Y49-W402 HydrophobicContact CG-CZ2 4.45Å; Y49-W402 AromaticContact CG-NE1 3.31Å; Y49-W402 VanDerWaalsContact CG-NE1 3.31Å; Y49-W402 AromaticContact CZ-CZ2 3.99Å; Y49-S405 VanDerWaalsContact O-CB 3.24Å; Y49-S405 WeakPolarHBondContact O-CB 3.41Å; Y49-S405 PolarHBondContact O-OG 2.88Å; Y49-L406 HydrophobicContact CD1-CD2 4.22Å |
| 50 | S | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.6 | -33.4 | -178.9 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | D46 N47 L52 M401 W402 S405 | D46-S50 WeakPolarHBondContact O-CB 3.32Å; D46-S50 PolarHBondContact O-N 3.02Å; D46-S50 PolarHBondContact O-OG 3.36Å; N47-S50 PolarHBondContact O-N 3.08Å; S50-L52 VanDerWaalsContact C-N 3.27Å; S50-L52 PolarHBondContact O-N 3.44Å; S50-M401 WeakPolarHBondContact OG-CB 3.38Å; S50-W402 PolarHBondContact OG-N 2.98Å; S50-S405 PolarHBondContact O-OG 3.09Å |
| 51 | V | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.006 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -75.1 | -14.8 | -179.3 | 91.2 | 0 | 0 | 0 | 0 | 113.1 | N47 V48 Y49 A53 V54 W55 V81 L84 M85 M148 | N47-V51 WeakPolarHBondContact O-CB 3.44Å; N47-V51 PolarHBondContact O-N 2.98Å; V48-V51 WeakPolarHBondContact O-CG1 3.47Å; Y49-V51 VanDerWaalsContact C-N 3.3Å; Y49-V51 PolarHBondContact O-N 3.09Å; V51-A53 VanDerWaalsContact C-N 3.32Å; V51-A53 PolarHBondContact O-N 3.15Å; V51-V54 HydrophobicContact CG2-CB 4.28Å; V51-V54 HydrophobicContact CG2-CG2 4.44Å; V51-V54 WeakPolarHBondContact O-CB 3.27Å; V51-V54 PolarHBondContact O-N 3.47Å; V51-W55 PolarHBondContact O-N 3.45Å; V51-V81 HydrophobicContact CG1-CG1 4.34Å; V51-V81 HydrophobicContact CG2-CB 4.16Å; V51-V81 HydrophobicContact CG2-CG1 4.15Å; V51-V81 HydrophobicContact CG2-CG2 3.93Å; V51-L84 HydrophobicContact CB-CD1 4.02Å; V51-L84 HydrophobicContact CB-CD2 4.15Å; V51-L84 HydrophobicContact CG1-CD2 4.2Å; V51-L84 HydrophobicContact CG2-CB 4.2Å; V51-L84 HydrophobicContact CG2-CD1 3.93Å; V51-L84 HydrophobicContact CG2-CD2 4.34Å; V51-L84 HydrophobicContact CG2-CG 4.38Å; V51-M85 HydrophobicContact CG1-SD 4.46Å; V51-M148 HydrophobicContact CG1-CE 3.81Å |
| 52 | L | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 8.9 Ų | 8.9 | 1% | 0.01 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.4 | -36.9 | 179.1 | -58.6 | -175.4 | 0 | 0 | 0 | 113.1 | V48 Y49 S50 V54 W55 G56 M144 M148 F265 L406 V409 | V48-L52 WeakPolarHBondContact O-CG 3.49Å; Y49-L52 HydrophobicContact CD1-CD1 3.95Å; Y49-L52 WeakPolarHBondContact O-CB 3.38Å; Y49-L52 WeakPolarHBondContact O-CG 3.34Å; Y49-L52 PolarHBondContact O-N 3.1Å; S50-L52 VanDerWaalsContact C-N 3.27Å; S50-L52 PolarHBondContact O-N 3.44Å; L52-V54 VanDerWaalsContact C-N 3.33Å; L52-W55 HydrophobicContact CD2-CE3 4.09Å; L52-W55 HydrophobicContact CD2-CZ3 4.45Å; L52-W55 PolarHBondContact O-N 2.67Å; L52-G56 PolarHBondContact O-N 2.9Å; L52-M144 HydrophobicContact CD1-SD 4.36Å; L52-M144 HydrophobicContact CD2-CG 4.05Å; L52-M144 HydrophobicContact CD2-SD 3.5Å; L52-M144 WeakPolarHBondContact CD2-SD 3.5Å; L52-M148 HydrophobicContact CD2-CE 3.89Å; L52-F265 HydrophobicContact CD1-CE1 4.05Å; L52-F265 HydrophobicContact CD1-CZ 4.22Å; L52-L406 HydrophobicContact CD1-CD2 4.24Å; L52-V409 HydrophobicContact CB-CG2 4.25Å |
| 53 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.2 | -34.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V18 I22 V51 L57 S405 I408 V409 | V18-A53 HydrophobicContact CG2-CB 4.34Å; I22-A53 HydrophobicContact CD1-CB 3.97Å; V51-A53 VanDerWaalsContact C-N 3.32Å; V51-A53 PolarHBondContact O-N 3.15Å; A53-L57 WeakPolarHBondContact O-CB 3.45Å; A53-L57 PolarHBondContact O-N 3.2Å; A53-S405 WeakPolarHBondContact CB-OG 3.45Å; A53-S405 PolarHBondContact N-OG 3.04Å; A53-I408 HydrophobicContact CB-CB 3.93Å; A53-I408 HydrophobicContact CB-CD1 4.21Å; A53-I408 HydrophobicContact CB-CG2 3.95Å; A53-V409 HydrophobicContact CB-CG2 4.38Å |
| 54 | V | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68 | -46.9 | 175.9 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | V18 I22 L23 V51 L52 L57 G58 L77 V81 | V18-V54 HydrophobicContact CG1-CG2 3.81Å; I22-V54 HydrophobicContact CG2-CG2 4.2Å; L23-V54 HydrophobicContact CD1-CG1 4.31Å; L23-V54 HydrophobicContact CD2-CG1 4.12Å; L23-V54 HydrophobicContact CD2-CG2 3.82Å; L23-V54 HydrophobicContact CG-CG2 4.06Å; V51-V54 HydrophobicContact CG2-CB 4.28Å; V51-V54 HydrophobicContact CG2-CG2 4.44Å; V51-V54 WeakPolarHBondContact O-CB 3.27Å; V51-V54 PolarHBondContact O-N 3.47Å; L52-V54 VanDerWaalsContact C-N 3.33Å; V54-L57 PolarHBondContact O-N 2.77Å; V54-G58 PolarHBondContact O-N 3.3Å; V54-L77 HydrophobicContact CG1-CB 4.16Å; V54-L77 HydrophobicContact CG1-CD2 3.9Å; V54-L77 WeakPolarHBondContact CG1-O 3.23Å; V54-V81 HydrophobicContact CB-CG2 4.02Å; V54-V81 HydrophobicContact CG1-CG2 3.83Å |
| 55 | W | 98.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.6 | -51.1 | 176.2 | 173.9 | 50.6 | 0 | 0 | 0 | 111.9 | V51 L52 L57 G58 M59 V81 Q147 M148 S151 I423 | V51-W55 PolarHBondContact O-N 3.45Å; L52-W55 HydrophobicContact CD2-CE3 4.09Å; L52-W55 HydrophobicContact CD2-CZ3 4.45Å; L52-W55 PolarHBondContact O-N 2.67Å; W55-L57 VanDerWaalsContact C-N 3.33Å; W55-L57 PolarHBondContact O-N 2.68Å; W55-G58 WeakPolarHBondContact O-CA 3.42Å; W55-G58 PolarHBondContact O-N 2.81Å; W55-G58 VanDerWaalsContact O-N 3.1Å; W55-M59 WeakPolarHBondContact O-CG 3.41Å; W55-M59 PolarHBondContact O-N 2.8Å; W55-V81 HydrophobicContact CB-CG1 4.28Å; W55-V81 HydrophobicContact CB-CG2 3.82Å; W55-Q147 HydrophobicContact CH2-CB 4.06Å; W55-M148 HydrophobicContact CB-CE 4.27Å; W55-M148 HydrophobicContact CD2-CE 4.19Å; W55-M148 HydrophobicContact CD2-CG 3.99Å; W55-M148 HydrophobicContact CE3-CE 4.14Å; W55-M148 HydrophobicContact CE3-CG 4.43Å; W55-M148 HydrophobicContact CG-CE 4.26Å; W55-M148 HydrophobicContact CG-CG 4.29Å; W55-M148 HydrophobicContact CZ2-CG 4.23Å; W55-S151 PolarHBondContact NE1-OG 3.21Å; W55-S151 VanDerWaalsContact NE1-OG 3.17Å; W55-I423 HydrophobicContact CH2-CB 4.1Å; W55-I423 WeakPolarHBondContact CH2-O 3Å; W55-I423 HydrophobicContact CZ3-CB 4.01Å; W55-I423 HydrophobicContact CZ3-CG2 4.29Å |
| 56 | G | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L52 M59 A60 L418 | L52-G56 PolarHBondContact O-N 2.9Å; G56-M59 PolarHBondContact O-N 3.23Å; G56-A60 WeakPolarHBondContact O-CB 3.36Å; G56-A60 PolarHBondContact O-N 2.91Å; G56-L418 WeakPolarHBondContact O-CD1 3.47Å |
| 57 | L | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66 | -39.9 | 174.4 | -177.2 | 62.9 | 0 | 0 | 0 | 112 | L11 A15 V18 A53 V54 W55 A60 Y61 L77 L412 | L11-L57 HydrophobicContact CD2-CD1 4.1Å; A15-L57 HydrophobicContact CB-CD2 4.01Å; V18-L57 HydrophobicContact CB-CD2 4.15Å; V18-L57 HydrophobicContact CG2-CD2 3.9Å; A53-L57 WeakPolarHBondContact O-CB 3.45Å; A53-L57 PolarHBondContact O-N 3.2Å; V54-L57 PolarHBondContact O-N 2.77Å; W55-L57 VanDerWaalsContact C-N 3.33Å; W55-L57 PolarHBondContact O-N 2.68Å; L57-A60 PolarHBondContact O-N 2.97Å; L57-Y61 HydrophobicContact CD1-CD2 3.95Å; L57-Y61 HydrophobicContact CD1-CE2 3.7Å; L57-Y61 HydrophobicContact CD2-CE2 4.17Å; L57-Y61 HydrophobicContact CG-CD2 3.89Å; L57-Y61 HydrophobicContact CG-CE2 3.79Å; L57-Y61 WeakPolarHBondContact O-CD2 3.41Å; L57-Y61 PolarHBondContact O-N 2.79Å; L57-L77 HydrophobicContact CB-CD1 4.3Å; L57-L77 HydrophobicContact CD2-CD1 3.9Å; L57-L77 HydrophobicContact CD2-CD2 4.45Å; L57-L77 HydrophobicContact CG-CD1 3.78Å; L57-L412 HydrophobicContact CB-CD1 4.31Å; L57-L412 HydrophobicContact CD1-CD2 4.39Å |
| 58 | G | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.7 | -47.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | V54 W55 A60 Y61 R62 | V54-G58 PolarHBondContact O-N 3.3Å; W55-G58 WeakPolarHBondContact O-CA 3.42Å; W55-G58 PolarHBondContact O-N 2.81Å; W55-G58 VanDerWaalsContact O-N 3.1Å; G58-A60 PolarHBondContact O-N 3.32Å; G58-Y61 PolarHBondContact O-N 2.65Å; G58-R62 WeakPolarHBondContact O-CB 3.38Å; G58-R62 PolarHBondContact O-N 3.25Å |
| 59 | M | 96.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 174.4 | -65.6 | -54.2 | 86.2 | 0 | 0 | 112.1 | W55 G56 Y61 R62 K63 E78 L153 L418 | W55-M59 WeakPolarHBondContact O-CG 3.41Å; W55-M59 PolarHBondContact O-N 2.8Å; G56-M59 PolarHBondContact O-N 3.23Å; M59-Y61 PolarHBondContact O-N 3.44Å; M59-R62 WeakPolarHBondContact O-CB 3.29Å; M59-R62 PolarHBondContact O-N 3.34Å; M59-K63 WeakPolarHBondContact O-CB 3.14Å; M59-K63 PolarHBondContact O-N 3.46Å; M59-E78 HydrophobicContact CE-CG 3.91Å; M59-E78 WeakPolarHBondContact CE-OE1 3.37Å; M59-L153 HydrophobicContact CE-CD1 4.23Å; M59-L418 HydrophobicContact CB-CD2 3.8Å |
| 60 | A | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L11 G56 L57 G58 N64 L412 F417 L418 | L11-A60 HydrophobicContact CD2-CB 3.89Å; G56-A60 WeakPolarHBondContact O-CB 3.36Å; G56-A60 PolarHBondContact O-N 2.91Å; L57-A60 PolarHBondContact O-N 2.97Å; G58-A60 PolarHBondContact O-N 3.32Å; A60-N64 WeakPolarHBondContact O-CB 3.37Å; A60-N64 PolarHBondContact O-N 3.09Å; A60-N64 PolarHBondContact O-ND2 2.81Å; A60-L412 HydrophobicContact CB-CD2 4.43Å; A60-F417 HydrophobicContact CB-CB 4.25Å; A60-L418 HydrophobicContact CB-CD2 3.96Å; A60-L418 HydrophobicContact CB-CG 4.12Å |
| 61 | Y | 94.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -45.1 | 172.3 | -85.8 | -70.7 | 0 | 0 | 0 | 111.6 | L11 D12 A15 L57 G58 M59 K63 N64 A65 D70 K73 L77 | L11-Y61 HydrophobicContact CB-CD1 4.42Å; L11-Y61 HydrophobicContact CB-CE1 3.79Å; L11-Y61 HydrophobicContact CB-CE2 4.29Å; L11-Y61 HydrophobicContact CD1-CD1 4.16Å; L11-Y61 HydrophobicContact CD1-CE1 4.3Å; L11-Y61 PolarHBondContact O-OH 2.88Å; D12-Y61 WeakPolarHBondContact CA-OH 3.32Å; D12-Y61 PolarHBondContact N-OH 3.24Å; D12-Y61 PolarHBondContact OD1-OH 3.48Å; A15-Y61 HydrophobicContact CB-CE2 4.17Å; A15-Y61 WeakPolarHBondContact CB-OH 3.49Å; L57-Y61 HydrophobicContact CD1-CD2 3.95Å; L57-Y61 HydrophobicContact CD1-CE2 3.7Å; L57-Y61 HydrophobicContact CD2-CE2 4.17Å; L57-Y61 HydrophobicContact CG-CD2 3.89Å; L57-Y61 HydrophobicContact CG-CE2 3.79Å; L57-Y61 WeakPolarHBondContact O-CD2 3.41Å; L57-Y61 PolarHBondContact O-N 2.79Å; G58-Y61 PolarHBondContact O-N 2.65Å; M59-Y61 PolarHBondContact O-N 3.44Å; Y61-K63 VanDerWaalsContact C-N 3.29Å; Y61-K63 PolarHBondContact O-N 2.98Å; Y61-N64 CarbonylContact O-C 3.55Å; Y61-N64 PolarHBondContact O-N 2.93Å; Y61-A65 WeakPolarHBondContact O-CA 3.45Å; Y61-A65 VanDerWaalsContact O-CB 3.22Å; Y61-A65 WeakPolarHBondContact O-CB 3.48Å; Y61-A65 PolarHBondContact O-N 2.93Å; Y61-D70 HydrophobicContact CD1-CB 4.14Å; Y61-K73 HydrophobicContact CE1-CD 4.08Å; Y61-L77 HydrophobicContact CD2-CD1 3.72Å; Y61-L77 HydrophobicContact CE2-CD1 4.04Å |
| 62 | R | 91.6 | Very high | 90.9 | Very high | 103 Ų | 103 | 43 Ų | 43 | 39% | 0.389 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.9 | -43.6 | 178.7 | -171.1 | -168.2 | -74.2 | -173 | -10.7 | 111.7 | G58 M59 A74 E78 S151 | G58-R62 WeakPolarHBondContact O-CB 3.38Å; G58-R62 PolarHBondContact O-N 3.25Å; M59-R62 WeakPolarHBondContact O-CB 3.29Å; M59-R62 PolarHBondContact O-N 3.34Å; R62-A74 HydrophobicContact CB-CB 4.29Å; R62-E78 IonicContact CZ-OE1 2.83Å; R62-E78 IonicContact CZ-OE2 3.27Å; R62-E78 IonicContact NE-OE1 2.65Å; R62-E78 PolarHBondContact NE-OE1 2.89Å; R62-E78 IonicContact NE-OE2 2.81Å; R62-E78 IonicContact NH2-OE1 3.3Å; R62-E78 PolarHBondContact NH2-OE1 2.95Å; R62-E78 IonicContact NH2-OE2 3.64Å; R62-E78 PolarHBondContact NH2-OE2 3.32Å; R62-S151 PolarHBondContact NH1-O 2.89Å |
| 63 | K | 89.4 | Confident | 90.7 | Very high | 96 Ų | 96 | 45.6 Ų | 45.6 | 42% | 0.417 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.6 | -43.1 | 178.4 | -174.4 | -163.3 | -159.8 | 160.9 | 0 | 113.4 | M59 Y61 F417 E422 | M59-K63 WeakPolarHBondContact O-CB 3.14Å; M59-K63 PolarHBondContact O-N 3.46Å; Y61-K63 VanDerWaalsContact C-N 3.29Å; Y61-K63 PolarHBondContact O-N 2.98Å; K63-F417 WeakPolarHBondContact CD-O 3.43Å; K63-E422 WeakPolarHBondContact CD-OE1 3.19Å; K63-E422 WeakPolarHBondContact CE-OE1 3.41Å; K63-E422 WeakPolarHBondContact CG-OE1 3.43Å; K63-E422 IonicContact NZ-OE1 2.65Å; K63-E422 PolarHBondContact NZ-OE1 2.69Å; K63-E422 IonicContact NZ-OE2 2.64Å; K63-E422 PolarHBondContact NZ-OE2 3.25Å |
| 64 | N | 85.2 | Confident | 90.5 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 16.5 | -171.4 | -60.3 | -76.7 | 0 | 0 | 0 | 113.2 | L11 A60 Y61 D66 F417 | L11-N64 HydrophobicContact CD1-CB 4.02Å; A60-N64 WeakPolarHBondContact O-CB 3.37Å; A60-N64 PolarHBondContact O-N 3.09Å; A60-N64 PolarHBondContact O-ND2 2.81Å; Y61-N64 CarbonylContact O-C 3.55Å; Y61-N64 PolarHBondContact O-N 2.93Å; N64-D66 PolarHBondContact O-N 2.92Å; N64-D66 VanDerWaalsContact O-N 3.11Å; N64-F417 PolarHBondContact ND2-O 2.84Å |
| 65 | A | 79.1 | Confident | 90.3 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 22% | 0.223 | 25% | 0.25 | C | C | . | . | trans | -69.1 | 107.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y61 D70 K71 | Y61-A65 WeakPolarHBondContact O-CA 3.45Å; Y61-A65 VanDerWaalsContact O-CB 3.22Å; Y61-A65 WeakPolarHBondContact O-CB 3.48Å; Y61-A65 PolarHBondContact O-N 2.93Å; A65-D70 HydrophobicContact CB-CB 4.04Å; A65-K71 HydrophobicContact CB-CG 3.72Å | ||
| 66 | D | 76.7 | Confident | 90.2 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | trans | -90.6 | -19.7 | 174.6 | -70 | -35.4 | 0 | 0 | 0 | 112.2 | S5 N64 | S5-D66 WeakPolarHBondContact CB-OD2 3.06Å; S5-D66 PolarHBondContact OG-OD2 3.18Å; N64-D66 PolarHBondContact O-N 2.92Å; N64-D66 VanDerWaalsContact O-N 3.11Å | ||
| 67 | R | 79.9 | Confident | 90.2 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -135 | 158.5 | -174.5 | -59.6 | -177.8 | 177.8 | -171.3 | -1 | 111.7 | R2 E69 D70 K71 | R2-R67 PolarHBondContact O-NH2 2.64Å; R2-R67 VanDerWaalsContact O-NH2 3.16Å; R67-E69 PolarHBondContact O-N 2.73Å; R67-D70 PolarHBondContact N-OD2 3.42Å; R67-D70 WeakPolarHBondContact O-CB 3.25Å; R67-D70 PolarHBondContact O-N 3.22Å; R67-K71 PolarHBondContact O-N 2.86Å |
| 68 | D | 82.4 | Confident | 90.2 | Very high | 128 Ų | 128 | 60.2 Ų | 60.2 | 68% | 0.684 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.4 | -30.1 | 174.2 | -64.1 | -30.3 | 0 | 0 | 0 | 112.4 | D70 K71 A72 | D68-D70 VanDerWaalsContact C-N 3.29Å; D68-D70 PolarHBondContact O-N 3.03Å; D68-K71 PolarHBondContact O-N 3.06Å; D68-K71 IonicContact OD1-NZ 3.89Å; D68-A72 WeakPolarHBondContact O-CB 3.48Å; D68-A72 PolarHBondContact O-N 2.86Å |
| 69 | E | 85.2 | Confident | 90.2 | Very high | 110 Ų | 110 | 64.1 Ų | 64.1 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.6 | -39.5 | 170.9 | -68.7 | 176.1 | -168 | 0 | 0 | 112.5 | R4 R67 A72 K73 | R4-E69 IonicContact CZ-OE2 3.39Å; R4-E69 IonicContact NH2-OE2 3.59Å; R4-E69 PolarHBondContact NH2-OE2 2.98Å; R67-E69 PolarHBondContact O-N 2.73Å; E69-A72 PolarHBondContact O-N 3.1Å; E69-K73 WeakPolarHBondContact O-CG 3.31Å; E69-K73 PolarHBondContact O-N 2.91Å |
| 70 | D | 86.7 | Confident | 90.3 | Very high | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.3 | -34.7 | -177.8 | -55.5 | -35.9 | 0 | 0 | 0 | 110.2 | R4 Y61 A65 R67 D68 K73 A74 | R4-D70 IonicContact CZ-OD1 3.51Å; R4-D70 IonicContact NE-OD1 2.93Å; R4-D70 IonicContact NH2-OD1 3.18Å; R4-D70 PolarHBondContact NH2-OD1 3.3Å; Y61-D70 HydrophobicContact CD1-CB 4.14Å; A65-D70 HydrophobicContact CB-CB 4.04Å; R67-D70 PolarHBondContact N-OD2 3.42Å; R67-D70 WeakPolarHBondContact O-CB 3.25Å; R67-D70 PolarHBondContact O-N 3.22Å; D68-D70 VanDerWaalsContact C-N 3.29Å; D68-D70 PolarHBondContact O-N 3.03Å; D70-K73 PolarHBondContact O-N 3.3Å; D70-A74 PolarHBondContact O-N 3.03Å |
| 71 | K | 88.4 | Confident | 90.4 | Very high | 120 Ų | 120 | 65 Ų | 65 | 52% | 0.522 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 171 | -63.6 | -179.9 | -177.9 | 167.3 | 0 | 112.3 | A65 R67 D68 A74 Y75 | A65-K71 HydrophobicContact CB-CG 3.72Å; R67-K71 PolarHBondContact O-N 2.86Å; D68-K71 PolarHBondContact O-N 3.06Å; D68-K71 IonicContact OD1-NZ 3.89Å; K71-A74 WeakPolarHBondContact O-CB 3.26Å; K71-A74 PolarHBondContact O-N 2.82Å; K71-Y75 PolarHBondContact O-N 2.86Å |
| 72 | A | 91.8 | Very high | 90.6 | Very high | 48 Ų | 48 | 65.3 Ų | 65.3 | 40% | 0.397 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | D68 E69 Y75 E76 | D68-A72 WeakPolarHBondContact O-CB 3.48Å; D68-A72 PolarHBondContact O-N 2.86Å; E69-A72 PolarHBondContact O-N 3.1Å; A72-Y75 PolarHBondContact O-N 3.11Å; A72-E76 WeakPolarHBondContact O-CG 3.25Å; A72-E76 PolarHBondContact O-N 3.23Å |
| 73 | K | 92.8 | Very high | 90.9 | Very high | 58 Ų | 58 | 64.3 Ų | 64.3 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 173.5 | -74.1 | 175.9 | 179.7 | 172.5 | 0 | 112.8 | D12 Y61 E69 D70 Y75 E76 L77 | D12-K73 IonicContact OD1-NZ 3.5Å; D12-K73 PolarHBondContact OD1-NZ 2.84Å; Y61-K73 HydrophobicContact CE1-CD 4.08Å; E69-K73 WeakPolarHBondContact O-CG 3.31Å; E69-K73 PolarHBondContact O-N 2.91Å; D70-K73 PolarHBondContact O-N 3.3Å; K73-Y75 VanDerWaalsContact C-N 3.3Å; K73-Y75 PolarHBondContact O-N 3.29Å; K73-E76 PolarHBondContact O-N 3.38Å; K73-L77 VanDerWaalsContact O-CG 3.28Å; K73-L77 WeakPolarHBondContact O-CG 3.47Å; K73-L77 PolarHBondContact O-N 3.45Å |
| 74 | A | 94.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56 | -49 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R62 D70 K71 E76 L77 E78 | R62-A74 HydrophobicContact CB-CB 4.29Å; D70-A74 PolarHBondContact O-N 3.03Å; K71-A74 WeakPolarHBondContact O-CB 3.26Å; K71-A74 PolarHBondContact O-N 2.82Å; A74-E76 PolarHBondContact O-N 3.36Å; A74-L77 PolarHBondContact O-N 3.28Å; A74-E78 WeakPolarHBondContact O-CB 3.46Å; A74-E78 WeakPolarHBondContact O-CG 3.48Å; A74-E78 PolarHBondContact O-N 3.27Å |
| 75 | Y | 94.9 | Very high | 92 | Very high | 139 Ų | 139 | 57.5 Ų | 57.5 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 178.5 | -178 | -100.5 | 0 | 0 | 0 | 112.5 | K71 A72 K73 L77 E78 Q79 | K71-Y75 PolarHBondContact O-N 2.86Å; A72-Y75 PolarHBondContact O-N 3.11Å; K73-Y75 VanDerWaalsContact C-N 3.3Å; K73-Y75 PolarHBondContact O-N 3.29Å; Y75-L77 PolarHBondContact O-N 2.76Å; Y75-E78 PolarHBondContact O-N 2.81Å; Y75-Q79 HydrophobicContact CD1-CG 4.09Å; Y75-Q79 HydrophobicContact CD2-CG 4.41Å; Y75-Q79 HydrophobicContact CE1-CG 3.67Å; Y75-Q79 HydrophobicContact CE2-CG 4.01Å; Y75-Q79 HydrophobicContact CG-CG 4.45Å; Y75-Q79 VanDerWaalsContact O-CG 3.32Å; Y75-Q79 WeakPolarHBondContact O-CG 3.19Å; Y75-Q79 PolarHBondContact O-N 3.39Å |
| 76 | E | 96.3 | Very high | 92.9 | Very high | 130 Ų | 130 | 59.8 Ų | 59.8 | 61% | 0.607 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.8 | -46 | 176.8 | -74.5 | 175.2 | -174 | 0 | 0 | 112.1 | A72 K73 A74 Q79 S80 | A72-E76 WeakPolarHBondContact O-CG 3.25Å; A72-E76 PolarHBondContact O-N 3.23Å; K73-E76 PolarHBondContact O-N 3.38Å; A74-E76 PolarHBondContact O-N 3.36Å; E76-Q79 PolarHBondContact O-N 2.99Å; E76-S80 PolarHBondContact O-N 3.33Å |
| 77 | L | 97.8 | Very high | 93.9 | Very high | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177 | -68.6 | 168.3 | 0 | 0 | 0 | 111.5 | L23 V54 L57 Y61 K73 A74 Y75 Q79 S80 V81 | L23-L77 HydrophobicContact CD1-CD2 3.82Å; V54-L77 HydrophobicContact CG1-CB 4.16Å; V54-L77 HydrophobicContact CG1-CD2 3.9Å; V54-L77 WeakPolarHBondContact CG1-O 3.23Å; L57-L77 HydrophobicContact CB-CD1 4.3Å; L57-L77 HydrophobicContact CD2-CD1 3.9Å; L57-L77 HydrophobicContact CD2-CD2 4.45Å; L57-L77 HydrophobicContact CG-CD1 3.78Å; Y61-L77 HydrophobicContact CD2-CD1 3.72Å; Y61-L77 HydrophobicContact CE2-CD1 4.04Å; K73-L77 VanDerWaalsContact O-CG 3.28Å; K73-L77 WeakPolarHBondContact O-CG 3.47Å; K73-L77 PolarHBondContact O-N 3.45Å; A74-L77 PolarHBondContact O-N 3.28Å; Y75-L77 PolarHBondContact O-N 2.76Å; L77-Q79 PolarHBondContact O-N 2.93Å; L77-S80 WeakPolarHBondContact O-CB 3.34Å; L77-S80 PolarHBondContact O-N 2.67Å; L77-V81 WeakPolarHBondContact O-CG2 3.26Å; L77-V81 PolarHBondContact O-N 2.94Å; L77-V81 VanDerWaalsContact O-N 3.07Å |
| 78 | E | 97.1 | Very high | 94.8 | Very high | 19 Ų | 19 | 50.4 Ų | 50.4 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 177.3 | -71.2 | 167.2 | -164.3 | 0 | 0 | 112.1 | M59 R62 A74 Y75 S80 V81 V82 L153 | M59-E78 HydrophobicContact CE-CG 3.91Å; M59-E78 WeakPolarHBondContact CE-OE1 3.37Å; R62-E78 IonicContact CZ-OE1 2.83Å; R62-E78 IonicContact CZ-OE2 3.27Å; R62-E78 IonicContact NE-OE1 2.65Å; R62-E78 PolarHBondContact NE-OE1 2.89Å; R62-E78 IonicContact NE-OE2 2.81Å; R62-E78 IonicContact NH2-OE1 3.3Å; R62-E78 PolarHBondContact NH2-OE1 2.95Å; R62-E78 IonicContact NH2-OE2 3.64Å; R62-E78 PolarHBondContact NH2-OE2 3.32Å; A74-E78 WeakPolarHBondContact O-CB 3.46Å; A74-E78 WeakPolarHBondContact O-CG 3.48Å; A74-E78 PolarHBondContact O-N 3.27Å; Y75-E78 PolarHBondContact O-N 2.81Å; E78-S80 VanDerWaalsContact C-N 3.33Å; E78-S80 PolarHBondContact O-N 2.95Å; E78-V81 WeakPolarHBondContact O-CB 3.49Å; E78-V81 PolarHBondContact O-N 3.48Å; E78-V81 VanDerWaalsContact O-N 3.14Å; E78-V82 WeakPolarHBondContact O-CG2 3.3Å; E78-V82 PolarHBondContact O-N 2.82Å; E78-L153 HydrophobicContact CG-CD1 4.34Å |
| 79 | Q | 97.3 | Very high | 95.5 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.8 | -34.3 | 175 | -68.7 | -53.8 | -53.9 | 0 | 0 | 112.2 | Y75 E76 L77 V81 V82 K83 | Y75-Q79 HydrophobicContact CD1-CG 4.09Å; Y75-Q79 HydrophobicContact CD2-CG 4.41Å; Y75-Q79 HydrophobicContact CE1-CG 3.67Å; Y75-Q79 HydrophobicContact CE2-CG 4.01Å; Y75-Q79 HydrophobicContact CG-CG 4.45Å; Y75-Q79 VanDerWaalsContact O-CG 3.32Å; Y75-Q79 WeakPolarHBondContact O-CG 3.19Å; Y75-Q79 PolarHBondContact O-N 3.39Å; E76-Q79 PolarHBondContact O-N 2.99Å; L77-Q79 PolarHBondContact O-N 2.93Å; Q79-V81 VanDerWaalsContact C-N 3.3Å; Q79-V81 PolarHBondContact O-N 3.22Å; Q79-V82 PolarHBondContact O-N 3.4Å; Q79-K83 VanDerWaalsContact O-CB 3.25Å; Q79-K83 WeakPolarHBondContact O-CB 3.5Å; Q79-K83 PolarHBondContact O-N 2.96Å |
| 80 | S | 98.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 21% | 0.21 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -37.7 | 169.9 | -93.4 | 0 | 0 | 0 | 0 | 112.4 | Q26 E76 L77 E78 L84 | Q26-S80 PolarHBondContact NE2-O 3.22Å; Q26-S80 PolarHBondContact OE1-OG 2.81Å; E76-S80 PolarHBondContact O-N 3.33Å; L77-S80 WeakPolarHBondContact O-CB 3.34Å; L77-S80 PolarHBondContact O-N 2.67Å; E78-S80 VanDerWaalsContact C-N 3.33Å; E78-S80 PolarHBondContact O-N 2.95Å; S80-L84 PolarHBondContact O-N 2.72Å |
| 81 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -51.9 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | V51 V54 W55 L77 E78 Q79 K83 L84 M85 M148 L153 | V51-V81 HydrophobicContact CG1-CG1 4.34Å; V51-V81 HydrophobicContact CG2-CB 4.16Å; V51-V81 HydrophobicContact CG2-CG1 4.15Å; V51-V81 HydrophobicContact CG2-CG2 3.93Å; V54-V81 HydrophobicContact CB-CG2 4.02Å; V54-V81 HydrophobicContact CG1-CG2 3.83Å; W55-V81 HydrophobicContact CB-CG1 4.28Å; W55-V81 HydrophobicContact CB-CG2 3.82Å; L77-V81 WeakPolarHBondContact O-CG2 3.26Å; L77-V81 PolarHBondContact O-N 2.94Å; L77-V81 VanDerWaalsContact O-N 3.07Å; E78-V81 WeakPolarHBondContact O-CB 3.49Å; E78-V81 PolarHBondContact O-N 3.48Å; E78-V81 VanDerWaalsContact O-N 3.14Å; Q79-V81 VanDerWaalsContact C-N 3.3Å; Q79-V81 PolarHBondContact O-N 3.22Å; V81-K83 VanDerWaalsContact C-N 3.27Å; V81-K83 PolarHBondContact O-N 2.88Å; V81-L84 PolarHBondContact O-N 3.29Å; V81-L84 VanDerWaalsContact O-N 3.15Å; V81-M85 HydrophobicContact CG1-CG 4.42Å; V81-M85 WeakPolarHBondContact O-CG 3.41Å; V81-M85 PolarHBondContact O-N 3.09Å; V81-M148 HydrophobicContact CG1-CE 3.95Å; V81-M148 HydrophobicContact CG1-SD 3.59Å; V81-M148 VanDerWaalsContact CG1-SD 3.59Å; V81-L153 HydrophobicContact CB-CD2 4.07Å; V81-L153 HydrophobicContact CG1-CD2 3.73Å |
| 82 | V | 98.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.5 | -46.5 | 179.1 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | E78 Q79 L84 M85 Q86 L153 Q154 I155 | E78-V82 WeakPolarHBondContact O-CG2 3.3Å; E78-V82 PolarHBondContact O-N 2.82Å; Q79-V82 PolarHBondContact O-N 3.4Å; V82-L84 PolarHBondContact O-N 3.25Å; V82-M85 PolarHBondContact O-N 2.98Å; V82-Q86 HydrophobicContact CG1-CG 4.3Å; V82-Q86 WeakPolarHBondContact O-CB 3.49Å; V82-Q86 WeakPolarHBondContact O-CG 3.42Å; V82-Q86 PolarHBondContact O-N 3.27Å; V82-L153 HydrophobicContact CG2-CB 4.29Å; V82-L153 HydrophobicContact CG2-CD2 4.25Å; V82-L153 HydrophobicContact CG2-CG 4.25Å; V82-Q154 WeakPolarHBondContact CG1-O 3.48Å; V82-I155 HydrophobicContact CG2-CG1 4.2Å |
| 83 | K | 98.1 | Very high | 97.3 | Very high | 82 Ų | 82 | 37.3 Ų | 37.3 | 36% | 0.357 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 179.8 | -166.9 | 175.8 | -169.5 | 157.2 | 0 | 113 | P28 V29 Q79 V81 G87 | P28-K83 WeakPolarHBondContact O-CE 3.28Å; P28-K83 PolarHBondContact O-NZ 2.93Å; V29-K83 WeakPolarHBondContact O-CE 3.47Å; Q79-K83 VanDerWaalsContact O-CB 3.25Å; Q79-K83 WeakPolarHBondContact O-CB 3.5Å; Q79-K83 PolarHBondContact O-N 2.96Å; V81-K83 VanDerWaalsContact C-N 3.27Å; V81-K83 PolarHBondContact O-N 2.88Å; K83-G87 PolarHBondContact O-N 3.42Å |
| 84 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 177.2 | -177.1 | 148.9 | 0 | 0 | 0 | 111.4 | G31 L33 N47 V51 S80 V81 V82 Q86 G87 L88 | G31-L84 WeakPolarHBondContact O-CA 3.38Å; G31-L84 VanDerWaalsContact O-CB 3.28Å; G31-L84 WeakPolarHBondContact O-CB 3.12Å; G31-L84 WeakPolarHBondContact O-CD1 3.44Å; G31-L84 WeakPolarHBondContact O-CG 3.13Å; L33-L84 HydrophobicContact CD1-CD1 3.58Å; L33-L84 HydrophobicContact CG-CD1 3.8Å; N47-L84 HydrophobicContact CB-CD1 4.39Å; N47-L84 HydrophobicContact CB-CD2 4.04Å; V51-L84 HydrophobicContact CB-CD1 4.02Å; V51-L84 HydrophobicContact CB-CD2 4.15Å; V51-L84 HydrophobicContact CG1-CD2 4.2Å; V51-L84 HydrophobicContact CG2-CB 4.2Å; V51-L84 HydrophobicContact CG2-CD1 3.93Å; V51-L84 HydrophobicContact CG2-CD2 4.34Å; V51-L84 HydrophobicContact CG2-CG 4.38Å; S80-L84 PolarHBondContact O-N 2.72Å; V81-L84 PolarHBondContact O-N 3.29Å; V81-L84 VanDerWaalsContact O-N 3.15Å; V82-L84 PolarHBondContact O-N 3.25Å; L84-Q86 PolarHBondContact O-N 2.99Å; L84-G87 WeakPolarHBondContact O-CA 3.33Å; L84-G87 PolarHBondContact O-N 3.04Å; L84-G87 VanDerWaalsContact O-N 3.13Å; L84-L88 HydrophobicContact CD2-CD1 3.91Å; L84-L88 HydrophobicContact CD2-CG 4.37Å; L84-L88 PolarHBondContact O-N 3.28Å |
| 85 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -40 | -178.6 | -66.1 | -62.5 | -74.3 | 0 | 0 | 111.1 | V48 V51 V81 V82 G87 L88 L89 Y141 M144 L145 M148 I155 | V48-M85 HydrophobicContact CG2-SD 4.27Å; V51-M85 HydrophobicContact CG1-SD 4.46Å; V81-M85 HydrophobicContact CG1-CG 4.42Å; V81-M85 WeakPolarHBondContact O-CG 3.41Å; V81-M85 PolarHBondContact O-N 3.09Å; V82-M85 PolarHBondContact O-N 2.98Å; M85-G87 VanDerWaalsContact C-N 3.34Å; M85-L88 PolarHBondContact O-N 3.27Å; M85-L88 HydrophobicContact SD-CD1 4.48Å; M85-L89 PolarHBondContact O-N 3.37Å; M85-Y141 HydrophobicContact CB-CE2 4.48Å; M85-Y141 HydrophobicContact CE-CD2 3.52Å; M85-Y141 HydrophobicContact CE-CE2 3.54Å; M85-Y141 HydrophobicContact CE-CG 4.35Å; M85-Y141 HydrophobicContact SD-CD2 4.23Å; M85-Y141 HydrophobicContact SD-CE2 4.23Å; M85-M144 HydrophobicContact CE-CB 4.49Å; M85-L145 HydrophobicContact CE-CB 4.32Å; M85-M148 HydrophobicContact CE-SD 4.33Å; M85-M148 HydrophobicContact CG-SD 4Å; M85-M148 HydrophobicContact SD-SD 4.36Å; M85-I155 HydrophobicContact CB-CD1 4.17Å; M85-I155 HydrophobicContact CB-CG1 4.5Å; M85-I155 HydrophobicContact CB-CG2 3.75Å; M85-I155 HydrophobicContact CG-CD1 4.19Å |
| 86 | Q | 98.2 | Very high | 97.7 | Very high | 75 Ų | 75 | 35.6 Ų | 35.6 | 35% | 0.35 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.9 | -35.5 | 171.7 | -73.8 | 178.8 | -21.7 | 0 | 0 | 112.7 | V82 L84 L89 Q90 I155 | V82-Q86 HydrophobicContact CG1-CG 4.3Å; V82-Q86 WeakPolarHBondContact O-CB 3.49Å; V82-Q86 WeakPolarHBondContact O-CG 3.42Å; V82-Q86 PolarHBondContact O-N 3.27Å; L84-Q86 PolarHBondContact O-N 2.99Å; Q86-L89 WeakPolarHBondContact O-CB 3.45Å; Q86-L89 PolarHBondContact O-N 3.38Å; Q86-Q90 WeakPolarHBondContact O-CB 3.46Å; Q86-Q90 PolarHBondContact O-N 3.46Å; Q86-I155 HydrophobicContact CG-CG2 4.23Å; Q86-I155 WeakPolarHBondContact CG-O 3.47Å; Q86-I155 PolarHBondContact NE2-O 3.5Å |
| 87 | G | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T30 K83 L84 M85 Q90 C91 | T30-G87 WeakPolarHBondContact O-CA 3.12Å; K83-G87 PolarHBondContact O-N 3.42Å; L84-G87 WeakPolarHBondContact O-CA 3.33Å; L84-G87 PolarHBondContact O-N 3.04Å; L84-G87 VanDerWaalsContact O-N 3.13Å; M85-G87 VanDerWaalsContact C-N 3.34Å; G87-Q90 PolarHBondContact O-N 2.94Å; G87-C91 PolarHBondContact O-N 3.47Å; G87-C91 PolarHBondContact O-SG 3.16Å; G87-C91 VanDerWaalsContact O-SG 3.4Å |
| 88 | L | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.1 | -42.1 | 174.4 | -68.6 | 177.3 | 0 | 0 | 0 | 112 | L32 V44 N47 V48 L84 M85 Q90 C91 M92 Y141 | L32-L88 HydrophobicContact CD2-CD2 3.6Å; L32-L88 HydrophobicContact CD2-CG 3.86Å; V44-L88 HydrophobicContact CB-CD2 4.49Å; V44-L88 HydrophobicContact CG1-CD1 4.42Å; V44-L88 HydrophobicContact CG2-CD2 4.23Å; N47-L88 HydrophobicContact CB-CD1 3.96Å; N47-L88 HydrophobicContact CB-CD2 4.17Å; N47-L88 HydrophobicContact CB-CG 4.44Å; V48-L88 HydrophobicContact CG2-CD1 3.63Å; L84-L88 HydrophobicContact CD2-CD1 3.91Å; L84-L88 HydrophobicContact CD2-CG 4.37Å; L84-L88 PolarHBondContact O-N 3.28Å; M85-L88 PolarHBondContact O-N 3.27Å; M85-L88 HydrophobicContact SD-CD1 4.48Å; L88-Q90 VanDerWaalsContact C-N 3.3Å; L88-Q90 PolarHBondContact O-N 3.45Å; L88-C91 WeakPolarHBondContact O-CB 3.4Å; L88-C91 PolarHBondContact O-N 2.83Å; L88-M92 HydrophobicContact CB-CE 4.39Å; L88-M92 WeakPolarHBondContact O-CE 3.17Å; L88-M92 PolarHBondContact O-N 3.43Å; L88-Y141 HydrophobicContact CB-CD2 4.1Å; L88-Y141 HydrophobicContact CB-CE2 3.91Å; L88-Y141 HydrophobicContact CD1-CD2 3.99Å; L88-Y141 HydrophobicContact CD1-CE2 4.43Å |
| 89 | L | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.2 | -48.9 | 173.1 | -175 | 57.4 | 0 | 0 | 0 | 110.6 | M85 Q86 C91 M92 T93 Y141 I156 E161 F164 I165 | M85-L89 PolarHBondContact O-N 3.37Å; Q86-L89 WeakPolarHBondContact O-CB 3.45Å; Q86-L89 PolarHBondContact O-N 3.38Å; L89-C91 VanDerWaalsContact C-N 3.32Å; L89-C91 PolarHBondContact O-N 3.36Å; L89-M92 PolarHBondContact O-N 2.92Å; L89-M92 VanDerWaalsContact O-N 3.1Å; L89-T93 WeakPolarHBondContact O-CB 3.1Å; L89-T93 PolarHBondContact O-N 3.26Å; L89-T93 PolarHBondContact O-OG1 3.38Å; L89-Y141 WeakPolarHBondContact CB-OH 3.48Å; L89-I156 HydrophobicContact CD2-CD1 3.67Å; L89-E161 HydrophobicContact CD2-CB 4.3Å; L89-E161 HydrophobicContact CD2-CG 4Å; L89-F164 HydrophobicContact CD1-CD1 3.65Å; L89-F164 HydrophobicContact CD1-CE1 3.91Å; L89-I165 HydrophobicContact CD1-CD1 3.83Å |
| 90 | Q | 97.4 | Very high | 97.5 | Very high | 90 Ų | 90 | 31.7 Ų | 31.7 | 42% | 0.421 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.8 | -40.1 | 178 | -170.9 | -176.8 | 20.9 | 0 | 0 | 112.5 | Q86 G87 L88 M92 R94 | Q86-Q90 WeakPolarHBondContact O-CB 3.46Å; Q86-Q90 PolarHBondContact O-N 3.46Å; G87-Q90 PolarHBondContact O-N 2.94Å; L88-Q90 VanDerWaalsContact C-N 3.3Å; L88-Q90 PolarHBondContact O-N 3.45Å; Q90-M92 VanDerWaalsContact C-N 3.34Å; Q90-R94 VanDerWaalsContact O-CG 3.27Å; Q90-R94 WeakPolarHBondContact O-CG 3.37Å; Q90-R94 PolarHBondContact O-N 2.89Å |
| 91 | C | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 173.7 | -75.2 | 0 | 0 | 0 | 0 | 112.3 | G87 L88 L89 Y116 C121 | G87-C91 PolarHBondContact O-N 3.47Å; G87-C91 PolarHBondContact O-SG 3.16Å; G87-C91 VanDerWaalsContact O-SG 3.4Å; L88-C91 WeakPolarHBondContact O-CB 3.4Å; L88-C91 PolarHBondContact O-N 2.83Å; L89-C91 VanDerWaalsContact C-N 3.32Å; L89-C91 PolarHBondContact O-N 3.36Å; C91-Y116 HydrophobicContact CB-CD1 3.61Å; C91-Y116 HydrophobicContact CB-CD2 3.73Å; C91-Y116 HydrophobicContact CB-CE1 3.67Å; C91-Y116 HydrophobicContact CB-CE2 3.81Å; C91-Y116 HydrophobicContact CB-CG 3.63Å; C91-C121 VanDerWaalsContact SG-CA 3.59Å; C91-C121 WeakPolarHBondContact SG-CB 3.42Å |
| 92 | M | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.8 | -42.8 | -178.9 | -68.3 | -177.8 | -76.7 | 0 | 0 | 111.9 | L88 L89 Q90 R94 Q95 L112 Y141 F164 L168 | L88-M92 HydrophobicContact CB-CE 4.39Å; L88-M92 WeakPolarHBondContact O-CE 3.17Å; L88-M92 PolarHBondContact O-N 3.43Å; L89-M92 PolarHBondContact O-N 2.92Å; L89-M92 VanDerWaalsContact O-N 3.1Å; Q90-M92 VanDerWaalsContact C-N 3.34Å; M92-R94 PolarHBondContact O-N 3.06Å; M92-Q95 CarbonylContact O-C 3.48Å; M92-Q95 WeakPolarHBondContact O-CA 3.43Å; M92-Q95 PolarHBondContact O-N 3.45Å; M92-L112 HydrophobicContact CB-CD1 4.48Å; M92-L112 HydrophobicContact CG-CD1 4.22Å; M92-L112 HydrophobicContact SD-CD1 4.27Å; M92-Y141 HydrophobicContact CE-CD1 3.63Å; M92-Y141 HydrophobicContact CE-CD2 3.98Å; M92-Y141 HydrophobicContact CE-CE1 3.61Å; M92-Y141 HydrophobicContact CE-CE2 3.95Å; M92-Y141 HydrophobicContact CE-CG 3.83Å; M92-F164 VanDerWaalsContact C-CZ 3.4Å; M92-F164 HydrophobicContact CB-CE1 3.84Å; M92-F164 HydrophobicContact CB-CZ 3.82Å; M92-F164 WeakPolarHBondContact O-CZ 3.45Å; M92-L168 HydrophobicContact CE-CD1 4.36Å; M92-L168 HydrophobicContact SD-CD1 4.12Å |
| 93 | T | 96.8 | Very high | 96.8 | Very high | 40 Ų | 40 | 35.9 Ų | 35.9 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.3 | -29.9 | 178.6 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | L89 Q95 V96 F164 | L89-T93 WeakPolarHBondContact O-CB 3.1Å; L89-T93 PolarHBondContact O-N 3.26Å; L89-T93 PolarHBondContact O-OG1 3.38Å; T93-Q95 PolarHBondContact O-N 3.22Å; T93-Q95 VanDerWaalsContact O-N 3.16Å; T93-V96 WeakPolarHBondContact O-CB 3.44Å; T93-V96 PolarHBondContact O-N 3.26Å; T93-V96 VanDerWaalsContact O-N 3.14Å; T93-F164 HydrophobicContact CG2-CD2 4.47Å; T93-F164 WeakPolarHBondContact OG1-CE1 3.15Å |
| 94 | R | 96.3 | Very high | 96.2 | Very high | 131 Ų | 131 | 37 Ų | 37 | 49% | 0.494 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.1 | 171.6 | -77.1 | 176.3 | 178.1 | -154.8 | 10.8 | 114.4 | Q90 M92 T120 | Q90-R94 VanDerWaalsContact O-CG 3.27Å; Q90-R94 WeakPolarHBondContact O-CG 3.37Å; Q90-R94 PolarHBondContact O-N 2.89Å; M92-R94 PolarHBondContact O-N 3.06Å; R94-T120 VanDerWaalsContact CZ-O 3.27Å; R94-T120 PolarHBondContact NH1-O 3.49Å; R94-T120 PolarHBondContact NH2-O 3.35Å |
| 95 | Q | 96.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 31.3 | 175.4 | -66 | 174.8 | 101.4 | 0 | 0 | 111.2 | M92 T93 D97 K98 V99 L112 H113 Y116 T123 | M92-Q95 CarbonylContact O-C 3.48Å; M92-Q95 WeakPolarHBondContact O-CA 3.43Å; M92-Q95 PolarHBondContact O-N 3.45Å; T93-Q95 PolarHBondContact O-N 3.22Å; T93-Q95 VanDerWaalsContact O-N 3.16Å; Q95-D97 PolarHBondContact O-N 3.31Å; Q95-K98 HydrophobicContact CB-CB 4.28Å; Q95-K98 HydrophobicContact CB-CD 4.29Å; Q95-K98 HydrophobicContact CB-CG 4.24Å; Q95-K98 HydrophobicContact CG-CD 4.46Å; Q95-K98 WeakPolarHBondContact O-CA 3.37Å; Q95-K98 VanDerWaalsContact O-CB 3.26Å; Q95-K98 WeakPolarHBondContact O-CB 3.47Å; Q95-K98 PolarHBondContact O-N 3.46Å; Q95-V99 PolarHBondContact O-N 3.13Å; Q95-L112 HydrophobicContact CB-CD2 3.66Å; Q95-H113 PolarHBondContact OE1-CD2 3.49Å; Q95-Y116 PolarHBondContact NE2-OH 3.43Å; Q95-T123 HydrophobicContact CG-CG2 4.45Å |
| 96 | V | 97.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 13% | 0.127 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.8 | -39.2 | -179.3 | 66.7 | 0 | 0 | 0 | 0 | 113.3 | T93 K98 V99 E100 F164 L492 L494 | T93-V96 WeakPolarHBondContact O-CB 3.44Å; T93-V96 PolarHBondContact O-N 3.26Å; T93-V96 VanDerWaalsContact O-N 3.14Å; V96-K98 PolarHBondContact O-N 3.01Å; V96-K98 VanDerWaalsContact O-N 3.15Å; V96-V99 WeakPolarHBondContact O-CB 3.45Å; V96-V99 PolarHBondContact O-N 2.96Å; V96-E100 PolarHBondContact O-N 3.21Å; V96-F164 HydrophobicContact CB-CE2 4.26Å; V96-F164 HydrophobicContact CG2-CD2 4.15Å; V96-F164 HydrophobicContact CG2-CE2 4.16Å; V96-L492 HydrophobicContact CG2-CB 4.22Å; V96-L492 WeakPolarHBondContact CG2-O 3.4Å; V96-L494 HydrophobicContact CG2-CD1 4Å; V96-L494 HydrophobicContact CG2-CD2 3.63Å; V96-L494 HydrophobicContact CG2-CG 3.78Å |
| 97 | D | 96.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 40 Ų | 40 | 52% | 0.524 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.7 | -28.8 | 176.7 | -58.9 | -33.8 | 0 | 0 | 0 | 112.8 | Q95 K101 | Q95-D97 PolarHBondContact O-N 3.31Å; D97-K101 WeakPolarHBondContact O-CG 3.4Å; D97-K101 PolarHBondContact O-N 2.94Å |
| 98 | K | 96.4 | Very high | 94.1 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.2 | -42.6 | 175.9 | -65.2 | -158.9 | 174.2 | -166.3 | 0 | 111.7 | Q95 V96 E100 K101 F102 D110 C111 H113 D127 | Q95-K98 HydrophobicContact CB-CB 4.28Å; Q95-K98 HydrophobicContact CB-CD 4.29Å; Q95-K98 HydrophobicContact CB-CG 4.24Å; Q95-K98 HydrophobicContact CG-CD 4.46Å; Q95-K98 WeakPolarHBondContact O-CA 3.37Å; Q95-K98 VanDerWaalsContact O-CB 3.26Å; Q95-K98 WeakPolarHBondContact O-CB 3.47Å; Q95-K98 PolarHBondContact O-N 3.46Å; V96-K98 PolarHBondContact O-N 3.01Å; V96-K98 VanDerWaalsContact O-N 3.15Å; K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 PolarHBondContact O-N 2.97Å; K98-K101 PolarHBondContact O-N 3.47Å; K98-F102 VanDerWaalsContact O-CB 3.22Å; K98-F102 WeakPolarHBondContact O-CB 3.21Å; K98-F102 PolarHBondContact O-N 3.39Å; K98-D110 WeakPolarHBondContact CB-O 3.46Å; K98-C111 WeakPolarHBondContact CD-O 3.29Å; K98-C111 PolarHBondContact NZ-O 2.75Å; K98-H113 PolarHBondContact NZ-CD2 3.35Å; K98-H113 VanDerWaalsContact NZ-CD2 3.29Å; K98-H113 PolarHBondContact NZ-NE2 2.64Å; K98-H113 VanDerWaalsContact NZ-NE2 3.14Å; K98-D127 VanDerWaalsContact NZ-CG 3.28Å; K98-D127 IonicContact NZ-OD1 2.86Å; K98-D127 PolarHBondContact NZ-OD1 2.89Å; K98-D127 IonicContact NZ-OD2 2.75Å |
| 99 | V | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 174.2 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | Q95 V96 F102 K103 L112 F164 N167 L168 Y171 | Q95-V99 PolarHBondContact O-N 3.13Å; V96-V99 WeakPolarHBondContact O-CB 3.45Å; V96-V99 PolarHBondContact O-N 2.96Å; V99-F102 PolarHBondContact O-N 3.46Å; V99-K103 WeakPolarHBondContact O-CG 2.86Å; V99-K103 PolarHBondContact O-N 3.29Å; V99-L112 HydrophobicContact CG2-CD1 4.14Å; V99-L112 HydrophobicContact CG2-CD2 3.77Å; V99-L112 HydrophobicContact CG2-CG 4.13Å; V99-F164 HydrophobicContact CG2-CE2 3.93Å; V99-F164 HydrophobicContact CG2-CZ 4.07Å; V99-N167 HydrophobicContact CG1-CB 4.02Å; V99-L168 HydrophobicContact CG1-CD2 4.35Å; V99-L168 HydrophobicContact CG2-CD2 4.01Å; V99-Y171 HydrophobicContact CG1-CD2 4.46Å |
| 100 | E | 96 | Very high | 93.3 | Very high | 36 Ų | 36 | 50.4 Ų | 50.4 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.2 | -52.8 | 177.4 | -175 | 56.4 | -145.7 | 0 | 0 | 112.1 | V96 K98 F102 K103 H104 L494 S495 | V96-E100 PolarHBondContact O-N 3.21Å; K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 PolarHBondContact O-N 2.97Å; E100-F102 PolarHBondContact O-N 3.14Å; E100-K103 IonicContact OE1-NZ 3.79Å; E100-K103 WeakPolarHBondContact OE2-CE 3.38Å; E100-K103 IonicContact OE2-NZ 2.75Å; E100-K103 PolarHBondContact OE2-NZ 3.17Å; E100-H104 PolarHBondContact O-CD2 3.03Å; E100-L494 HydrophobicContact CB-CD2 4.34Å; E100-L494 WeakPolarHBondContact OE2-CA 3.34Å; E100-S495 VanDerWaalsContact OE1-CB 3.26Å; E100-S495 WeakPolarHBondContact OE1-CB 3.46Å; E100-S495 PolarHBondContact OE1-OG 3.07Å; E100-S495 PolarHBondContact OE2-N 2.86Å; E100-S495 VanDerWaalsContact OE2-N 3.08Å; E100-S495 PolarHBondContact OE2-OG 3.44Å |
| 101 | K | 94.4 | Very high | 93.2 | Very high | 119 Ų | 119 | 46.2 Ų | 46.2 | 52% | 0.517 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 178.9 | -71 | 174.6 | -174.1 | -179 | 0 | 112.8 | D97 K98 K103 H104 T105 D110 | D97-K101 WeakPolarHBondContact O-CG 3.4Å; D97-K101 PolarHBondContact O-N 2.94Å; K98-K101 PolarHBondContact O-N 3.47Å; K101-K103 VanDerWaalsContact C-N 3.29Å; K101-K103 PolarHBondContact O-N 3.16Å; K101-H104 PolarHBondContact O-N 2.93Å; K101-H104 VanDerWaalsContact O-N 3.09Å; K101-T105 PolarHBondContact O-N 2.65Å; K101-T105 PolarHBondContact O-OG1 3.05Å; K101-D110 HydrophobicContact CB-CB 4.02Å |
| 102 | F | 93.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -31.4 | -173.8 | -170.3 | -92.6 | 0 | 0 | 0 | 113.2 | K98 V99 E100 H104 T105 Q106 S107 C111 L133 Y171 V178 | K98-F102 VanDerWaalsContact O-CB 3.22Å; K98-F102 WeakPolarHBondContact O-CB 3.21Å; K98-F102 PolarHBondContact O-N 3.39Å; V99-F102 PolarHBondContact O-N 3.46Å; E100-F102 PolarHBondContact O-N 3.14Å; F102-H104 PolarHBondContact O-N 2.84Å; F102-T105 PolarHBondContact O-N 2.92Å; F102-Q106 VanDerWaalsContact CE2-C 3.41Å; F102-Q106 HydrophobicContact CZ-CB 4.45Å; F102-Q106 PolarHBondContact O-N 2.88Å; F102-S107 WeakPolarHBondContact CD2-O 3.27Å; F102-S107 WeakPolarHBondContact CE2-O 3.5Å; F102-C111 HydrophobicContact CD2-CB 4.05Å; F102-C111 HydrophobicContact CE2-CB 3.94Å; F102-L133 HydrophobicContact CE2-CD1 3.67Å; F102-L133 HydrophobicContact CE2-CD2 4.27Å; F102-L133 HydrophobicContact CZ-CD1 3.53Å; F102-L133 HydrophobicContact CZ-CD2 4.42Å; F102-Y171 HydrophobicContact CB-CD2 3.91Å; F102-Y171 HydrophobicContact CB-CE2 3.61Å; F102-Y171 HydrophobicContact CD1-CD1 4.43Å; F102-Y171 AromaticContact CD1-CD2 3.29Å; F102-Y171 HydrophobicContact CD1-CD2 3.29Å; F102-Y171 HydrophobicContact CD1-CE1 4.32Å; F102-Y171 AromaticContact CD1-CE2 3.12Å; F102-Y171 HydrophobicContact CD1-CE2 3.12Å; F102-Y171 AromaticContact CD1-CG 3.95Å; F102-Y171 HydrophobicContact CD1-CG 3.95Å; F102-Y171 AromaticContact CD1-CZ 3.66Å; F102-Y171 HydrophobicContact CD2-CE2 4.02Å; F102-Y171 HydrophobicContact CE1-CD1 4.39Å; F102-Y171 HydrophobicContact CE1-CD2 4.03Å; F102-Y171 HydrophobicContact CE1-CE1 4.12Å; F102-Y171 AromaticContact CE1-CE2 3.72Å; F102-Y171 HydrophobicContact CE1-CE2 3.72Å; F102-Y171 HydrophobicContact CE1-CG 4.32Å; F102-Y171 AromaticContact CE1-CZ 3.73Å; F102-Y171 AromaticContact CG-CD2 3.8Å; F102-Y171 HydrophobicContact CG-CD2 3.8Å; F102-Y171 AromaticContact CG-CE2 3.29Å; F102-Y171 HydrophobicContact CG-CE2 3.29Å; F102-Y171 AromaticContact CG-CZ 3.98Å; F102-Y171 HydrophobicContact CZ-CE2 4.38Å; F102-V178 HydrophobicContact CZ-CG1 3.95Å |
| 103 | K | 90.1 | Very high | 93 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -52.9 | -28.6 | 174.1 | -75.7 | -175.6 | -57.1 | 179.2 | 0 | 113.1 | V99 E100 K101 N167 F170 S495 G496 P498 R500 | V99-K103 WeakPolarHBondContact O-CG 2.86Å; V99-K103 PolarHBondContact O-N 3.29Å; E100-K103 IonicContact OE1-NZ 3.79Å; E100-K103 WeakPolarHBondContact OE2-CE 3.38Å; E100-K103 IonicContact OE2-NZ 2.75Å; E100-K103 PolarHBondContact OE2-NZ 3.17Å; K101-K103 VanDerWaalsContact C-N 3.29Å; K101-K103 PolarHBondContact O-N 3.16Å; K103-N167 PolarHBondContact NZ-OD1 2.6Å; K103-F170 HydrophobicContact CD-CB 3.94Å; K103-F170 HydrophobicContact CD-CD2 4.18Å; K103-F170 HydrophobicContact CG-CB 4.12Å; K103-S495 PolarHBondContact NZ-OG 3.34Å; K103-G496 PolarHBondContact NZ-O 2.55Å; K103-P498 HydrophobicContact CB-CG 3.76Å; K103-P498 HydrophobicContact CD-CG 4.35Å; K103-P498 HydrophobicContact CG-CG 4.45Å; K103-R500 PolarHBondContact O-NH2 3.03Å |
| 104 | H | 86.1 | Confident | 92.9 | Very high | 106 Ų | 106 | 44.8 Ų | 44.8 | 49% | 0.491 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -102.2 | -48 | 179 | -59.1 | -84.5 | 0 | 0 | 0 | 112.3 | E100 K101 F102 | E100-H104 PolarHBondContact O-CD2 3.03Å; K101-H104 PolarHBondContact O-N 2.93Å; K101-H104 VanDerWaalsContact O-N 3.09Å; F102-H104 PolarHBondContact O-N 2.84Å |
| 105 | T | 87.3 | Confident | 92.8 | Very high | 61 Ų | 61 | 39.1 Ų | 39.1 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -83.6 | -30.1 | -170.1 | 69.2 | 0 | 0 | 0 | 0 | 114.2 | K101 F102 S107 D110 | K101-T105 PolarHBondContact O-N 2.65Å; K101-T105 PolarHBondContact O-OG1 3.05Å; F102-T105 PolarHBondContact O-N 2.92Å; T105-S107 PolarHBondContact O-N 3.41Å; T105-S107 PolarHBondContact OG1-N 2.65Å; T105-D110 WeakPolarHBondContact CB-OD2 3.24Å; T105-D110 WeakPolarHBondContact CG2-OD2 3.5Å; T105-D110 WeakPolarHBondContact OG1-CB 3.39Å; T105-D110 PolarHBondContact OG1-OD2 3.06Å |
| 106 | Q | 88.2 | Confident | 92.8 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | trans | 49.6 | 24 | -173.1 | -67.7 | 162 | 44.9 | 0 | 0 | 113.5 | F102 V178 | F102-Q106 VanDerWaalsContact CE2-C 3.41Å; F102-Q106 HydrophobicContact CZ-CB 4.45Å; F102-Q106 PolarHBondContact O-N 2.88Å; Q106-V178 HydrophobicContact CB-CG2 4.08Å; Q106-V178 HydrophobicContact CG-CG2 3.95Å | ||
| 107 | S | 86 | Confident | 92.8 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 28% | 0.28 | 20% | 0.201 | S | C | . | . | trans | -86.8 | 147.8 | -172.1 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | F102 T105 K109 D110 C111 | F102-S107 WeakPolarHBondContact CD2-O 3.27Å; F102-S107 WeakPolarHBondContact CE2-O 3.5Å; T105-S107 PolarHBondContact O-N 3.41Å; T105-S107 PolarHBondContact OG1-N 2.65Å; S107-K109 PolarHBondContact O-N 3.49Å; S107-K109 VanDerWaalsContact O-N 3.13Å; S107-K109 PolarHBondContact OG-N 3.25Å; S107-D110 PolarHBondContact O-N 3Å; S107-C111 PolarHBondContact O-N 2.83Å | ||
| 108 | T | 88 | Confident | 92.7 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.2 | 171 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | C111 L133 Y181 P195 | T108-C111 PolarHBondContact O-SG 2.9Å; T108-L133 HydrophobicContact CG2-CB 4.36Å; T108-L133 HydrophobicContact CG2-CD2 3.84Å; T108-Y181 HydrophobicContact CG2-CE2 3.99Å; T108-P195 HydrophobicContact CG2-CG 4.16Å |
| 109 | K | 88.8 | Confident | 92.6 | Very high | 142 Ų | 142 | 37.3 Ų | 37.3 | 62% | 0.617 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -31.2 | 179.1 | -64.8 | -178.2 | -177.9 | 175.6 | 0 | 113.5 | S107 | S107-K109 PolarHBondContact O-N 3.49Å; S107-K109 VanDerWaalsContact O-N 3.13Å; S107-K109 PolarHBondContact OG-N 3.25Å |
| 110 | D | 92.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 20% | 0.203 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 3.6 | -176.7 | -59.5 | -48.5 | 0 | 0 | 0 | 112.2 | K98 K101 T105 S107 | K98-D110 WeakPolarHBondContact CB-O 3.46Å; K101-D110 HydrophobicContact CB-CB 4.02Å; T105-D110 WeakPolarHBondContact CB-OD2 3.24Å; T105-D110 WeakPolarHBondContact CG2-OD2 3.5Å; T105-D110 WeakPolarHBondContact OG1-CB 3.39Å; T105-D110 PolarHBondContact OG1-OD2 3.06Å; S107-D110 PolarHBondContact O-N 3Å |
| 111 | C | 94.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -74.5 | 157.6 | -177.9 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | K98 F102 S107 T108 H132 L133 Y171 | K98-C111 WeakPolarHBondContact CD-O 3.29Å; K98-C111 PolarHBondContact NZ-O 2.75Å; F102-C111 HydrophobicContact CD2-CB 4.05Å; F102-C111 HydrophobicContact CE2-CB 3.94Å; S107-C111 PolarHBondContact O-N 2.83Å; T108-C111 PolarHBondContact O-SG 2.9Å; C111-H132 VanDerWaalsContact SG-CB 3.53Å; C111-L133 HydrophobicContact CB-CB 3.88Å; C111-L133 HydrophobicContact CB-CD1 3.65Å; C111-L133 HydrophobicContact CB-CG 4.26Å; C111-L133 PolarHBondContact SG-N 3.16Å; C111-Y171 WeakPolarHBondContact CA-OH 3.45Å; C111-Y171 WeakPolarHBondContact CB-OH 3.35Å |
| 112 | L | 96.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 142.8 | 169.5 | -71.9 | 175.1 | 0 | 0 | 0 | 110.5 | M92 Q95 V99 L168 Y171 | M92-L112 HydrophobicContact CB-CD1 4.48Å; M92-L112 HydrophobicContact CG-CD1 4.22Å; M92-L112 HydrophobicContact SD-CD1 4.27Å; Q95-L112 HydrophobicContact CB-CD2 3.66Å; V99-L112 HydrophobicContact CG2-CD1 4.14Å; V99-L112 HydrophobicContact CG2-CD2 3.77Å; V99-L112 HydrophobicContact CG2-CG 4.13Å; L112-L168 HydrophobicContact CD1-CD2 3.81Å; L112-Y171 HydrophobicContact CD1-CE2 4.4Å; L112-Y171 HydrophobicContact CG-CE2 4.12Å; L112-Y171 PolarHBondContact N-OH 3.39Å |
| 113 | H | 95.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -66 | 141.9 | 170.3 | -75.5 | -160.2 | 0 | 0 | 0 | 111.5 | Q95 K98 Y116 T123 V125 D127 H132 | Q95-H113 PolarHBondContact OE1-CD2 3.49Å; K98-H113 PolarHBondContact NZ-CD2 3.35Å; K98-H113 VanDerWaalsContact NZ-CD2 3.29Å; K98-H113 PolarHBondContact NZ-NE2 2.64Å; K98-H113 VanDerWaalsContact NZ-NE2 3.14Å; H113-Y116 HydrophobicContact CB-CE1 4.15Å; H113-Y116 WeakPolarHBondContact O-CE2 3.2Å; H113-Y116 PolarHBondContact O-OH 3.22Å; H113-T123 HydrophobicContact CB-CG2 4.48Å; H113-T123 VanDerWaalsContact ND1-CB 3.32Å; H113-T123 WeakPolarHBondContact ND1-CB 3.46Å; H113-T123 WeakPolarHBondContact ND1-CG2 3.35Å; H113-V125 PolarHBondContact CE1-O 3.11Å; H113-D127 IonicContact CD2-OD1 3.27Å; H113-D127 IonicContact CE1-OD1 2.86Å; H113-D127 PolarHBondContact CE1-OD1 2.99Å; H113-D127 IonicContact NE2-OD1 3.88Å; H113-D127 PolarHBondContact NE2-OD1 3.41Å; H113-H132 WeakPolarHBondContact CA-ND1 3.37Å; H113-H132 AromaticContact CD2-CD2 3.81Å; H113-H132 AromaticContact CD2-CE1 3.67Å; H113-H132 AromaticContact CD2-CG 3.78Å; H113-H132 AromaticContact CD2-ND1 3.74Å; H113-H132 AromaticContact CD2-NE2 3.74Å; H113-H132 AromaticContact CE1-CE1 3.74Å; H113-H132 AromaticContact CE1-NE2 3.66Å; H113-H132 AromaticContact CG-CE1 3.41Å; H113-H132 VanDerWaalsContact CG-CE1 3.41Å; H113-H132 AromaticContact CG-ND1 3.56Å; H113-H132 AromaticContact CG-NE2 3.91Å; H113-H132 AromaticContact ND1-CE1 3.46Å; H113-H132 PolarHBondContact ND1-CE1 2.98Å; H113-H132 AromaticContact ND1-NE2 3.87Å; H113-H132 AromaticContact NE2-CD2 3.87Å; H113-H132 AromaticContact NE2-CE1 3.85Å; H113-H132 AromaticContact NE2-NE2 3.56Å |
| 114 | A | 93.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -81.9 | -18.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V44 H132 Q134 | V44-A114 PolarHBondContact N-O 3.24Å; A114-H132 PolarHBondContact N-ND1 3.39Å; A114-Q134 HydrophobicContact CB-CB 4.35Å; A114-Q134 HydrophobicContact CB-CG 4.16Å |
| 115 | K | 94.6 | Very high | 93 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 146.9 | -174 | 65.4 | -177.7 | -178.6 | -174.3 | 0 | 113.4 | A42 W43 V124 W130 | A42-K115 CarbonylContact O-C 3.58Å; A42-K115 VanDerWaalsContact O-CA 3.27Å; A42-K115 WeakPolarHBondContact O-CA 3.32Å; W43-K115 HydrophobicContact CD2-CB 3.72Å; W43-K115 HydrophobicContact CD2-CD 4.29Å; W43-K115 HydrophobicContact CE3-CB 4.14Å; W43-K115 HydrophobicContact CG-CB 4Å; W43-K115 HydrophobicContact CH2-CD 3.74Å; W43-K115 HydrophobicContact CZ2-CB 4.31Å; W43-K115 HydrophobicContact CZ2-CD 3.29Å; W43-K115 HydrophobicContact CZ2-CG 4.42Å; W43-K115 HydrophobicContact CZ3-CD 4.4Å; K115-V124 HydrophobicContact CD-CG2 4.12Å; K115-V124 HydrophobicContact CG-CG2 3.75Å; K115-W130 VanDerWaalsContact NZ-CE2 3.34Å; K115-W130 VanDerWaalsContact NZ-CE3 3.33Å |
| 116 | Y | 96.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 160.4 | -170.9 | -59.1 | -82.3 | 0 | 0 | 0 | 112.8 | D41 A42 V44 C91 Q95 H113 T118 S122 | D41-Y116 CarbonylContact C-O 3.56Å; D41-Y116 WeakPolarHBondContact CA-O 3.07Å; D41-Y116 WeakPolarHBondContact CB-O 3.46Å; A42-Y116 PolarHBondContact N-O 3.06Å; A42-Y116 PolarHBondContact O-N 2.92Å; V44-Y116 HydrophobicContact CG2-CD2 4.18Å; V44-Y116 HydrophobicContact CG2-CE2 3.59Å; C91-Y116 HydrophobicContact CB-CD1 3.61Å; C91-Y116 HydrophobicContact CB-CD2 3.73Å; C91-Y116 HydrophobicContact CB-CE1 3.67Å; C91-Y116 HydrophobicContact CB-CE2 3.81Å; C91-Y116 HydrophobicContact CB-CG 3.63Å; Q95-Y116 PolarHBondContact NE2-OH 3.43Å; H113-Y116 HydrophobicContact CB-CE1 4.15Å; H113-Y116 WeakPolarHBondContact O-CE2 3.2Å; H113-Y116 PolarHBondContact O-OH 3.22Å; Y116-T118 PolarHBondContact O-N 2.55Å; Y116-S122 WeakPolarHBondContact CA-O 2.92Å |
| 117 | N | 96.7 | Very high | 93 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 120 | 170.7 | -173.9 | -79.3 | 0 | 0 | 0 | 109.4 | A119 T120 C121 S122 V124 | N117-A119 PolarHBondContact O-N 3.26Å; N117-A119 VanDerWaalsContact O-N 3.14Å; N117-A119 PolarHBondContact OD1-N 3.49Å; N117-T120 WeakPolarHBondContact CB-OG1 3.38Å; N117-T120 PolarHBondContact O-N 3Å; N117-T120 PolarHBondContact OD1-N 3.33Å; N117-T120 PolarHBondContact OD1-OG1 3.06Å; N117-C121 WeakPolarHBondContact O-CA 3.41Å; N117-C121 PolarHBondContact O-N 2.77Å; N117-S122 PolarHBondContact N-O 3.4Å; N117-V124 HydrophobicContact CB-CG1 3.69Å |
| 118 | T | 95.5 | Very high | 92.9 | Very high | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.4 | -177.7 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | N27 T30 L32 K40 A42 Y116 | N27-T118 HydrophobicContact CB-CG2 3.88Å; T30-T118 PolarHBondContact OG1-O 2.95Å; L32-T118 HydrophobicContact CB-CG2 4.06Å; K40-T118 WeakPolarHBondContact O-CB 3.49Å; K40-T118 PolarHBondContact O-OG1 2.89Å; A42-T118 PolarHBondContact N-OG1 3.32Å; Y116-T118 PolarHBondContact O-N 2.55Å |
| 119 | A | 94.9 | Very high | 92.6 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -30.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T30 N117 | T30-A119 VanDerWaalsContact CG2-O 3.32Å; T30-A119 WeakPolarHBondContact CG2-O 3.4Å; N117-A119 PolarHBondContact O-N 3.26Å; N117-A119 VanDerWaalsContact O-N 3.14Å; N117-A119 PolarHBondContact OD1-N 3.49Å |
| 120 | T | 95 | Very high | 92.4 | Very high | 66 Ų | 66 | 48.3 Ų | 48.3 | 41% | 0.405 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -11 | -172 | 71.2 | 0 | 0 | 0 | 0 | 114.6 | R94 N117 S122 | R94-T120 VanDerWaalsContact CZ-O 3.27Å; R94-T120 PolarHBondContact NH1-O 3.49Å; R94-T120 PolarHBondContact NH2-O 3.35Å; N117-T120 WeakPolarHBondContact CB-OG1 3.38Å; N117-T120 PolarHBondContact O-N 3Å; N117-T120 PolarHBondContact OD1-N 3.33Å; N117-T120 PolarHBondContact OD1-OG1 3.06Å; T120-S122 PolarHBondContact O-N 3.05Å; T120-S122 VanDerWaalsContact OG1-CB 3.25Å; T120-S122 WeakPolarHBondContact OG1-CB 3.38Å; T120-S122 PolarHBondContact OG1-N 2.79Å; T120-S122 PolarHBondContact OG1-OG 3.12Å |
| 121 | C | 96 | Very high | 92.1 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | trans | 60.2 | 21.3 | -171 | -54.2 | 0 | 0 | 0 | 0 | 113.8 | T30 C91 N117 | T30-C121 VanDerWaalsContact CG2-SG 3.54Å; C91-C121 VanDerWaalsContact SG-CA 3.59Å; C91-C121 WeakPolarHBondContact SG-CB 3.42Å; N117-C121 WeakPolarHBondContact O-CA 3.41Å; N117-C121 PolarHBondContact O-N 2.77Å | ||
| 122 | S | 95.4 | Very high | 91.9 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | trans | -89.4 | 159 | 179.4 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | Y116 N117 T120 | Y116-S122 WeakPolarHBondContact CA-O 2.92Å; N117-S122 PolarHBondContact N-O 3.4Å; T120-S122 PolarHBondContact O-N 3.05Å; T120-S122 VanDerWaalsContact OG1-CB 3.25Å; T120-S122 WeakPolarHBondContact OG1-CB 3.38Å; T120-S122 PolarHBondContact OG1-N 2.79Å; T120-S122 PolarHBondContact OG1-OG 3.12Å | ||
| 123 | T | 94.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 47 Ų | 47 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | B | Isolated β-bridge | trans | -62.4 | 144.5 | 167.6 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | Q95 H113 | Q95-T123 HydrophobicContact CG-CG2 4.45Å; H113-T123 HydrophobicContact CB-CG2 4.48Å; H113-T123 VanDerWaalsContact ND1-CB 3.32Å; H113-T123 WeakPolarHBondContact ND1-CB 3.46Å; H113-T123 WeakPolarHBondContact ND1-CG2 3.35Å |
| 124 | V | 94 | Very high | 91.8 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | trans | -112.3 | -16.5 | -174 | -68.8 | 0 | 0 | 0 | 0 | 114.1 | D41 K115 N117 | D41-V124 HydrophobicContact CB-CG2 4.38Å; K115-V124 HydrophobicContact CD-CG2 4.12Å; K115-V124 HydrophobicContact CG-CG2 3.75Å; N117-V124 HydrophobicContact CB-CG1 3.69Å | ||
| 125 | V | 90.7 | Very high | 92 | Very high | 38 Ų | 38 | 47 Ų | 47 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -139.3 | 165.7 | 178.7 | -66.1 | 0 | 0 | 0 | 0 | 109 | H113 W130 H132 | H113-V125 PolarHBondContact CE1-O 3.11Å; V125-W130 HydrophobicContact CG2-CB 3.97Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.28Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.49Å |
| 126 | R | 87.8 | Confident | 92.1 | Very high | 173 Ų | 173 | 46.9 Ų | 46.9 | 65% | 0.653 | 25% | 0.252 | S | S | * | . | trans | -75.8 | 167 | 176.2 | -60 | -176.8 | -178.6 | 176.3 | -0.3 | 111.8 | D128 Q129 H132 | R126-D128 VanDerWaalsContact C-N 3.26Å; R126-D128 WeakPolarHBondContact CB-OD1 2.9Å; R126-D128 PolarHBondContact O-N 3.07Å; R126-Q129 HydrophobicContact CB-CB 4.45Å; R126-Q129 HydrophobicContact CB-CG 3.97Å; R126-Q129 PolarHBondContact O-N 3.2Å; R126-H132 PolarHBondContact O-NE2 3.47Å | ||
| 127 | D | 86.3 | Confident | 92.1 | Very high | 71 Ų | 71 | 46.9 Ų | 46.9 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.9 | -176.7 | -63.7 | -17.5 | 0 | 0 | 0 | 113.3 | K98 H113 | K98-D127 VanDerWaalsContact NZ-CG 3.28Å; K98-D127 IonicContact NZ-OD1 2.86Å; K98-D127 PolarHBondContact NZ-OD1 2.89Å; K98-D127 IonicContact NZ-OD2 2.75Å; H113-D127 IonicContact CD2-OD1 3.27Å; H113-D127 IonicContact CE1-OD1 2.86Å; H113-D127 PolarHBondContact CE1-OD1 2.99Å; H113-D127 IonicContact NE2-OD1 3.88Å; H113-D127 PolarHBondContact NE2-OD1 3.41Å |
| 128 | D | 83.9 | Confident | 92.2 | Very high | 130 Ų | 130 | 44.9 Ų | 44.9 | 70% | 0.695 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -2.8 | -175.6 | 62.4 | -31.7 | 0 | 0 | 0 | 114.1 | R126 | R126-D128 VanDerWaalsContact C-N 3.26Å; R126-D128 WeakPolarHBondContact CB-OD1 2.9Å; R126-D128 PolarHBondContact O-N 3.07Å |
| 129 | Q | 82.9 | Confident | 92.3 | Very high | 102 Ų | 102 | 44.1 Ų | 44.1 | 48% | 0.477 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -98 | -6.5 | -171.2 | -71.7 | -178.5 | -16.2 | 0 | 0 | 114.1 | R126 | R126-Q129 HydrophobicContact CB-CB 4.45Å; R126-Q129 HydrophobicContact CB-CG 3.97Å; R126-Q129 PolarHBondContact O-N 3.2Å |
| 130 | W | 84.9 | Confident | 92.5 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -149.5 | 153.1 | -176.1 | -162.4 | -99.1 | 0 | 0 | 0 | 111.4 | W43 K115 V125 H132 E185 | W43-W130 HydrophobicContact CZ2-CZ2 4.11Å; K115-W130 VanDerWaalsContact NZ-CE2 3.34Å; K115-W130 VanDerWaalsContact NZ-CE3 3.33Å; V125-W130 HydrophobicContact CG2-CB 3.97Å; W130-H132 PolarHBondContact O-CD2 3.36Å; W130-H132 PolarHBondContact O-N 2.93Å; W130-E185 VanDerWaalsContact CZ2-OE2 3.25Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.21Å; W130-E185 PolarHBondContact NE1-OE1 2.59Å |
| 131 | G | 83.9 | Confident | 92.7 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | trans | -72.1 | 70.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q134 Y181 | G131-Q134 PolarHBondContact O-NE2 3.14Å; G131-Y181 VanDerWaalsContact C-CD2 3.48Å; G131-Y181 VanDerWaalsContact CA-CG 3.47Å | ||
| 132 | H | 91.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | trans | -72.4 | -35.6 | -174.8 | -73.8 | -64.3 | 0 | 0 | 0 | 113.8 | C111 H113 A114 V125 R126 W130 Q134 | C111-H132 VanDerWaalsContact SG-CB 3.53Å; H113-H132 WeakPolarHBondContact CA-ND1 3.37Å; H113-H132 AromaticContact CD2-CD2 3.81Å; H113-H132 AromaticContact CD2-CE1 3.67Å; H113-H132 AromaticContact CD2-CG 3.78Å; H113-H132 AromaticContact CD2-ND1 3.74Å; H113-H132 AromaticContact CD2-NE2 3.74Å; H113-H132 AromaticContact CE1-CE1 3.74Å; H113-H132 AromaticContact CE1-NE2 3.66Å; H113-H132 AromaticContact CG-CE1 3.41Å; H113-H132 VanDerWaalsContact CG-CE1 3.41Å; H113-H132 AromaticContact CG-ND1 3.56Å; H113-H132 AromaticContact CG-NE2 3.91Å; H113-H132 AromaticContact ND1-CE1 3.46Å; H113-H132 PolarHBondContact ND1-CE1 2.98Å; H113-H132 AromaticContact ND1-NE2 3.87Å; H113-H132 AromaticContact NE2-CD2 3.87Å; H113-H132 AromaticContact NE2-CE1 3.85Å; H113-H132 AromaticContact NE2-NE2 3.56Å; A114-H132 PolarHBondContact N-ND1 3.39Å; V125-H132 WeakPolarHBondContact CG2-CE1 3.28Å; V125-H132 WeakPolarHBondContact CG2-NE2 3.49Å; R126-H132 PolarHBondContact O-NE2 3.47Å; W130-H132 PolarHBondContact O-CD2 3.36Å; W130-H132 PolarHBondContact O-N 2.93Å; H132-Q134 VanDerWaalsContact C-N 3.35Å; H132-Q134 PolarHBondContact O-N 3.34Å | ||
| 133 | L | 94.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -67 | 96.7 | -179.9 | -178.2 | 55.3 | 0 | 0 | 0 | 108.9 | F102 T108 C111 V135 V178 A179 D180 Y181 | F102-L133 HydrophobicContact CE2-CD1 3.67Å; F102-L133 HydrophobicContact CE2-CD2 4.27Å; F102-L133 HydrophobicContact CZ-CD1 3.53Å; F102-L133 HydrophobicContact CZ-CD2 4.42Å; T108-L133 HydrophobicContact CG2-CB 4.36Å; T108-L133 HydrophobicContact CG2-CD2 3.84Å; C111-L133 HydrophobicContact CB-CB 3.88Å; C111-L133 HydrophobicContact CB-CD1 3.65Å; C111-L133 HydrophobicContact CB-CG 4.26Å; C111-L133 PolarHBondContact SG-N 3.16Å; L133-V135 HydrophobicContact CD1-CG2 4.13Å; L133-V178 HydrophobicContact CD1-CG1 4.28Å; L133-V178 HydrophobicContact CD2-CG1 3.94Å; L133-V178 HydrophobicContact CG-CG1 4.46Å; L133-A179 VanDerWaalsContact CD2-O 3.3Å; L133-A179 WeakPolarHBondContact CD2-O 3.42Å; L133-D180 HydrophobicContact CD2-CB 4.48Å; L133-D180 HydrophobicContact CG-CB 3.93Å; L133-D180 WeakPolarHBondContact O-CB 3.12Å; L133-Y181 HydrophobicContact CB-CD2 4.14Å; L133-Y181 HydrophobicContact CB-CE2 4.41Å; L133-Y181 PolarHBondContact O-N 2.96Å | ||
| 134 | Q | 95.7 | Very high | 93.2 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | trans | -131.9 | 91.1 | -178.6 | -70.8 | -177.2 | 26.5 | 0 | 0 | 107.6 | A114 G131 H132 D136 A137 E185 | A114-Q134 HydrophobicContact CB-CB 4.35Å; A114-Q134 HydrophobicContact CB-CG 4.16Å; G131-Q134 PolarHBondContact O-NE2 3.14Å; H132-Q134 VanDerWaalsContact C-N 3.35Å; H132-Q134 PolarHBondContact O-N 3.34Å; Q134-D136 VanDerWaalsContact C-N 3.26Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.07Å; Q134-D136 PolarHBondContact O-N 2.77Å; Q134-A137 HydrophobicContact CB-CB 4.03Å; Q134-A137 PolarHBondContact O-N 3.42Å; Q134-E185 VanDerWaalsContact NE2-CG 3.25Å; Q134-E185 PolarHBondContact NE2-OE1 2.96Å | ||
| 135 | V | 96.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.2 | -31.7 | -176.2 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | L133 A137 T138 S139 I172 A175 V178 D180 A205 | L133-V135 HydrophobicContact CD1-CG2 4.13Å; V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 3.23Å; V135-T138 PolarHBondContact O-N 3.32Å; V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.34Å; V135-S139 PolarHBondContact O-N 3.25Å; V135-S139 PolarHBondContact O-OG 3.03Å; V135-I172 HydrophobicContact CG1-CG2 4.39Å; V135-A175 HydrophobicContact CG1-CB 3.74Å; V135-V178 HydrophobicContact CG2-CG1 4.09Å; V135-D180 HydrophobicContact CG2-CB 4.12Å; V135-D180 PolarHBondContact N-OD2 2.99Å; V135-A205 HydrophobicContact CG1-CB 4.19Å |
| 136 | D | 97.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 4% | 0.043 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.3 | -41.8 | 173.5 | 67.1 | -58.7 | 0 | 0 | 0 | 112.4 | R45 Q134 S139 I140 M183 | R45-D136 WeakPolarHBondContact CD-OD2 3.3Å; R45-D136 IonicContact CZ-OD2 3.69Å; R45-D136 IonicContact NH1-OD1 3.87Å; R45-D136 IonicContact NH1-OD2 2.73Å; R45-D136 PolarHBondContact NH1-OD2 3.08Å; Q134-D136 VanDerWaalsContact C-N 3.26Å; Q134-D136 WeakPolarHBondContact CB-OD1 3.07Å; Q134-D136 PolarHBondContact O-N 2.77Å; D136-S139 PolarHBondContact O-N 3.41Å; D136-I140 WeakPolarHBondContact O-CG2 3.4Å; D136-I140 PolarHBondContact O-N 3.19Å; D136-M183 WeakPolarHBondContact OD2-CA 3.43Å; D136-M183 WeakPolarHBondContact OD2-CB 3.41Å |
| 137 | A | 97.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.9 | -43.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V44 R45 Q134 V135 S139 I140 Y141 | V44-A137 HydrophobicContact CB-CB 4.21Å; V44-A137 HydrophobicContact CG1-CB 4.36Å; V44-A137 WeakPolarHBondContact CG1-O 3.35Å; R45-A137 HydrophobicContact CB-CB 4.27Å; Q134-A137 HydrophobicContact CB-CB 4.03Å; Q134-A137 PolarHBondContact O-N 3.42Å; V135-A137 VanDerWaalsContact C-N 3.28Å; V135-A137 PolarHBondContact O-N 3.23Å; A137-S139 VanDerWaalsContact C-N 3.33Å; A137-I140 VanDerWaalsContact O-CG2 3.31Å; A137-I140 WeakPolarHBondContact O-CG2 3.46Å; A137-Y141 PolarHBondContact O-N 2.85Å |
| 138 | T | 97.8 | Very high | 94.8 | Very high | 10 Ų | 10 | 17 Ų | 17 | 6% | 0.061 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.2 | -38.2 | 174.7 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | V135 Y141 L142 L168 Y171 I172 | V135-T138 PolarHBondContact O-N 3.32Å; T138-Y141 WeakPolarHBondContact O-CB 3.27Å; T138-Y141 PolarHBondContact O-N 2.82Å; T138-L142 PolarHBondContact O-N 3.28Å; T138-L142 VanDerWaalsContact O-N 3.12Å; T138-L168 HydrophobicContact CG2-CD2 4.35Å; T138-Y171 HydrophobicContact CG2-CD1 4.26Å; T138-I172 HydrophobicContact CG2-CG2 3.91Å |
| 139 | S | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.7 | -45.1 | -179.4 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | V135 D136 A137 Y141 L142 L143 A205 A208 | V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.34Å; V135-S139 PolarHBondContact O-N 3.25Å; V135-S139 PolarHBondContact O-OG 3.03Å; D136-S139 PolarHBondContact O-N 3.41Å; A137-S139 VanDerWaalsContact C-N 3.33Å; S139-Y141 VanDerWaalsContact C-N 3.26Å; S139-Y141 PolarHBondContact O-N 2.91Å; S139-L142 PolarHBondContact O-N 3.01Å; S139-L142 VanDerWaalsContact O-N 3.17Å; S139-L143 WeakPolarHBondContact O-CB 3.33Å; S139-L143 PolarHBondContact O-N 3.05Å; S139-A205 VanDerWaalsContact OG-CA 3.26Å; S139-A205 WeakPolarHBondContact OG-CA 3.4Å; S139-A205 WeakPolarHBondContact OG-CB 3.48Å; S139-A208 VanDerWaalsContact O-CB 3.23Å; S139-A208 WeakPolarHBondContact O-CB 3.34Å |
| 140 | I | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.5 | -33.1 | 177.2 | -172 | 60.3 | 0 | 0 | 0 | 111.6 | V48 Y49 D136 A137 L143 M144 M204 P266 | V48-I140 HydrophobicContact CB-CG2 4.44Å; V48-I140 HydrophobicContact CG1-CG1 3.85Å; V48-I140 HydrophobicContact CG1-CG2 4.42Å; Y49-I140 HydrophobicContact CE2-CG1 4.25Å; D136-I140 WeakPolarHBondContact O-CG2 3.4Å; D136-I140 PolarHBondContact O-N 3.19Å; A137-I140 VanDerWaalsContact O-CG2 3.31Å; A137-I140 WeakPolarHBondContact O-CG2 3.46Å; I140-L143 HydrophobicContact CD1-CD2 4.1Å; I140-M144 HydrophobicContact CD1-CE 4.25Å; I140-M144 HydrophobicContact CD1-CG 3.86Å; I140-M144 HydrophobicContact CG1-CG 4.2Å; I140-M144 WeakPolarHBondContact O-CB 3.5Å; I140-M144 WeakPolarHBondContact O-CG 3.33Å; I140-M144 PolarHBondContact O-N 3.39Å; I140-M204 HydrophobicContact CB-CG 4Å; I140-M204 HydrophobicContact CB-SD 3.97Å; I140-M204 HydrophobicContact CD1-CE 4.04Å; I140-M204 HydrophobicContact CD1-SD 3.58Å; I140-M204 VanDerWaalsContact CD1-SD 3.58Å; I140-M204 HydrophobicContact CG1-SD 4.3Å; I140-P266 HydrophobicContact CD1-CB 4.23Å; I140-P266 HydrophobicContact CD1-CG 3.49Å; I140-P266 VanDerWaalsContact CD1-CG 3.49Å |
| 141 | Y | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -60.5 | -49.5 | 172 | 170.7 | -90.9 | 0 | 0 | 0 | 111.3 | V48 M85 L88 L89 M92 A137 T138 S139 M144 L145 I165 | V48-Y141 HydrophobicContact CG2-CD2 4.24Å; M85-Y141 HydrophobicContact CB-CE2 4.48Å; M85-Y141 HydrophobicContact CE-CD2 3.52Å; M85-Y141 HydrophobicContact CE-CE2 3.54Å; M85-Y141 HydrophobicContact CE-CG 4.35Å; M85-Y141 HydrophobicContact SD-CD2 4.23Å; M85-Y141 HydrophobicContact SD-CE2 4.23Å; L88-Y141 HydrophobicContact CB-CD2 4.1Å; L88-Y141 HydrophobicContact CB-CE2 3.91Å; L88-Y141 HydrophobicContact CD1-CD2 3.99Å; L88-Y141 HydrophobicContact CD1-CE2 4.43Å; L89-Y141 WeakPolarHBondContact CB-OH 3.48Å; M92-Y141 HydrophobicContact CE-CD1 3.63Å; M92-Y141 HydrophobicContact CE-CD2 3.98Å; M92-Y141 HydrophobicContact CE-CE1 3.61Å; M92-Y141 HydrophobicContact CE-CE2 3.95Å; M92-Y141 HydrophobicContact CE-CG 3.83Å; A137-Y141 PolarHBondContact O-N 2.85Å; T138-Y141 WeakPolarHBondContact O-CB 3.27Å; T138-Y141 PolarHBondContact O-N 2.82Å; S139-Y141 VanDerWaalsContact C-N 3.26Å; S139-Y141 PolarHBondContact O-N 2.91Å; Y141-M144 PolarHBondContact O-N 3.45Å; Y141-L145 HydrophobicContact CE1-CD2 4.14Å; Y141-L145 WeakPolarHBondContact O-CB 3.31Å; Y141-L145 PolarHBondContact O-N 3.36Å; Y141-I165 HydrophobicContact CE1-CD1 4.04Å |
| 142 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 179 | -69.9 | 177 | 0 | 0 | 0 | 112.4 | T138 S139 M144 L145 A146 I165 L168 I172 A208 I212 | T138-L142 PolarHBondContact O-N 3.28Å; T138-L142 VanDerWaalsContact O-N 3.12Å; S139-L142 PolarHBondContact O-N 3.01Å; S139-L142 VanDerWaalsContact O-N 3.17Å; L142-M144 PolarHBondContact O-N 2.96Å; L142-L145 HydrophobicContact CD2-CD2 4.36Å; L142-L145 WeakPolarHBondContact O-CB 3.33Å; L142-L145 PolarHBondContact O-N 3.04Å; L142-A146 WeakPolarHBondContact O-CB 3.22Å; L142-A146 PolarHBondContact O-N 2.98Å; L142-I165 HydrophobicContact CD2-CD1 4.15Å; L142-I165 HydrophobicContact CD2-CG2 3.93Å; L142-L168 HydrophobicContact CD1-CB 4.09Å; L142-L168 HydrophobicContact CD2-CB 4.26Å; L142-L168 HydrophobicContact CD2-CD1 4.32Å; L142-I172 HydrophobicContact CD1-CD1 3.68Å; L142-I172 HydrophobicContact CD1-CG1 4.08Å; L142-A208 HydrophobicContact CB-CB 4.04Å; L142-I212 HydrophobicContact CD2-CD1 3.95Å |
| 143 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 176.2 | 176.2 | 59.7 | 0 | 0 | 0 | 111.3 | S139 I140 A146 Q147 M204 A207 A208 A211 P266 A267 | S139-L143 WeakPolarHBondContact O-CB 3.33Å; S139-L143 PolarHBondContact O-N 3.05Å; I140-L143 HydrophobicContact CD1-CD2 4.1Å; L143-A146 PolarHBondContact O-N 3.13Å; L143-Q147 WeakPolarHBondContact O-CG 3.41Å; L143-Q147 PolarHBondContact O-N 2.93Å; L143-Q147 VanDerWaalsContact O-N 3.08Å; L143-M204 HydrophobicContact CD2-SD 3.63Å; L143-A207 HydrophobicContact CD1-CB 4.31Å; L143-A207 HydrophobicContact CD2-CB 4.04Å; L143-A208 HydrophobicContact CB-CB 4.04Å; L143-A211 HydrophobicContact CD1-CB 3.48Å; L143-A211 VanDerWaalsContact CD1-CB 3.48Å; L143-P266 HydrophobicContact CD2-CB 4.36Å; L143-A267 HydrophobicContact CD2-CB 4.38Å |
| 144 | M | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -74.7 | -32.5 | 179.5 | -67 | -62.8 | 99.5 | 0 | 0 | 112.5 | V48 L52 M85 I140 Y141 L142 A146 Q147 M148 P266 | V48-M144 HydrophobicContact CG1-CB 3.75Å; V48-M144 HydrophobicContact CG1-CG 3.52Å; L52-M144 HydrophobicContact CD1-SD 4.36Å; L52-M144 HydrophobicContact CD2-CG 4.05Å; L52-M144 HydrophobicContact CD2-SD 3.5Å; L52-M144 WeakPolarHBondContact CD2-SD 3.5Å; M85-M144 HydrophobicContact CE-CB 4.49Å; I140-M144 HydrophobicContact CD1-CE 4.25Å; I140-M144 HydrophobicContact CD1-CG 3.86Å; I140-M144 HydrophobicContact CG1-CG 4.2Å; I140-M144 WeakPolarHBondContact O-CB 3.5Å; I140-M144 WeakPolarHBondContact O-CG 3.33Å; I140-M144 PolarHBondContact O-N 3.39Å; Y141-M144 PolarHBondContact O-N 3.45Å; L142-M144 PolarHBondContact O-N 2.96Å; M144-A146 VanDerWaalsContact C-N 3.27Å; M144-A146 PolarHBondContact O-N 3.21Å; M144-Q147 HydrophobicContact CE-CB 4.48Å; M144-Q147 HydrophobicContact CE-CG 3.99Å; M144-Q147 PolarHBondContact O-N 3.31Å; M144-M148 HydrophobicContact CB-CE 4.21Å; M144-M148 WeakPolarHBondContact O-CB 3.3Å; M144-M148 WeakPolarHBondContact O-CG 3.22Å; M144-M148 PolarHBondContact O-N 3.31Å; M144-P266 HydrophobicContact CE-CB 3.68Å; M144-P266 HydrophobicContact SD-CB 4.5Å |
| 145 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55.7 | -46.3 | 169.2 | 174.5 | 65.8 | 0 | 0 | 0 | 110.3 | M85 Y141 L142 T149 I155 I156 I165 L217 | M85-L145 HydrophobicContact CE-CB 4.32Å; Y141-L145 HydrophobicContact CE1-CD2 4.14Å; Y141-L145 WeakPolarHBondContact O-CB 3.31Å; Y141-L145 PolarHBondContact O-N 3.36Å; L142-L145 HydrophobicContact CD2-CD2 4.36Å; L142-L145 WeakPolarHBondContact O-CB 3.33Å; L142-L145 PolarHBondContact O-N 3.04Å; L145-T149 VanDerWaalsContact O-CB 3.27Å; L145-T149 WeakPolarHBondContact O-CB 3.36Å; L145-T149 PolarHBondContact O-N 2.87Å; L145-T149 PolarHBondContact O-OG1 3.49Å; L145-I155 HydrophobicContact CD1-CB 3.75Å; L145-I155 HydrophobicContact CD1-CD1 3.83Å; L145-I155 HydrophobicContact CD1-CG1 4.38Å; L145-I155 HydrophobicContact CD1-CG2 3.65Å; L145-I156 HydrophobicContact CD1-CD1 4.15Å; L145-I156 HydrophobicContact CD1-CG1 4.13Å; L145-I156 HydrophobicContact CD2-CD1 4.23Å; L145-I156 HydrophobicContact CD2-CG1 4.43Å; L145-I165 HydrophobicContact CD2-CD1 3.74Å; L145-I165 HydrophobicContact CD2-CG1 4.18Å; L145-I165 HydrophobicContact CD2-CG2 4.3Å; L145-L217 HydrophobicContact CD2-CD2 4.3Å |
| 146 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.9 | -50.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L142 L143 M144 M148 T149 A150 A211 I212 L215 L426 | L142-A146 WeakPolarHBondContact O-CB 3.22Å; L142-A146 PolarHBondContact O-N 2.98Å; L143-A146 PolarHBondContact O-N 3.13Å; M144-A146 VanDerWaalsContact C-N 3.27Å; M144-A146 PolarHBondContact O-N 3.21Å; A146-M148 PolarHBondContact O-N 2.76Å; A146-T149 PolarHBondContact O-N 3.08Å; A146-A150 WeakPolarHBondContact O-CB 3.03Å; A146-A150 PolarHBondContact O-N 3.13Å; A146-A211 HydrophobicContact CB-CB 3.89Å; A146-I212 HydrophobicContact CB-CB 4.41Å; A146-L215 VanDerWaalsContact CA-CD2 3.46Å; A146-L215 HydrophobicContact CB-CD2 3.66Å; A146-L426 HydrophobicContact CB-CD1 3.86Å |
| 147 | Q | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 178.8 | -65.2 | -74.9 | 15.9 | 0 | 0 | 112.4 | W55 L143 M144 A150 S151 D424 P425 L426 | W55-Q147 HydrophobicContact CH2-CB 4.06Å; L143-Q147 WeakPolarHBondContact O-CG 3.41Å; L143-Q147 PolarHBondContact O-N 2.93Å; L143-Q147 VanDerWaalsContact O-N 3.08Å; M144-Q147 HydrophobicContact CE-CB 4.48Å; M144-Q147 HydrophobicContact CE-CG 3.99Å; M144-Q147 PolarHBondContact O-N 3.31Å; Q147-A150 PolarHBondContact O-N 2.81Å; Q147-S151 PolarHBondContact O-N 2.75Å; Q147-D424 PolarHBondContact NE2-OD1 3.45Å; Q147-P425 VanDerWaalsContact O-CG 3.26Å; Q147-P425 WeakPolarHBondContact O-CG 3.44Å; Q147-L426 HydrophobicContact CG-CD1 4.37Å; Q147-L426 VanDerWaalsContact OE1-N 3.14Å |
| 148 | M | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.2 | -41.7 | 178.5 | -71.5 | 173.2 | -173.9 | 0 | 0 | 111.6 | V51 L52 W55 V81 M85 M144 A146 S151 G152 L153 I155 | V51-M148 HydrophobicContact CG1-CE 3.81Å; L52-M148 HydrophobicContact CD2-CE 3.89Å; W55-M148 HydrophobicContact CB-CE 4.27Å; W55-M148 HydrophobicContact CD2-CE 4.19Å; W55-M148 HydrophobicContact CD2-CG 3.99Å; W55-M148 HydrophobicContact CE3-CE 4.14Å; W55-M148 HydrophobicContact CE3-CG 4.43Å; W55-M148 HydrophobicContact CG-CE 4.26Å; W55-M148 HydrophobicContact CG-CG 4.29Å; W55-M148 HydrophobicContact CZ2-CG 4.23Å; V81-M148 HydrophobicContact CG1-CE 3.95Å; V81-M148 HydrophobicContact CG1-SD 3.59Å; V81-M148 VanDerWaalsContact CG1-SD 3.59Å; M85-M148 HydrophobicContact CE-SD 4.33Å; M85-M148 HydrophobicContact CG-SD 4Å; M85-M148 HydrophobicContact SD-SD 4.36Å; M144-M148 HydrophobicContact CB-CE 4.21Å; M144-M148 WeakPolarHBondContact O-CB 3.3Å; M144-M148 WeakPolarHBondContact O-CG 3.22Å; M144-M148 PolarHBondContact O-N 3.31Å; A146-M148 PolarHBondContact O-N 2.76Å; M148-S151 PolarHBondContact O-N 2.86Å; M148-S151 VanDerWaalsContact O-N 3.16Å; M148-S151 PolarHBondContact O-OG 2.97Å; M148-G152 PolarHBondContact O-N 3.42Å; M148-L153 HydrophobicContact CB-CB 4.39Å; M148-L153 HydrophobicContact CB-CD2 4.21Å; M148-L153 HydrophobicContact CG-CD2 4.44Å; M148-L153 WeakPolarHBondContact O-CB 3.15Å; M148-L153 PolarHBondContact O-N 3.31Å; M148-I155 HydrophobicContact CB-CD1 3.72Å; M148-I155 HydrophobicContact SD-CD1 4.09Å |
| 149 | T | 97.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.9 | -55.8 | 0 | 0 | 0 | 0 | 111 | L145 A146 S151 G152 L153 | L145-T149 VanDerWaalsContact O-CB 3.27Å; L145-T149 WeakPolarHBondContact O-CB 3.36Å; L145-T149 PolarHBondContact O-N 2.87Å; L145-T149 PolarHBondContact O-OG1 3.49Å; A146-T149 PolarHBondContact O-N 3.08Å; T149-S151 PolarHBondContact O-N 3.18Å; T149-G152 WeakPolarHBondContact O-CA 3.34Å; T149-G152 PolarHBondContact O-N 3.03Å; T149-L153 WeakPolarHBondContact CA-O 3.45Å |
| 150 | A | 96.4 | Very high | 96.5 | Very high | 43 Ų | 43 | 24.3 Ų | 24.3 | 36% | 0.355 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.6 | -28.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A146 Q147 G152 P425 L426 | A146-A150 WeakPolarHBondContact O-CB 3.03Å; A146-A150 PolarHBondContact O-N 3.13Å; Q147-A150 PolarHBondContact O-N 2.81Å; A150-G152 PolarHBondContact O-N 2.83Å; A150-P425 HydrophobicContact CB-CB 4.16Å; A150-P425 HydrophobicContact CB-CG 3.86Å; A150-L426 HydrophobicContact CB-CD2 3.7Å; A150-L426 HydrophobicContact CB-CG 3.92Å |
| 151 | S | 95 | Very high | 96.4 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 13% | 0.133 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.4 | 171.6 | 79.7 | 0 | 0 | 0 | 0 | 114.3 | W55 R62 Q147 M148 T149 | W55-S151 PolarHBondContact NE1-OG 3.21Å; W55-S151 VanDerWaalsContact NE1-OG 3.17Å; R62-S151 PolarHBondContact NH1-O 2.89Å; Q147-S151 PolarHBondContact O-N 2.75Å; M148-S151 PolarHBondContact O-N 2.86Å; M148-S151 VanDerWaalsContact O-N 3.16Å; M148-S151 PolarHBondContact O-OG 2.97Å; T149-S151 PolarHBondContact O-N 3.18Å |
| 152 | G | 94 | Very high | 96.3 | Very high | 52 Ų | 52 | 26.6 Ų | 26.6 | 54% | 0.536 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | 13.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | M148 T149 A150 | M148-G152 PolarHBondContact O-N 3.42Å; T149-G152 WeakPolarHBondContact O-CA 3.34Å; T149-G152 PolarHBondContact O-N 3.03Å; A150-G152 PolarHBondContact O-N 2.83Å |
| 153 | L | 95.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | trans | -79.2 | 133.8 | 171.9 | -85.4 | 61.2 | 0 | 0 | 0 | 110.1 | M59 E78 V81 V82 M148 T149 I155 | M59-L153 HydrophobicContact CE-CD1 4.23Å; E78-L153 HydrophobicContact CG-CD1 4.34Å; V81-L153 HydrophobicContact CB-CD2 4.07Å; V81-L153 HydrophobicContact CG1-CD2 3.73Å; V82-L153 HydrophobicContact CG2-CB 4.29Å; V82-L153 HydrophobicContact CG2-CD2 4.25Å; V82-L153 HydrophobicContact CG2-CG 4.25Å; M148-L153 HydrophobicContact CB-CB 4.39Å; M148-L153 HydrophobicContact CB-CD2 4.21Å; M148-L153 HydrophobicContact CG-CD2 4.44Å; M148-L153 WeakPolarHBondContact O-CB 3.15Å; M148-L153 PolarHBondContact O-N 3.31Å; T149-L153 WeakPolarHBondContact CA-O 3.45Å; L153-I155 HydrophobicContact CB-CD1 4.45Å; L153-I155 HydrophobicContact CB-CG1 4.28Å; L153-I155 PolarHBondContact O-N 3.01Å | ||
| 154 | Q | 93.4 | Very high | 96.2 | Very high | 116 Ų | 116 | 27.3 Ų | 27.3 | 54% | 0.542 | 17% | 0.168 | S | C | . | . | trans | -94.4 | 95.7 | 173.6 | -69 | -176.9 | -28.5 | 0 | 0 | 109.6 | V82 H221 | V82-Q154 WeakPolarHBondContact CG1-O 3.48Å; Q154-H221 PolarHBondContact NE2-CD2 3.23Å | ||
| 155 | I | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -96.7 | -45.3 | -178.8 | -61.9 | 168.7 | 0 | 0 | 0 | 110.9 | V82 M85 Q86 L145 M148 L153 | V82-I155 HydrophobicContact CG2-CG1 4.2Å; M85-I155 HydrophobicContact CB-CD1 4.17Å; M85-I155 HydrophobicContact CB-CG1 4.5Å; M85-I155 HydrophobicContact CB-CG2 3.75Å; M85-I155 HydrophobicContact CG-CD1 4.19Å; Q86-I155 HydrophobicContact CG-CG2 4.23Å; Q86-I155 WeakPolarHBondContact CG-O 3.47Å; Q86-I155 PolarHBondContact NE2-O 3.5Å; L145-I155 HydrophobicContact CD1-CB 3.75Å; L145-I155 HydrophobicContact CD1-CD1 3.83Å; L145-I155 HydrophobicContact CD1-CG1 4.38Å; L145-I155 HydrophobicContact CD1-CG2 3.65Å; M148-I155 HydrophobicContact CB-CD1 3.72Å; M148-I155 HydrophobicContact SD-CD1 4.09Å; L153-I155 HydrophobicContact CB-CD1 4.45Å; L153-I155 HydrophobicContact CB-CG1 4.28Å; L153-I155 PolarHBondContact O-N 3.01Å | ||
| 156 | I | 97.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | trans | -87.9 | 137.5 | 179.6 | -53.1 | -58.2 | 0 | 0 | 0 | 109.6 | L89 L145 E161 V162 I165 L217 F218 | L89-I156 HydrophobicContact CD2-CD1 3.67Å; L145-I156 HydrophobicContact CD1-CD1 4.15Å; L145-I156 HydrophobicContact CD1-CG1 4.13Å; L145-I156 HydrophobicContact CD2-CD1 4.23Å; L145-I156 HydrophobicContact CD2-CG1 4.43Å; I156-E161 HydrophobicContact CG2-CB 3.71Å; I156-V162 HydrophobicContact CG2-CG2 3.97Å; I156-I165 HydrophobicContact CD1-CD1 4.23Å; I156-I165 HydrophobicContact CD1-CG1 3.95Å; I156-L217 HydrophobicContact CB-CB 4.11Å; I156-L217 HydrophobicContact CG1-CB 4.1Å; I156-L217 HydrophobicContact CG1-CD1 4.25Å; I156-L217 HydrophobicContact CG1-CD2 4.45Å; I156-L217 HydrophobicContact CG2-CB 4.33Å; I156-F218 HydrophobicContact CG2-CE1 4.01Å; I156-F218 WeakPolarHBondContact O-CD1 3.36Å | ||
| 157 | S | 91.5 | Very high | 96.1 | Very high | 74 Ų | 74 | 27.5 Ų | 27.5 | 52% | 0.517 | 17% | 0.169 | S | C | . | . | trans | -117.7 | -22.6 | -166.3 | 70.2 | 0 | 0 | 0 | 0 | 114.7 | E161 | S157-E161 PolarHBondContact N-OE2 3.3Å; S157-E161 VanDerWaalsContact OG-CD 3.28Å; S157-E161 PolarHBondContact OG-OE1 2.86Å; S157-E161 PolarHBondContact OG-OE2 2.96Å | ||
| 158 | N | 94.4 | Very high | 96.1 | Very high | 55 Ų | 55 | 27.4 Ų | 27.4 | 29% | 0.294 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -150.7 | 165.3 | -175.8 | 64.4 | 75.1 | 0 | 0 | 0 | 112.7 | D160 E161 V162 | N158-D160 VanDerWaalsContact C-N 3.32Å; N158-D160 PolarHBondContact O-N 3.35Å; N158-D160 WeakPolarHBondContact OD1-CB 3.43Å; N158-D160 PolarHBondContact OD1-N 3.19Å; N158-D160 VanDerWaalsContact OD1-N 3.1Å; N158-E161 PolarHBondContact ND2-OE1 2.99Å; N158-E161 VanDerWaalsContact ND2-OE1 3.1Å; N158-E161 WeakPolarHBondContact O-CB 3.44Å; N158-E161 PolarHBondContact O-N 3.16Å; N158-E161 PolarHBondContact OD1-N 3.39Å; N158-V162 PolarHBondContact O-N 3.03Å; N158-V162 VanDerWaalsContact O-N 3.17Å |
| 159 | L | 93.4 | Very high | 96.1 | Very high | 81 Ų | 81 | 27.4 Ų | 27.4 | 42% | 0.424 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -70.3 | -24.2 | -176.6 | -66.9 | 177.1 | 0 | 0 | 0 | 113.8 | E161 V162 A163 F218 K225 | L159-E161 VanDerWaalsContact C-N 3.33Å; L159-V162 HydrophobicContact CD2-CG2 4.36Å; L159-V162 WeakPolarHBondContact O-CB 3.4Å; L159-V162 PolarHBondContact O-N 2.85Å; L159-A163 PolarHBondContact O-N 3.43Å; L159-F218 HydrophobicContact CD2-CE2 4Å; L159-F218 HydrophobicContact CD2-CZ 4.2Å; L159-K225 HydrophobicContact CD1-CB 4.49Å; L159-K225 HydrophobicContact CD1-CD 4.42Å; L159-K225 HydrophobicContact CD2-CB 3.97Å |
| 160 | D | 95.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 27.4 Ų | 27.4 | 27% | 0.267 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -69.2 | -37.7 | 175.9 | -55 | -31 | 0 | 0 | 0 | 109.5 | N158 A163 F164 K491 L492 | N158-D160 VanDerWaalsContact C-N 3.32Å; N158-D160 PolarHBondContact O-N 3.35Å; N158-D160 WeakPolarHBondContact OD1-CB 3.43Å; N158-D160 PolarHBondContact OD1-N 3.19Å; N158-D160 VanDerWaalsContact OD1-N 3.1Å; D160-A163 PolarHBondContact O-N 3.16Å; D160-F164 PolarHBondContact O-N 2.94Å; D160-K491 VanDerWaalsContact CG-NZ 3.29Å; D160-K491 IonicContact OD1-NZ 2.93Å; D160-K491 PolarHBondContact OD1-NZ 3.25Å; D160-K491 WeakPolarHBondContact OD2-CD 3.33Å; D160-K491 IonicContact OD2-NZ 3.24Å; D160-K491 PolarHBondContact OD2-NZ 3.36Å; D160-L492 HydrophobicContact CB-CD1 4.3Å; D160-L492 WeakPolarHBondContact O-CD1 3.28Å |
| 161 | E | 96.9 | Very high | 96 | Very high | 43 Ų | 43 | 25.6 Ų | 25.6 | 20% | 0.201 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.1 | -39 | 170.5 | -70.6 | 169.7 | -176.6 | 0 | 0 | 112.4 | L89 I156 S157 N158 L159 A163 F164 I165 | L89-E161 HydrophobicContact CD2-CB 4.3Å; L89-E161 HydrophobicContact CD2-CG 4Å; I156-E161 HydrophobicContact CG2-CB 3.71Å; S157-E161 PolarHBondContact N-OE2 3.3Å; S157-E161 VanDerWaalsContact OG-CD 3.28Å; S157-E161 PolarHBondContact OG-OE1 2.86Å; S157-E161 PolarHBondContact OG-OE2 2.96Å; N158-E161 PolarHBondContact ND2-OE1 2.99Å; N158-E161 VanDerWaalsContact ND2-OE1 3.1Å; N158-E161 WeakPolarHBondContact O-CB 3.44Å; N158-E161 PolarHBondContact O-N 3.16Å; N158-E161 PolarHBondContact OD1-N 3.39Å; L159-E161 VanDerWaalsContact C-N 3.33Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 3.46Å; E161-F164 WeakPolarHBondContact O-CB 3.37Å; E161-F164 PolarHBondContact O-N 2.87Å; E161-I165 WeakPolarHBondContact O-CG1 3.14Å; E161-I165 PolarHBondContact O-N 3.03Å |
| 162 | V | 96.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 172.6 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | I156 N158 L159 F164 I165 Q166 L217 F218 I228 | I156-V162 HydrophobicContact CG2-CG2 3.97Å; N158-V162 PolarHBondContact O-N 3.03Å; N158-V162 VanDerWaalsContact O-N 3.17Å; L159-V162 HydrophobicContact CD2-CG2 4.36Å; L159-V162 WeakPolarHBondContact O-CB 3.4Å; L159-V162 PolarHBondContact O-N 2.85Å; V162-F164 VanDerWaalsContact C-N 3.29Å; V162-F164 PolarHBondContact O-N 3.08Å; V162-I165 PolarHBondContact O-N 3.09Å; V162-Q166 PolarHBondContact O-N 3.11Å; V162-L217 HydrophobicContact CB-CD1 4.37Å; V162-L217 HydrophobicContact CG1-CD1 4.26Å; V162-L217 HydrophobicContact CG2-CB 4.34Å; V162-L217 HydrophobicContact CG2-CD1 4.16Å; V162-F218 HydrophobicContact CG2-CE1 4.15Å; V162-F218 HydrophobicContact CG2-CZ 4.06Å; V162-I228 HydrophobicContact CG1-CD1 4.07Å |
| 163 | A | 96 | Very high | 96.1 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 12% | 0.116 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.3 | -37.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | L159 D160 E161 Q166 N167 C489 | L159-A163 PolarHBondContact O-N 3.43Å; D160-A163 PolarHBondContact O-N 3.16Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 3.46Å; A163-Q166 PolarHBondContact O-N 3.02Å; A163-N167 PolarHBondContact O-N 3.38Å; A163-N167 PolarHBondContact O-ND2 3.24Å; A163-C489 HydrophobicContact CB-CB 3.75Å |
| 164 | F | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 173.4 | -175.5 | -100 | 0 | 0 | 0 | 112.1 | L89 M92 T93 V96 V99 D160 E161 V162 Q166 N167 L168 L492 L494 | L89-F164 HydrophobicContact CD1-CD1 3.65Å; L89-F164 HydrophobicContact CD1-CE1 3.91Å; M92-F164 VanDerWaalsContact C-CZ 3.4Å; M92-F164 HydrophobicContact CB-CE1 3.84Å; M92-F164 HydrophobicContact CB-CZ 3.82Å; M92-F164 WeakPolarHBondContact O-CZ 3.45Å; T93-F164 HydrophobicContact CG2-CD2 4.47Å; T93-F164 WeakPolarHBondContact OG1-CE1 3.15Å; V96-F164 HydrophobicContact CB-CE2 4.26Å; V96-F164 HydrophobicContact CG2-CD2 4.15Å; V96-F164 HydrophobicContact CG2-CE2 4.16Å; V99-F164 HydrophobicContact CG2-CE2 3.93Å; V99-F164 HydrophobicContact CG2-CZ 4.07Å; D160-F164 PolarHBondContact O-N 2.94Å; E161-F164 WeakPolarHBondContact O-CB 3.37Å; E161-F164 PolarHBondContact O-N 2.87Å; V162-F164 VanDerWaalsContact C-N 3.29Å; V162-F164 PolarHBondContact O-N 3.08Å; F164-Q166 VanDerWaalsContact C-N 3.35Å; F164-Q166 PolarHBondContact O-N 3.34Å; F164-N167 PolarHBondContact O-N 2.92Å; F164-N167 VanDerWaalsContact O-N 3.12Å; F164-L168 HydrophobicContact CD1-CD1 4.2Å; F164-L168 HydrophobicContact CD1-CG 4.25Å; F164-L168 HydrophobicContact CE1-CD1 3.71Å; F164-L168 HydrophobicContact CE1-CD2 4.12Å; F164-L168 HydrophobicContact CE1-CG 3.87Å; F164-L168 HydrophobicContact CZ-CD1 4.45Å; F164-L168 HydrophobicContact CZ-CD2 4.03Å; F164-L168 HydrophobicContact CZ-CG 4.25Å; F164-L168 PolarHBondContact O-N 3.18Å; F164-L492 HydrophobicContact CB-CD1 4.11Å; F164-L494 HydrophobicContact CD2-CD1 4.31Å |
| 165 | I | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 175.2 | -65.3 | -59.6 | 0 | 0 | 0 | 111.2 | L89 Y141 L142 L145 I156 E161 V162 N167 L168 V169 I212 L217 I228 | L89-I165 HydrophobicContact CD1-CD1 3.83Å; Y141-I165 HydrophobicContact CE1-CD1 4.04Å; L142-I165 HydrophobicContact CD2-CD1 4.15Å; L142-I165 HydrophobicContact CD2-CG2 3.93Å; L145-I165 HydrophobicContact CD2-CD1 3.74Å; L145-I165 HydrophobicContact CD2-CG1 4.18Å; L145-I165 HydrophobicContact CD2-CG2 4.3Å; I156-I165 HydrophobicContact CD1-CD1 4.23Å; I156-I165 HydrophobicContact CD1-CG1 3.95Å; E161-I165 WeakPolarHBondContact O-CG1 3.14Å; E161-I165 PolarHBondContact O-N 3.03Å; V162-I165 PolarHBondContact O-N 3.09Å; I165-N167 PolarHBondContact O-N 3.37Å; I165-L168 HydrophobicContact CD1-CD1 4.14Å; I165-L168 WeakPolarHBondContact O-CA 3.45Å; I165-L168 WeakPolarHBondContact O-CB 3.24Å; I165-L168 PolarHBondContact O-N 2.89Å; I165-V169 PolarHBondContact O-N 3.29Å; I165-I212 HydrophobicContact CG2-CD1 3.56Å; I165-L217 HydrophobicContact CB-CD1 3.81Å; I165-L217 HydrophobicContact CG1-CD1 4.06Å; I165-L217 HydrophobicContact CG2-CD1 3.73Å; I165-I228 HydrophobicContact CB-CD1 4.36Å; I165-I228 HydrophobicContact CG2-CD1 4.03Å; I165-I228 HydrophobicContact CG2-CG1 4.23Å |
| 166 | Q | 97.8 | Very high | 95 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 2% | 0.023 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.9 | -34.6 | 174.3 | -174.3 | 63.5 | 70.5 | 0 | 0 | 112.1 | V162 A163 F164 V169 F170 I228 H229 L486 | V162-Q166 PolarHBondContact O-N 3.11Å; A163-Q166 PolarHBondContact O-N 3.02Å; F164-Q166 VanDerWaalsContact C-N 3.35Å; F164-Q166 PolarHBondContact O-N 3.34Å; Q166-V169 WeakPolarHBondContact O-CB 3.36Å; Q166-V169 PolarHBondContact O-N 3.11Å; Q166-F170 HydrophobicContact CG-CE2 4.04Å; Q166-F170 HydrophobicContact CG-CZ 3.76Å; Q166-F170 WeakPolarHBondContact O-CD2 3.35Å; Q166-F170 PolarHBondContact O-N 3.43Å; Q166-I228 HydrophobicContact CB-CD1 3.86Å; Q166-H229 PolarHBondContact NE2-O 3.37Å; Q166-L486 HydrophobicContact CG-CD1 4.22Å; Q166-L486 HydrophobicContact CG-CD2 4.47Å; Q166-L486 HydrophobicContact CG-CG 3.96Å |
| 167 | N | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -76.6 | -27.7 | 173.6 | -78.3 | -96.9 | 0 | 0 | 0 | 113.1 | V99 K103 A163 F164 I165 V169 F170 Y171 G487 L494 | V99-N167 HydrophobicContact CG1-CB 4.02Å; K103-N167 PolarHBondContact NZ-OD1 2.6Å; A163-N167 PolarHBondContact O-N 3.38Å; A163-N167 PolarHBondContact O-ND2 3.24Å; F164-N167 PolarHBondContact O-N 2.92Å; F164-N167 VanDerWaalsContact O-N 3.12Å; I165-N167 PolarHBondContact O-N 3.37Å; N167-V169 VanDerWaalsContact C-N 3.28Å; N167-F170 HydrophobicContact CB-CD2 4.43Å; N167-F170 PolarHBondContact O-N 3.1Å; N167-Y171 PolarHBondContact O-N 2.74Å; N167-G487 PolarHBondContact ND2-O 3.21Å; N167-L494 HydrophobicContact CB-CD1 4.25Å; N167-L494 HydrophobicContact CB-CD2 4.24Å |
| 168 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.2 | -29.5 | 168.5 | -68.4 | -173.9 | 0 | 0 | 0 | 112.2 | M92 V99 L112 T138 L142 F164 I165 Y171 I172 | M92-L168 HydrophobicContact CE-CD1 4.36Å; M92-L168 HydrophobicContact SD-CD1 4.12Å; V99-L168 HydrophobicContact CG1-CD2 4.35Å; V99-L168 HydrophobicContact CG2-CD2 4.01Å; L112-L168 HydrophobicContact CD1-CD2 3.81Å; T138-L168 HydrophobicContact CG2-CD2 4.35Å; L142-L168 HydrophobicContact CD1-CB 4.09Å; L142-L168 HydrophobicContact CD2-CB 4.26Å; L142-L168 HydrophobicContact CD2-CD1 4.32Å; F164-L168 HydrophobicContact CD1-CD1 4.2Å; F164-L168 HydrophobicContact CD1-CG 4.25Å; F164-L168 HydrophobicContact CE1-CD1 3.71Å; F164-L168 HydrophobicContact CE1-CD2 4.12Å; F164-L168 HydrophobicContact CE1-CG 3.87Å; F164-L168 HydrophobicContact CZ-CD1 4.45Å; F164-L168 HydrophobicContact CZ-CD2 4.03Å; F164-L168 HydrophobicContact CZ-CG 4.25Å; F164-L168 PolarHBondContact O-N 3.18Å; I165-L168 HydrophobicContact CD1-CD1 4.14Å; I165-L168 WeakPolarHBondContact O-CA 3.45Å; I165-L168 WeakPolarHBondContact O-CB 3.24Å; I165-L168 PolarHBondContact O-N 2.89Å; L168-Y171 VanDerWaalsContact O-CB 3.29Å; L168-Y171 WeakPolarHBondContact O-CB 3.04Å; L168-Y171 PolarHBondContact O-N 3.31Å; L168-I172 PolarHBondContact O-N 3.44Å; L168-I172 VanDerWaalsContact O-N 3.15Å |
| 169 | V | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61 | -48 | 168.7 | 168.3 | 0 | 0 | 0 | 0 | 110.1 | I165 Q166 N167 Y171 I172 E173 L209 I212 I228 V230 | I165-V169 PolarHBondContact O-N 3.29Å; Q166-V169 WeakPolarHBondContact O-CB 3.36Å; Q166-V169 PolarHBondContact O-N 3.11Å; N167-V169 VanDerWaalsContact C-N 3.28Å; V169-Y171 PolarHBondContact O-N 2.8Å; V169-I172 WeakPolarHBondContact O-CG1 3.22Å; V169-I172 PolarHBondContact O-N 3.04Å; V169-I172 VanDerWaalsContact O-N 3.09Å; V169-E173 WeakPolarHBondContact O-CB 3.28Å; V169-E173 PolarHBondContact O-N 3.49Å; V169-L209 HydrophobicContact CG1-CD2 3.81Å; V169-I212 HydrophobicContact CG2-CD1 4.43Å; V169-I212 HydrophobicContact CG2-CG2 3.87Å; V169-I228 HydrophobicContact CG2-CG2 3.8Å; V169-V230 HydrophobicContact CG1-CG2 3.86Å |
| 170 | F | 96.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 8.9 Ų | 8.9 | 2% | 0.018 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.2 | -26.1 | 176.1 | -51 | -35.6 | 0 | 0 | 0 | 113.4 | K103 Q166 N167 L486 R497 | K103-F170 HydrophobicContact CD-CB 3.94Å; K103-F170 HydrophobicContact CD-CD2 4.18Å; K103-F170 HydrophobicContact CG-CB 4.12Å; Q166-F170 HydrophobicContact CG-CE2 4.04Å; Q166-F170 HydrophobicContact CG-CZ 3.76Å; Q166-F170 WeakPolarHBondContact O-CD2 3.35Å; Q166-F170 PolarHBondContact O-N 3.43Å; N167-F170 HydrophobicContact CB-CD2 4.43Å; N167-F170 PolarHBondContact O-N 3.1Å; F170-L486 HydrophobicContact CE1-CD2 4.17Å; F170-L486 VanDerWaalsContact CE2-O 3.3Å; F170-L486 WeakPolarHBondContact CE2-O 3.41Å; F170-L486 HydrophobicContact CZ-CB 4.26Å; F170-L486 HydrophobicContact CZ-CD2 3.89Å; F170-L486 HydrophobicContact CZ-CG 3.89Å; F170-L486 WeakPolarHBondContact CZ-O 3.44Å; F170-R497 HydrophobicContact CD1-CB 4.32Å; F170-R497 HydrophobicContact CD1-CG 3.93Å; F170-R497 HydrophobicContact CD2-CB 4.26Å; F170-R497 HydrophobicContact CE1-CB 3.85Å; F170-R497 HydrophobicContact CE1-CG 3.75Å; F170-R497 HydrophobicContact CE2-CB 3.79Å; F170-R497 HydrophobicContact CE2-CG 4.44Å; F170-R497 HydrophobicContact CG-CG 4.37Å; F170-R497 HydrophobicContact CZ-CB 3.56Å; F170-R497 HydrophobicContact CZ-CG 4.03Å |
| 171 | Y | 95.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 8 Ų | 8 | 2% | 0.016 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -67 | -39.4 | 173.5 | -174.7 | -83.5 | 0 | 0 | 0 | 111.9 | V99 F102 C111 L112 T138 N167 L168 V169 | V99-Y171 HydrophobicContact CG1-CD2 4.46Å; F102-Y171 HydrophobicContact CB-CD2 3.91Å; F102-Y171 HydrophobicContact CB-CE2 3.61Å; F102-Y171 HydrophobicContact CD1-CD1 4.43Å; F102-Y171 AromaticContact CD1-CD2 3.29Å; F102-Y171 HydrophobicContact CD1-CD2 3.29Å; F102-Y171 HydrophobicContact CD1-CE1 4.32Å; F102-Y171 AromaticContact CD1-CE2 3.12Å; F102-Y171 HydrophobicContact CD1-CE2 3.12Å; F102-Y171 AromaticContact CD1-CG 3.95Å; F102-Y171 HydrophobicContact CD1-CG 3.95Å; F102-Y171 AromaticContact CD1-CZ 3.66Å; F102-Y171 HydrophobicContact CD2-CE2 4.02Å; F102-Y171 HydrophobicContact CE1-CD1 4.39Å; F102-Y171 HydrophobicContact CE1-CD2 4.03Å; F102-Y171 HydrophobicContact CE1-CE1 4.12Å; F102-Y171 AromaticContact CE1-CE2 3.72Å; F102-Y171 HydrophobicContact CE1-CE2 3.72Å; F102-Y171 HydrophobicContact CE1-CG 4.32Å; F102-Y171 AromaticContact CE1-CZ 3.73Å; F102-Y171 AromaticContact CG-CD2 3.8Å; F102-Y171 HydrophobicContact CG-CD2 3.8Å; F102-Y171 AromaticContact CG-CE2 3.29Å; F102-Y171 HydrophobicContact CG-CE2 3.29Å; F102-Y171 AromaticContact CG-CZ 3.98Å; F102-Y171 HydrophobicContact CZ-CE2 4.38Å; C111-Y171 WeakPolarHBondContact CA-OH 3.45Å; C111-Y171 WeakPolarHBondContact CB-OH 3.35Å; L112-Y171 HydrophobicContact CD1-CE2 4.4Å; L112-Y171 HydrophobicContact CG-CE2 4.12Å; L112-Y171 PolarHBondContact N-OH 3.39Å; T138-Y171 HydrophobicContact CG2-CD1 4.26Å; N167-Y171 PolarHBondContact O-N 2.74Å; L168-Y171 VanDerWaalsContact O-CB 3.29Å; L168-Y171 WeakPolarHBondContact O-CB 3.04Å; L168-Y171 PolarHBondContact O-N 3.31Å; V169-Y171 PolarHBondContact O-N 2.8Å |
| 172 | I | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -97.4 | -16.9 | -176.7 | 66.9 | 157.1 | 0 | 0 | 0 | 114.6 | V135 T138 L142 L168 V169 A174 A175 A205 A208 L209 | V135-I172 HydrophobicContact CG1-CG2 4.39Å; T138-I172 HydrophobicContact CG2-CG2 3.91Å; L142-I172 HydrophobicContact CD1-CD1 3.68Å; L142-I172 HydrophobicContact CD1-CG1 4.08Å; L168-I172 PolarHBondContact O-N 3.44Å; L168-I172 VanDerWaalsContact O-N 3.15Å; V169-I172 WeakPolarHBondContact O-CG1 3.22Å; V169-I172 PolarHBondContact O-N 3.04Å; V169-I172 VanDerWaalsContact O-N 3.09Å; I172-A174 PolarHBondContact O-N 3.27Å; I172-A174 VanDerWaalsContact O-N 3.13Å; I172-A175 WeakPolarHBondContact O-CB 3.3Å; I172-A175 PolarHBondContact O-N 3.49Å; I172-A205 HydrophobicContact CB-CB 4.45Å; I172-A208 HydrophobicContact CD1-CB 3.76Å; I172-L209 HydrophobicContact CD1-CD2 3.87Å; I172-L209 HydrophobicContact CD1-CG 3.91Å; I172-L209 HydrophobicContact CG1-CD2 3.88Å; I172-L209 HydrophobicContact CG1-CG 4.29Å |
| 173 | E | 92.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.8 | -177.8 | 74.9 | -172.9 | 176.4 | 0 | 0 | 112.9 | V169 A175 Y176 L209 E234 R500 | V169-E173 WeakPolarHBondContact O-CB 3.28Å; V169-E173 PolarHBondContact O-N 3.49Å; E173-A175 VanDerWaalsContact C-N 3.29Å; E173-A175 PolarHBondContact O-N 2.74Å; E173-Y176 VanDerWaalsContact O-CD1 3.24Å; E173-Y176 WeakPolarHBondContact O-CD1 3.39Å; E173-Y176 WeakPolarHBondContact O-CE1 3.43Å; E173-L209 HydrophobicContact CB-CD2 4.28Å; E173-E234 HydrophobicContact CB-CB 4.09Å; E173-E234 HydrophobicContact CB-CG 4.24Å; E173-E234 HydrophobicContact CG-CG 4.48Å; E173-R500 IonicContact OE1-CZ 2.74Å; E173-R500 IonicContact OE1-NH1 2.86Å; E173-R500 PolarHBondContact OE1-NH1 2.92Å; E173-R500 IonicContact OE1-NH2 3.13Å |
| 174 | A | 86.8 | Confident | 93.1 | Very high | 2 Ų | 2 | 6.5 Ų | 6.5 | 2% | 0.017 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 7.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I172 Y176 K177 V178 | I172-A174 PolarHBondContact O-N 3.27Å; I172-A174 VanDerWaalsContact O-N 3.13Å; A174-Y176 PolarHBondContact O-N 3.26Å; A174-K177 HydrophobicContact CB-CG 4.35Å; A174-K177 VanDerWaalsContact O-CG 3.28Å; A174-K177 WeakPolarHBondContact O-CG 3.38Å; A174-K177 PolarHBondContact O-N 2.65Å; A174-V178 HydrophobicContact CB-CG2 3.96Å; A174-V178 WeakPolarHBondContact O-CG2 3.39Å; A174-V178 PolarHBondContact O-N 2.77Å; A174-V178 VanDerWaalsContact O-N 3.15Å |
| 175 | A | 90.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 8.7 Ų | 8.7 | 3% | 0.025 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V135 I172 E173 K177 L197 A205 | V135-A175 HydrophobicContact CG1-CB 3.74Å; I172-A175 WeakPolarHBondContact O-CB 3.3Å; I172-A175 PolarHBondContact O-N 3.49Å; E173-A175 VanDerWaalsContact C-N 3.29Å; E173-A175 PolarHBondContact O-N 2.74Å; A175-K177 PolarHBondContact O-N 2.87Å; A175-L197 WeakPolarHBondContact O-CD1 3.23Å; A175-A205 HydrophobicContact CB-CB 3.36Å |
| 176 | Y | 85.4 | Confident | 92.1 | Very high | 5 Ų | 5 | 9.8 Ų | 9.8 | 2% | 0.02 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.3 | 178 | 66.4 | -99.5 | 0 | 0 | 0 | 114.4 | E173 A174 E234 H237 T847 | E173-Y176 VanDerWaalsContact O-CD1 3.24Å; E173-Y176 WeakPolarHBondContact O-CD1 3.39Å; E173-Y176 WeakPolarHBondContact O-CE1 3.43Å; A174-Y176 PolarHBondContact O-N 3.26Å; Y176-E234 VanDerWaalsContact CE1-OE2 3.27Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.39Å; Y176-E234 PolarHBondContact OH-OE2 3.03Å; Y176-H237 HydrophobicContact CD1-CB 3.72Å; Y176-H237 HydrophobicContact CD2-CB 4.19Å; Y176-H237 HydrophobicContact CE1-CB 3.87Å; Y176-H237 HydrophobicContact CE2-CB 4.33Å; Y176-H237 HydrophobicContact CG-CB 3.88Å; Y176-T847 HydrophobicContact CD2-CG2 3.48Å; Y176-T847 VanDerWaalsContact CD2-CG2 3.48Å; Y176-T847 HydrophobicContact CE2-CG2 3.7Å |
| 177 | K | 83.7 | Confident | 91.5 | Very high | 22 Ų | 22 | 9.5 Ų | 9.5 | 10% | 0.096 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -10.3 | 178.5 | 58.7 | -178.7 | 174.8 | -149.9 | 0 | 114.8 | A174 A175 A179 P872 | A174-K177 HydrophobicContact CB-CG 4.35Å; A174-K177 VanDerWaalsContact O-CG 3.28Å; A174-K177 WeakPolarHBondContact O-CG 3.38Å; A174-K177 PolarHBondContact O-N 2.65Å; A175-K177 PolarHBondContact O-N 2.87Å; K177-A179 PolarHBondContact O-N 2.99Å; K177-P872 HydrophobicContact CB-CB 3.66Å; K177-P872 HydrophobicContact CB-CG 3.78Å |
| 178 | V | 87.4 | Confident | 91 | Very high | 7 Ų | 7 | 9.8 Ų | 9.8 | 4% | 0.042 | 5% | 0.047 | C | C | . | . | trans | -84.2 | 109.7 | 179.3 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | F102 Q106 L133 V135 A174 | F102-V178 HydrophobicContact CZ-CG1 3.95Å; Q106-V178 HydrophobicContact CB-CG2 4.08Å; Q106-V178 HydrophobicContact CG-CG2 3.95Å; L133-V178 HydrophobicContact CD1-CG1 4.28Å; L133-V178 HydrophobicContact CD2-CG1 3.94Å; L133-V178 HydrophobicContact CG-CG1 4.46Å; V135-V178 HydrophobicContact CG2-CG1 4.09Å; A174-V178 HydrophobicContact CB-CG2 3.96Å; A174-V178 WeakPolarHBondContact O-CG2 3.39Å; A174-V178 PolarHBondContact O-N 2.77Å; A174-V178 VanDerWaalsContact O-N 3.15Å | ||
| 179 | A | 88.9 | Confident | 90.5 | Very high | 18 Ų | 18 | 10.1 Ų | 10.1 | 15% | 0.149 | 5% | 0.049 | C | C | . | . | trans | -70.4 | 130.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L133 K177 P195 M871 | L133-A179 VanDerWaalsContact CD2-O 3.3Å; L133-A179 WeakPolarHBondContact CD2-O 3.42Å; K177-A179 PolarHBondContact O-N 2.99Å; A179-P195 HydrophobicContact CB-CB 4.09Å; A179-P195 HydrophobicContact CB-CG 4.46Å; A179-M871 HydrophobicContact CB-CE 4.21Å | ||
| 180 | D | 93.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | B | Isolated β-bridge | trans | -132.8 | 178.4 | -174.8 | 83.5 | -17.4 | 0 | 0 | 0 | 112.1 | L133 V135 G182 P195 E196 N198 S201 | L133-D180 HydrophobicContact CD2-CB 4.48Å; L133-D180 HydrophobicContact CG-CB 3.93Å; L133-D180 WeakPolarHBondContact O-CB 3.12Å; V135-D180 HydrophobicContact CG2-CB 4.12Å; V135-D180 PolarHBondContact N-OD2 2.99Å; D180-G182 PolarHBondContact O-N 3.36Å; D180-G182 PolarHBondContact OD1-N 3Å; D180-P195 WeakPolarHBondContact O-CA 3.35Å; D180-E196 PolarHBondContact N-O 3.47Å; D180-E196 PolarHBondContact O-N 2.92Å; D180-E196 VanDerWaalsContact O-O 3.1Å; D180-N198 PolarHBondContact O-ND2 2.91Å; D180-N198 PolarHBondContact OD1-ND2 3.33Å; D180-S201 PolarHBondContact OD1-OG 3.28Å; D180-S201 VanDerWaalsContact OD2-CB 3.27Å; D180-S201 WeakPolarHBondContact OD2-CB 3.33Å; D180-S201 PolarHBondContact OD2-OG 3.05Å |
| 181 | Y | 93.5 | Very high | 89.1 | Confident | 32 Ų | 32 | 11.3 Ų | 11.3 | 13% | 0.125 | 6% | 0.056 | C | C | . | . | trans | -83 | -2.1 | 178.4 | -69.5 | -77.2 | 0 | 0 | 0 | 113.3 | T108 G131 L133 E185 R186 G187 G193 | T108-Y181 HydrophobicContact CG2-CE2 3.99Å; G131-Y181 VanDerWaalsContact C-CD2 3.48Å; G131-Y181 VanDerWaalsContact CA-CG 3.47Å; L133-Y181 HydrophobicContact CB-CD2 4.14Å; L133-Y181 HydrophobicContact CB-CE2 4.41Å; L133-Y181 PolarHBondContact O-N 2.96Å; Y181-E185 CarbonylContact O-C 3.49Å; Y181-E185 PolarHBondContact O-N 2.91Å; Y181-R186 PolarHBondContact O-N 3.23Å; Y181-G187 PolarHBondContact O-N 3.31Å; Y181-G193 WeakPolarHBondContact CE1-O 3.47Å; Y181-G193 PolarHBondContact OH-O 2.86Å; Y181-G193 VanDerWaalsContact OH-O 3.09Å | ||
| 182 | G | 91.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 15 Ų | 15 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 179.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D180 W184 E185 N198 | D180-G182 PolarHBondContact O-N 3.36Å; D180-G182 PolarHBondContact OD1-N 3Å; G182-W184 PolarHBondContact O-N 3.27Å; G182-E185 PolarHBondContact O-N 2.84Å; G182-N198 WeakPolarHBondContact CA-ND2 3.28Å; G182-N198 PolarHBondContact N-ND2 3.45Å |
| 183 | M | 91.6 | Very high | 87.8 | Confident | 7 Ų | 7 | 16.3 Ų | 16.3 | 3% | 0.034 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -14.8 | -177.5 | 67.6 | -169.9 | -66.1 | 0 | 0 | 114.9 | R45 D136 G258 W402 | R45-M183 PolarHBondContact NH1-O 2.98Å; R45-M183 PolarHBondContact NH2-O 3.48Å; D136-M183 WeakPolarHBondContact OD2-CA 3.43Å; D136-M183 WeakPolarHBondContact OD2-CB 3.41Å; M183-G258 WeakPolarHBondContact SD-CA 3.39Å; M183-W402 HydrophobicContact CE-CH2 3.59Å; M183-W402 HydrophobicContact CE-CZ2 4.17Å |
| 184 | W | 92.3 | Very high | 87.6 | Confident | 23 Ų | 23 | 20.6 Ų | 20.6 | 9% | 0.087 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 4.4 | 178.7 | -51.2 | 126.8 | 0 | 0 | 0 | 113.6 | G182 R186 D256 R295 F296 F331 W402 | G182-W184 PolarHBondContact O-N 3.27Å; W184-R186 VanDerWaalsContact O-CG 3.31Å; W184-R186 WeakPolarHBondContact O-CG 3.28Å; W184-R186 PolarHBondContact O-N 2.63Å; W184-D256 PolarHBondContact NE1-OD1 3.03Å; W184-D256 VanDerWaalsContact NE1-OD1 3.1Å; W184-D256 PolarHBondContact NE1-OD2 3.11Å; W184-R295 HydrophobicContact CD2-CG 4.46Å; W184-R295 HydrophobicContact CH2-CG 4.11Å; W184-R295 HydrophobicContact CZ2-CB 4.14Å; W184-R295 HydrophobicContact CZ2-CG 3.94Å; W184-R295 HydrophobicContact CZ3-CG 4.44Å; W184-F296 AromaticContact CD1-CD1 3.95Å; W184-F296 AromaticContact CD1-CE1 3.73Å; W184-F296 HydrophobicContact CG-CE1 4.32Å; W184-F331 HydrophobicContact CH2-CE1 4.34Å; W184-F331 AromaticContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CE1 4.29Å; W184-F331 AromaticContact CZ2-CZ 3.73Å; W184-F331 HydrophobicContact CZ2-CZ 3.73Å; W184-W402 HydrophobicContact CZ3-CZ3 4.48Å |
| 185 | E | 89.8 | Confident | 87.7 | Confident | 46 Ų | 46 | 22.1 Ų | 22.1 | 22% | 0.215 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 24.2 | 173.3 | -32.6 | -169.4 | 103.7 | 0 | 0 | 114.6 | W43 W130 Q134 Y181 G182 | W43-E185 PolarHBondContact NE1-OE1 2.94Å; W130-E185 VanDerWaalsContact CZ2-OE2 3.25Å; W130-E185 WeakPolarHBondContact CZ2-OE2 3.21Å; W130-E185 PolarHBondContact NE1-OE1 2.59Å; Q134-E185 VanDerWaalsContact NE2-CG 3.25Å; Q134-E185 PolarHBondContact NE2-OE1 2.96Å; Y181-E185 CarbonylContact O-C 3.49Å; Y181-E185 PolarHBondContact O-N 2.91Å; G182-E185 PolarHBondContact O-N 2.84Å |
| 186 | R | 85.4 | Confident | 87.6 | Confident | 23 Ų | 23 | 22.8 Ų | 22.8 | 9% | 0.087 | 12% | 0.121 | C | C | . | . | trans | -118.1 | -22.5 | -170.7 | -73.9 | 164.6 | 166.2 | -109.2 | -0.1 | 113.8 | Y181 W184 D188 N191 E306 Y313 | Y181-R186 PolarHBondContact O-N 3.23Å; W184-R186 VanDerWaalsContact O-CG 3.31Å; W184-R186 WeakPolarHBondContact O-CG 3.28Å; W184-R186 PolarHBondContact O-N 2.63Å; R186-D188 PolarHBondContact O-N 2.8Å; R186-N191 HydrophobicContact CB-CB 4.3Å; R186-N191 HydrophobicContact CG-CB 4.24Å; R186-N191 WeakPolarHBondContact CG-OD1 3.29Å; R186-N191 PolarHBondContact NH1-ND2 3.28Å; R186-E306 IonicContact NH2-OE1 3.87Å; R186-E306 PolarHBondContact NH2-OE1 3.06Å; R186-Y313 VanDerWaalsContact CZ-OH 3.27Å; R186-Y313 PolarHBondContact NH1-OH 3.32Å; R186-Y313 PolarHBondContact NH2-OH 2.89Å | ||
| 187 | G | 86.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 66 | -120.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y181 I194 K253 | Y181-G187 PolarHBondContact O-N 3.31Å; G187-I194 CarbonylContact C-O 3.55Å; G187-I194 WeakPolarHBondContact CA-O 3.45Å; G187-K253 PolarHBondContact O-NZ 3.05Å |
| 188 | D | 86.7 | Confident | 88.1 | Confident | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.032 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -62.1 | 154.4 | 177.9 | 98.8 | -52.2 | 0 | 0 | 0 | 113.3 | R186 T190 N191 Q192 I194 K1117 | R186-D188 PolarHBondContact O-N 2.8Å; D188-T190 PolarHBondContact O-N 2.9Å; D188-T190 VanDerWaalsContact O-N 3.12Å; D188-T190 PolarHBondContact OD1-OG1 2.93Å; D188-T190 WeakPolarHBondContact OD2-CB 3.26Å; D188-T190 WeakPolarHBondContact OD2-CG2 3.35Å; D188-T190 PolarHBondContact OD2-N 3.06Å; D188-T190 PolarHBondContact OD2-OG1 3.41Å; D188-N191 PolarHBondContact O-N 2.9Å; D188-N191 PolarHBondContact OD1-N 3.32Å; D188-Q192 PolarHBondContact OD1-N 3.16Å; D188-I194 HydrophobicContact CB-CB 4.37Å; D188-I194 PolarHBondContact N-O 3.46Å; D188-K1117 IonicContact OD2-NZ 2.61Å; D188-K1117 PolarHBondContact OD2-NZ 3.26Å |
| 189 | K | 87.3 | Confident | 88.4 | Confident | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.6 | -177.7 | 179.1 | 175.8 | 166.3 | 173 | 0 | 113.9 | N191 S252 K253 F296 I297 L318 E1115 | K189-N191 PolarHBondContact O-N 3.29Å; K189-S252 VanDerWaalsContact CD-O 3.22Å; K189-S252 WeakPolarHBondContact CD-O 3.49Å; K189-S252 PolarHBondContact N-OG 3.46Å; K189-K253 HydrophobicContact CB-CG 4.21Å; K189-F296 HydrophobicContact CG-CD2 4.28Å; K189-F296 HydrophobicContact CG-CE2 3.96Å; K189-I297 WeakPolarHBondContact CE-O 3.31Å; K189-I297 PolarHBondContact NZ-O 3.09Å; K189-L318 HydrophobicContact CD-CD2 4.44Å; K189-L318 HydrophobicContact CG-CD2 4Å; K189-E1115 IonicContact NZ-OE1 2.81Å; K189-E1115 PolarHBondContact NZ-OE1 2.82Å |
| 190 | T | 83 | Confident | 88.8 | Confident | 21 Ų | 21 | 22.9 Ų | 22.9 | 13% | 0.129 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.2 | 177.5 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | D188 Q192 L318 | D188-T190 PolarHBondContact O-N 2.9Å; D188-T190 VanDerWaalsContact O-N 3.12Å; D188-T190 PolarHBondContact OD1-OG1 2.93Å; D188-T190 WeakPolarHBondContact OD2-CB 3.26Å; D188-T190 WeakPolarHBondContact OD2-CG2 3.35Å; D188-T190 PolarHBondContact OD2-N 3.06Å; D188-T190 PolarHBondContact OD2-OG1 3.41Å; T190-Q192 VanDerWaalsContact C-N 3.31Å; T190-Q192 PolarHBondContact O-N 2.98Å; T190-Q192 WeakPolarHBondContact OG1-CG 3.35Å; T190-L318 HydrophobicContact CG2-CD2 4.13Å |
| 191 | N | 83.1 | Confident | 88.9 | Confident | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.043 | 12% | 0.122 | C | C | . | . | trans | 53.4 | 50 | 179.7 | -176.9 | 27.4 | 0 | 0 | 0 | 110.7 | R186 D188 K189 L311 H312 Y313 | R186-N191 HydrophobicContact CB-CB 4.3Å; R186-N191 HydrophobicContact CG-CB 4.24Å; R186-N191 WeakPolarHBondContact CG-OD1 3.29Å; R186-N191 PolarHBondContact NH1-ND2 3.28Å; D188-N191 PolarHBondContact O-N 2.9Å; D188-N191 PolarHBondContact OD1-N 3.32Å; K189-N191 PolarHBondContact O-N 3.29Å; N191-L311 PolarHBondContact ND2-O 3.31Å; N191-H312 VanDerWaalsContact O-CA 3.29Å; N191-H312 WeakPolarHBondContact O-CA 3.36Å; N191-H312 VanDerWaalsContact O-CB 3.27Å; N191-H312 WeakPolarHBondContact O-CB 3.42Å; N191-H312 VanDerWaalsContact O-CG 3.29Å; N191-H312 PolarHBondContact O-ND1 3.47Å; N191-Y313 HydrophobicContact CB-CD2 4.05Å; N191-Y313 HydrophobicContact CB-CE2 4.25Å; N191-Y313 HydrophobicContact CB-CG 4.46Å | ||
| 192 | Q | 83.3 | Confident | 89 | Confident | 82 Ų | 82 | 21.5 Ų | 21.5 | 38% | 0.383 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -102.6 | 16.1 | 178.5 | -73.8 | -69.6 | -26.2 | 0 | 0 | 112.5 | D188 T190 I194 Y313 | D188-Q192 PolarHBondContact OD1-N 3.16Å; T190-Q192 VanDerWaalsContact C-N 3.31Å; T190-Q192 PolarHBondContact O-N 2.98Å; T190-Q192 WeakPolarHBondContact OG1-CG 3.35Å; Q192-I194 VanDerWaalsContact C-N 3.3Å; Q192-I194 HydrophobicContact CB-CD1 4.12Å; Q192-I194 HydrophobicContact CB-CG1 4.28Å; Q192-Y313 PolarHBondContact NE2-O 3.25Å |
| 193 | G | 81.9 | Confident | 89.3 | Confident | 28 Ų | 28 | 21.4 Ų | 21.4 | 29% | 0.289 | 12% | 0.115 | S | C | . | . | S | Bend | trans | 75.4 | 18.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | Y181 | Y181-G193 WeakPolarHBondContact CE1-O 3.47Å; Y181-G193 PolarHBondContact OH-O 2.86Å; Y181-G193 VanDerWaalsContact OH-O 3.09Å |
| 194 | I | 87.3 | Confident | 89.6 | Confident | 90 Ų | 90 | 21.3 Ų | 21.3 | 46% | 0.462 | 12% | 0.115 | S | C | . | . | trans | -93.2 | 114.6 | -179.9 | -58.3 | 170.3 | 0 | 0 | 0 | 108.7 | G187 D188 Q192 | G187-I194 CarbonylContact C-O 3.55Å; G187-I194 WeakPolarHBondContact CA-O 3.45Å; D188-I194 HydrophobicContact CB-CB 4.37Å; D188-I194 PolarHBondContact N-O 3.46Å; Q192-I194 VanDerWaalsContact C-N 3.3Å; Q192-I194 HydrophobicContact CB-CD1 4.12Å; Q192-I194 HydrophobicContact CB-CG1 4.28Å | ||
| 195 | P | 89.4 | Confident | 89.9 | Confident | 35 Ų | 35 | 20.2 Ų | 20.2 | 23% | 0.227 | 11% | 0.111 | C | C | . | . | trans | -68.9 | 151.2 | 175.1 | 29.9 | -34.7 | 0 | 0 | 0 | 111.1 | T108 A179 D180 | T108-P195 HydrophobicContact CG2-CG 4.16Å; A179-P195 HydrophobicContact CB-CB 4.09Å; A179-P195 HydrophobicContact CB-CG 4.46Å; D180-P195 WeakPolarHBondContact O-CA 3.35Å | ||
| 196 | E | 88.4 | Confident | 90.3 | Very high | 16 Ų | 16 | 18 Ų | 18 | 8% | 0.075 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -143.2 | 166 | 174 | 66.6 | 178.7 | -176.7 | 0 | 0 | 110.6 | D180 N198 S250 S252 K253 | D180-E196 PolarHBondContact N-O 3.47Å; D180-E196 PolarHBondContact O-N 2.92Å; D180-E196 VanDerWaalsContact O-O 3.1Å; E196-N198 PolarHBondContact O-N 3.09Å; E196-N198 PolarHBondContact O-ND2 2.78Å; E196-S250 VanDerWaalsContact CD-CB 3.4Å; E196-S250 WeakPolarHBondContact OE1-CB 3.47Å; E196-S250 PolarHBondContact OE1-OG 3.28Å; E196-S250 PolarHBondContact OE2-OG 3.03Å; E196-S252 PolarHBondContact OE1-OG 3.2Å; E196-S252 WeakPolarHBondContact OE2-CB 3.27Å; E196-S252 PolarHBondContact OE2-N 2.97Å; E196-S252 PolarHBondContact OE2-OG 2.97Å; E196-K253 IonicContact OE1-NZ 2.71Å; E196-K253 PolarHBondContact OE1-NZ 3.29Å |
| 197 | L | 88.7 | Confident | 90.9 | Very high | 39 Ų | 39 | 17 Ų | 17 | 20% | 0.204 | 10% | 0.096 | C | C | . | . | trans | -74.3 | 116.7 | 175 | -164.9 | 67.8 | 0 | 0 | 0 | 109.3 | A175 V202 I241 M245 S250 | A175-L197 WeakPolarHBondContact O-CD1 3.23Å; L197-V202 HydrophobicContact CD1-CG2 3.84Å; L197-V202 HydrophobicContact CG-CG2 4.08Å; L197-I241 HydrophobicContact CD2-CG2 3.72Å; L197-M245 HydrophobicContact CD2-SD 3.97Å; L197-M245 HydrophobicContact CG-CE 4.48Å; L197-M245 HydrophobicContact CG-SD 4.18Å; L197-M245 WeakPolarHBondContact O-CE 3.4Å; L197-S250 VanDerWaalsContact O-CB 3.29Å; L197-S250 WeakPolarHBondContact O-CB 3.41Å | ||
| 198 | N | 92.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 17 Ų | 17 | 4% | 0.037 | 10% | 0.096 | C | C | . | . | trans | -106.1 | 126.1 | -178.5 | -67.5 | -78.6 | 0 | 0 | 0 | 110.8 | D180 G182 E196 S200 S201 V202 K253 | D180-N198 PolarHBondContact O-ND2 2.91Å; D180-N198 PolarHBondContact OD1-ND2 3.33Å; G182-N198 WeakPolarHBondContact CA-ND2 3.28Å; G182-N198 PolarHBondContact N-ND2 3.45Å; E196-N198 PolarHBondContact O-N 3.09Å; E196-N198 PolarHBondContact O-ND2 2.78Å; N198-S200 PolarHBondContact O-N 3.24Å; N198-S201 PolarHBondContact O-N 2.95Å; N198-V202 PolarHBondContact O-N 3.18Å; N198-V202 VanDerWaalsContact O-N 3.08Å; N198-K253 PolarHBondContact OD1-NZ 3.34Å; N198-K253 VanDerWaalsContact OD1-NZ 3.13Å | ||
| 199 | G | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.9 | -29.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G203 A249 | G199-G203 PolarHBondContact O-N 3.44Å; G199-A249 PolarHBondContact N-O 2.73Å |
| 200 | S | 95.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 6% | 0.056 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 173.4 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | N198 M204 | N198-S200 PolarHBondContact O-N 3.24Å; S200-M204 VanDerWaalsContact O-CB 3.29Å; S200-M204 WeakPolarHBondContact O-CB 3.41Å; S200-M204 PolarHBondContact O-N 2.86Å |
| 201 | S | 96.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 3% | 0.028 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.4 | -48 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | D180 N198 G203 M204 A205 | D180-S201 PolarHBondContact OD1-OG 3.28Å; D180-S201 VanDerWaalsContact OD2-CB 3.27Å; D180-S201 WeakPolarHBondContact OD2-CB 3.33Å; D180-S201 PolarHBondContact OD2-OG 3.05Å; N198-S201 PolarHBondContact O-N 2.95Å; S201-G203 PolarHBondContact O-N 3.39Å; S201-M204 PolarHBondContact O-N 2.89Å; S201-A205 WeakPolarHBondContact O-CB 3.47Å; S201-A205 PolarHBondContact O-N 3Å |
| 202 | V | 96 | Very high | 93.8 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 178.3 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | L197 N198 A205 K206 C238 I241 L242 | L197-V202 HydrophobicContact CD1-CG2 3.84Å; L197-V202 HydrophobicContact CG-CG2 4.08Å; N198-V202 PolarHBondContact O-N 3.18Å; N198-V202 VanDerWaalsContact O-N 3.08Å; V202-A205 PolarHBondContact O-N 3.38Å; V202-K206 WeakPolarHBondContact O-CB 3.46Å; V202-K206 PolarHBondContact O-N 3.19Å; V202-C238 HydrophobicContact CG1-CB 4.12Å; V202-C238 WeakPolarHBondContact CG1-O 3.36Å; V202-I241 HydrophobicContact CG1-CB 4.22Å; V202-I241 HydrophobicContact CG1-CG2 4.13Å; V202-I241 HydrophobicContact CG2-CG2 4.3Å; V202-L242 HydrophobicContact CG1-CB 4.34Å |
| 203 | G | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.6 | -38.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G199 S201 A207 A269 | G199-G203 PolarHBondContact O-N 3.44Å; S201-G203 PolarHBondContact O-N 3.39Å; G203-A207 WeakPolarHBondContact O-CB 3.4Å; G203-A207 PolarHBondContact O-N 3.28Å; G203-A207 VanDerWaalsContact O-N 3.1Å; G203-A269 WeakPolarHBondContact O-CB 3.42Å |
| 204 | M | 98.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 174.9 | -165.4 | 61.1 | 64.4 | 0 | 0 | 111.8 | I140 L143 S200 S201 A207 A208 P266 A267 | I140-M204 HydrophobicContact CB-CG 4Å; I140-M204 HydrophobicContact CB-SD 3.97Å; I140-M204 HydrophobicContact CD1-CE 4.04Å; I140-M204 HydrophobicContact CD1-SD 3.58Å; I140-M204 VanDerWaalsContact CD1-SD 3.58Å; I140-M204 HydrophobicContact CG1-SD 4.3Å; L143-M204 HydrophobicContact CD2-SD 3.63Å; S200-M204 VanDerWaalsContact O-CB 3.29Å; S200-M204 WeakPolarHBondContact O-CB 3.41Å; S200-M204 PolarHBondContact O-N 2.86Å; S201-M204 PolarHBondContact O-N 2.89Å; M204-A207 PolarHBondContact O-N 3.32Å; M204-A208 WeakPolarHBondContact O-CB 3.36Å; M204-A208 PolarHBondContact O-N 2.99Å; M204-P266 HydrophobicContact CE-CG 4.17Å; M204-A267 HydrophobicContact CE-CB 4.16Å; M204-A267 HydrophobicContact SD-CB 4.11Å |
| 205 | A | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.4 | -48.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | V135 S139 I172 A175 S201 V202 A207 A208 L209 | V135-A205 HydrophobicContact CG1-CB 4.19Å; S139-A205 VanDerWaalsContact OG-CA 3.26Å; S139-A205 WeakPolarHBondContact OG-CA 3.4Å; S139-A205 WeakPolarHBondContact OG-CB 3.48Å; I172-A205 HydrophobicContact CB-CB 4.45Å; A175-A205 HydrophobicContact CB-CB 3.36Å; S201-A205 WeakPolarHBondContact O-CB 3.47Å; S201-A205 PolarHBondContact O-N 3Å; V202-A205 PolarHBondContact O-N 3.38Å; A205-A207 VanDerWaalsContact C-N 3.28Å; A205-A207 PolarHBondContact O-N 3.38Å; A205-A208 WeakPolarHBondContact O-CB 3.16Å; A205-A208 PolarHBondContact O-N 3.49Å; A205-A208 VanDerWaalsContact O-N 3.14Å; A205-L209 WeakPolarHBondContact O-CB 3.44Å; A205-L209 VanDerWaalsContact O-CG 3.24Å; A205-L209 WeakPolarHBondContact O-CG 3.41Å; A205-L209 PolarHBondContact O-N 3.02Å |
| 206 | K | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -51.2 | -50.3 | 173.4 | -177.4 | -177.1 | -179 | -98.8 | 0 | 111.3 | V202 A208 L209 E210 V235 C238 Q239 L242 A269 | V202-K206 WeakPolarHBondContact O-CB 3.46Å; V202-K206 PolarHBondContact O-N 3.19Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 3.21Å; K206-L209 PolarHBondContact O-N 3.12Å; K206-E210 WeakPolarHBondContact CE-OE1 3.35Å; K206-E210 IonicContact NZ-OE1 3.55Å; K206-E210 PolarHBondContact NZ-OE1 2.99Å; K206-E210 IonicContact NZ-OE2 2.85Å; K206-E210 WeakPolarHBondContact O-CG 3.47Å; K206-E210 PolarHBondContact O-N 2.86Å; K206-V235 HydrophobicContact CG-CG1 4.19Å; K206-C238 HydrophobicContact CB-CB 3.83Å; K206-C238 HydrophobicContact CG-CB 4.26Å; K206-Q239 HydrophobicContact CD-CB 4.08Å; K206-Q239 VanDerWaalsContact NZ-OE1 3.13Å; K206-L242 HydrophobicContact CD-CD2 4.47Å; K206-A269 HydrophobicContact CD-CB 4.46Å; K206-A269 PolarHBondContact NZ-O 3.27Å |
| 207 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.8 | -39.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L143 G203 M204 A205 A211 A267 A269 R428 | L143-A207 HydrophobicContact CD1-CB 4.31Å; L143-A207 HydrophobicContact CD2-CB 4.04Å; G203-A207 WeakPolarHBondContact O-CB 3.4Å; G203-A207 PolarHBondContact O-N 3.28Å; G203-A207 VanDerWaalsContact O-N 3.1Å; M204-A207 PolarHBondContact O-N 3.32Å; A205-A207 VanDerWaalsContact C-N 3.28Å; A205-A207 PolarHBondContact O-N 3.38Å; A207-A211 WeakPolarHBondContact O-CB 3.13Å; A207-A211 PolarHBondContact O-N 3.24Å; A207-A267 HydrophobicContact CB-CB 3.66Å; A207-A267 WeakPolarHBondContact CB-O 3.46Å; A207-A269 HydrophobicContact CB-CB 4.28Å; A207-R428 VanDerWaalsContact CA-NH2 3.27Å; A207-R428 VanDerWaalsContact CB-NH2 3.29Å; A207-R428 PolarHBondContact O-NH1 3.29Å |
| 208 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S139 L142 L143 I172 M204 A205 K206 A211 I212 | S139-A208 VanDerWaalsContact O-CB 3.23Å; S139-A208 WeakPolarHBondContact O-CB 3.34Å; L142-A208 HydrophobicContact CB-CB 4.04Å; L143-A208 HydrophobicContact CB-CB 4.04Å; I172-A208 HydrophobicContact CD1-CB 3.76Å; M204-A208 WeakPolarHBondContact O-CB 3.36Å; M204-A208 PolarHBondContact O-N 2.99Å; A205-A208 WeakPolarHBondContact O-CB 3.16Å; A205-A208 PolarHBondContact O-N 3.49Å; A205-A208 VanDerWaalsContact O-N 3.14Å; K206-A208 VanDerWaalsContact C-N 3.33Å; K206-A208 PolarHBondContact O-N 3.21Å; A208-A211 PolarHBondContact O-N 3.02Å; A208-I212 WeakPolarHBondContact O-CB 3.14Å; A208-I212 VanDerWaalsContact O-CG2 3.31Å; A208-I212 WeakPolarHBondContact O-CG2 3.29Å; A208-I212 PolarHBondContact O-N 3.06Å |
| 209 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 177.6 | -70.7 | 172.4 | 0 | 0 | 0 | 111.3 | V169 I172 E173 A205 K206 A211 D213 V230 V235 | V169-L209 HydrophobicContact CG1-CD2 3.81Å; I172-L209 HydrophobicContact CD1-CD2 3.87Å; I172-L209 HydrophobicContact CD1-CG 3.91Å; I172-L209 HydrophobicContact CG1-CD2 3.88Å; I172-L209 HydrophobicContact CG1-CG 4.29Å; E173-L209 HydrophobicContact CB-CD2 4.28Å; A205-L209 WeakPolarHBondContact O-CB 3.44Å; A205-L209 VanDerWaalsContact O-CG 3.24Å; A205-L209 WeakPolarHBondContact O-CG 3.41Å; A205-L209 PolarHBondContact O-N 3.02Å; K206-L209 PolarHBondContact O-N 3.12Å; L209-A211 VanDerWaalsContact C-N 3.32Å; L209-A211 PolarHBondContact O-N 3.07Å; L209-D213 PolarHBondContact O-N 3.29Å; L209-V230 HydrophobicContact CB-CG1 4.04Å; L209-V230 HydrophobicContact CD2-CG1 3.91Å; L209-V230 HydrophobicContact CD2-CG2 4.5Å; L209-V230 HydrophobicContact CG-CG1 4.48Å; L209-V235 HydrophobicContact CB-CG2 3.84Å; L209-V235 HydrophobicContact CD1-CG2 4.41Å |
| 210 | E | 96.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 21.3 Ų | 21.3 | 27% | 0.271 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -64.7 | -33.5 | 176.3 | -73.9 | 173.9 | 164.5 | 0 | 0 | 113.4 | K206 V235 R428 | K206-E210 WeakPolarHBondContact CE-OE1 3.35Å; K206-E210 IonicContact NZ-OE1 3.55Å; K206-E210 PolarHBondContact NZ-OE1 2.99Å; K206-E210 IonicContact NZ-OE2 2.85Å; K206-E210 WeakPolarHBondContact O-CG 3.47Å; K206-E210 PolarHBondContact O-N 2.86Å; E210-V235 HydrophobicContact CG-CG1 3.52Å; E210-R428 IonicContact OE2-CZ 2.74Å; E210-R428 VanDerWaalsContact OE2-CZ 3.27Å; E210-R428 IonicContact OE2-NH1 3.66Å; E210-R428 PolarHBondContact OE2-NH1 3.37Å; E210-R428 IonicContact OE2-NH2 3.93Å; E210-R428 PolarHBondContact OE2-NH2 2.73Å |
| 211 | A | 97.2 | Very high | 95.1 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 5% | 0.05 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -76.3 | -33.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | L143 A146 A207 A208 L209 L426 | L143-A211 HydrophobicContact CD1-CB 3.48Å; L143-A211 VanDerWaalsContact CD1-CB 3.48Å; A146-A211 HydrophobicContact CB-CB 3.89Å; A207-A211 WeakPolarHBondContact O-CB 3.13Å; A207-A211 PolarHBondContact O-N 3.24Å; A208-A211 PolarHBondContact O-N 3.02Å; L209-A211 VanDerWaalsContact C-N 3.32Å; L209-A211 PolarHBondContact O-N 3.07Å; A211-L426 HydrophobicContact CB-CD1 3.89Å; A211-L426 WeakPolarHBondContact O-CD1 3.5Å |
| 212 | I | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -91.7 | -15.3 | -175.6 | -154.1 | 169.8 | 0 | 0 | 0 | 112.9 | L142 A146 I165 V169 A208 E214 L215 L217 I228 V230 | L142-I212 HydrophobicContact CD2-CD1 3.95Å; A146-I212 HydrophobicContact CB-CB 4.41Å; I165-I212 HydrophobicContact CG2-CD1 3.56Å; V169-I212 HydrophobicContact CG2-CD1 4.43Å; V169-I212 HydrophobicContact CG2-CG2 3.87Å; A208-I212 WeakPolarHBondContact O-CB 3.14Å; A208-I212 VanDerWaalsContact O-CG2 3.31Å; A208-I212 WeakPolarHBondContact O-CG2 3.29Å; A208-I212 PolarHBondContact O-N 3.06Å; I212-E214 PolarHBondContact O-N 3.32Å; I212-L215 HydrophobicContact CG1-CD2 4.5Å; I212-L215 VanDerWaalsContact O-CB 3.27Å; I212-L215 WeakPolarHBondContact O-CB 2.97Å; I212-L215 PolarHBondContact O-N 2.95Å; I212-L217 HydrophobicContact CD1-CD2 4.47Å; I212-I228 HydrophobicContact CD1-CG1 4.37Å; I212-I228 HydrophobicContact CD1-CG2 4.32Å; I212-I228 HydrophobicContact CG1-CB 4.15Å; I212-I228 HydrophobicContact CG1-CG1 4.23Å; I212-I228 HydrophobicContact CG1-CG2 4.01Å; I212-I228 HydrophobicContact CG2-CG2 4.01Å; I212-V230 HydrophobicContact CG2-CG2 3.9Å |
| 213 | D | 95.1 | Very high | 94.1 | Very high | 49 Ų | 49 | 30.8 Ų | 30.8 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 131.8 | 178.2 | -168.7 | 38.2 | 0 | 0 | 0 | 111.9 | L209 L215 V230 | L209-D213 PolarHBondContact O-N 3.29Å; D213-L215 PolarHBondContact O-N 3.21Å; D213-V230 HydrophobicContact CB-CB 3.88Å; D213-V230 HydrophobicContact CB-CG2 3.89Å; D213-V230 WeakPolarHBondContact OD1-CB 3.33Å; D213-V230 PolarHBondContact OD1-N 2.96Å |
| 214 | E | 92.1 | Very high | 93.5 | Very high | 86 Ų | 86 | 34.1 Ų | 34.1 | 40% | 0.402 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 19.2 | -176.9 | -58.4 | -68.9 | 144 | 0 | 0 | 114 | I212 I228 H229 T614 | I212-E214 PolarHBondContact O-N 3.32Å; E214-I228 WeakPolarHBondContact CA-O 3.43Å; E214-I228 PolarHBondContact N-O 3.27Å; E214-H229 IonicContact OE1-CE1 3.21Å; E214-H229 IonicContact OE1-ND1 3.63Å; E214-H229 PolarHBondContact OE1-ND1 3.14Å; E214-T614 PolarHBondContact OE1-OG1 2.83Å |
| 215 | L | 94.7 | Very high | 93 | Very high | 25 Ų | 25 | 38.9 Ų | 38.9 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | trans | -85.5 | 129.7 | 176 | -175.1 | 73.3 | 0 | 0 | 0 | 111 | A146 I212 D213 L217 V227 I228 | A146-L215 VanDerWaalsContact CA-CD2 3.46Å; A146-L215 HydrophobicContact CB-CD2 3.66Å; I212-L215 HydrophobicContact CG1-CD2 4.5Å; I212-L215 VanDerWaalsContact O-CB 3.27Å; I212-L215 WeakPolarHBondContact O-CB 2.97Å; I212-L215 PolarHBondContact O-N 2.95Å; D213-L215 PolarHBondContact O-N 3.21Å; L215-L217 HydrophobicContact CD2-CD2 4.33Å; L215-L217 PolarHBondContact O-N 3.22Å; L215-V227 WeakPolarHBondContact O-CA 3.43Å; L215-I228 PolarHBondContact O-N 2.84Å; L215-I228 VanDerWaalsContact O-N 3.09Å | ||
| 216 | D | 95.2 | Very high | 92.7 | Very high | 32 Ų | 32 | 39 Ų | 39 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -80.1 | 113.2 | 168.2 | -167.9 | -28.9 | 0 | 0 | 0 | 111.1 | F218 G219 G222 G223 S226 V227 | D216-F218 PolarHBondContact O-N 3.26Å; D216-F218 PolarHBondContact OD1-N 3.25Å; D216-G219 PolarHBondContact O-N 3.32Å; D216-G222 WeakPolarHBondContact OD1-CA 3.42Å; D216-G222 WeakPolarHBondContact OD2-CA 3.29Å; D216-G223 PolarHBondContact OD2-N 3.3Å; D216-S226 VanDerWaalsContact CG-OG 3.29Å; D216-S226 VanDerWaalsContact OD1-CB 3.3Å; D216-S226 WeakPolarHBondContact OD1-CB 3.45Å; D216-S226 PolarHBondContact OD1-OG 3.5Å; D216-S226 PolarHBondContact OD2-OG 3.45Å; D216-V227 HydrophobicContact CB-CG2 4.32Å |
| 217 | L | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.4 | -177.2 | -67.8 | -179.5 | 0 | 0 | 0 | 114.6 | L145 I156 V162 I165 I212 L215 G219 S226 I228 | L145-L217 HydrophobicContact CD2-CD2 4.3Å; I156-L217 HydrophobicContact CB-CB 4.11Å; I156-L217 HydrophobicContact CG1-CB 4.1Å; I156-L217 HydrophobicContact CG1-CD1 4.25Å; I156-L217 HydrophobicContact CG1-CD2 4.45Å; I156-L217 HydrophobicContact CG2-CB 4.33Å; V162-L217 HydrophobicContact CB-CD1 4.37Å; V162-L217 HydrophobicContact CG1-CD1 4.26Å; V162-L217 HydrophobicContact CG2-CB 4.34Å; V162-L217 HydrophobicContact CG2-CD1 4.16Å; I165-L217 HydrophobicContact CB-CD1 3.81Å; I165-L217 HydrophobicContact CG1-CD1 4.06Å; I165-L217 HydrophobicContact CG2-CD1 3.73Å; I212-L217 HydrophobicContact CD1-CD2 4.47Å; L215-L217 HydrophobicContact CD2-CD2 4.33Å; L215-L217 PolarHBondContact O-N 3.22Å; L217-G219 VanDerWaalsContact C-N 3.33Å; L217-S226 PolarHBondContact N-O 3.22Å; L217-I228 HydrophobicContact CD1-CD1 3.66Å; L217-I228 HydrophobicContact CD1-CG1 3.55Å; L217-I228 HydrophobicContact CD2-CG1 4.24Å; L217-I228 HydrophobicContact CG-CD1 4.39Å; L217-I228 HydrophobicContact CG-CG1 3.76Å |
| 218 | F | 95.3 | Very high | 92.4 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 20% | 0.202 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 4.8 | 171 | -61.3 | -27.6 | 0 | 0 | 0 | 112.6 | I156 L159 V162 D216 S226 | I156-F218 HydrophobicContact CG2-CE1 4.01Å; I156-F218 WeakPolarHBondContact O-CD1 3.36Å; L159-F218 HydrophobicContact CD2-CE2 4Å; L159-F218 HydrophobicContact CD2-CZ 4.2Å; V162-F218 HydrophobicContact CG2-CE1 4.15Å; V162-F218 HydrophobicContact CG2-CZ 4.06Å; D216-F218 PolarHBondContact O-N 3.26Å; D216-F218 PolarHBondContact OD1-N 3.25Å; F218-S226 VanDerWaalsContact CD2-CB 3.46Å; F218-S226 WeakPolarHBondContact CD2-OG 3.32Å |
| 219 | G | 90.6 | Very high | 92.2 | Very high | 23 Ų | 23 | 40.7 Ų | 40.7 | 24% | 0.237 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | 63.2 | -140.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D216 L217 H221 G222 | D216-G219 PolarHBondContact O-N 3.32Å; L217-G219 VanDerWaalsContact C-N 3.33Å; G219-H221 PolarHBondContact O-N 3.22Å; G219-G222 PolarHBondContact O-N 2.94Å; G219-G222 VanDerWaalsContact O-N 3.14Å |
| 220 | A | 85.9 | Confident | 92.1 | Very high | 105 Ų | 105 | 40.9 Ų | 40.9 | 87% | 0.868 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -63.4 | -9.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 221 | H | 83.8 | Confident | 91.9 | Very high | 154 Ų | 154 | 38.5 Ų | 38.5 | 71% | 0.713 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -107.5 | 2.7 | -178.4 | -62.2 | -59.3 | 0 | 0 | 0 | 113.4 | Q154 G219 | Q154-H221 PolarHBondContact NE2-CD2 3.23Å; G219-H221 PolarHBondContact O-N 3.22Å |
| 222 | G | 84.1 | Confident | 91.7 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | trans | -82.7 | -175.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D216 G219 | D216-G222 WeakPolarHBondContact OD1-CA 3.42Å; D216-G222 WeakPolarHBondContact OD2-CA 3.29Å; G219-G222 PolarHBondContact O-N 2.94Å; G219-G222 VanDerWaalsContact O-N 3.14Å | ||
| 223 | G | 85.9 | Confident | 91.4 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | trans | -144.3 | -178.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D216 K225 S226 | D216-G223 PolarHBondContact OD2-N 3.3Å; G223-K225 PolarHBondContact O-N 3.34Å; G223-S226 PolarHBondContact N-OG 2.98Å; G223-S226 VanDerWaalsContact N-OG 3.17Å; G223-S226 PolarHBondContact O-N 2.67Å; G223-S226 PolarHBondContact O-OG 3.24Å | ||
| 224 | P | 85.8 | Confident | 91.1 | Very high | 70 Ų | 70 | 37.8 Ų | 37.8 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -58.9 | -22.2 | -172.3 | -24.6 | 33.3 | 0 | 0 | 0 | 115.1 | S226 T617 | P224-S226 VanDerWaalsContact C-N 3.34Å; P224-T617 HydrophobicContact CB-CG2 3.51Å; P224-T617 WeakPolarHBondContact CB-OG1 3.4Å; P224-T617 HydrophobicContact CG-CG2 4.31Å; P224-T617 PolarHBondContact O-OG1 3.27Å; P224-T617 VanDerWaalsContact O-OG1 3.06Å |
| 225 | K | 86.9 | Confident | 91.2 | Very high | 106 Ų | 106 | 34.6 Ų | 34.6 | 46% | 0.461 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -76.8 | -15 | 177.1 | -64.4 | -173.4 | 179.7 | -177.4 | 0 | 114.1 | L159 G223 E622 | L159-K225 HydrophobicContact CD1-CB 4.49Å; L159-K225 HydrophobicContact CD1-CD 4.42Å; L159-K225 HydrophobicContact CD2-CB 3.97Å; G223-K225 PolarHBondContact O-N 3.34Å; K225-E622 IonicContact NZ-OE2 2.65Å; K225-E622 PolarHBondContact NZ-OE2 2.98Å |
| 226 | S | 92.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -101.5 | 5.1 | 177.6 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | D216 L217 F218 G223 P224 | D216-S226 VanDerWaalsContact CG-OG 3.29Å; D216-S226 VanDerWaalsContact OD1-CB 3.3Å; D216-S226 WeakPolarHBondContact OD1-CB 3.45Å; D216-S226 PolarHBondContact OD1-OG 3.5Å; D216-S226 PolarHBondContact OD2-OG 3.45Å; L217-S226 PolarHBondContact N-O 3.22Å; F218-S226 VanDerWaalsContact CD2-CB 3.46Å; F218-S226 WeakPolarHBondContact CD2-OG 3.32Å; G223-S226 PolarHBondContact N-OG 2.98Å; G223-S226 VanDerWaalsContact N-OG 3.17Å; G223-S226 PolarHBondContact O-N 2.67Å; G223-S226 PolarHBondContact O-OG 3.24Å; P224-S226 VanDerWaalsContact C-N 3.34Å |
| 227 | V | 93.9 | Very high | 90.5 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 16% | 0.164 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -80.6 | 133.2 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 110 | L215 D216 | L215-V227 WeakPolarHBondContact O-CA 3.43Å; D216-V227 HydrophobicContact CB-CG2 4.32Å |
| 228 | I | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -91.7 | 138.2 | 173 | -63.3 | -61.9 | 0 | 0 | 0 | 109.6 | V162 I165 Q166 V169 I212 E214 L215 L217 V230 | V162-I228 HydrophobicContact CG1-CD1 4.07Å; I165-I228 HydrophobicContact CB-CD1 4.36Å; I165-I228 HydrophobicContact CG2-CD1 4.03Å; I165-I228 HydrophobicContact CG2-CG1 4.23Å; Q166-I228 HydrophobicContact CB-CD1 3.86Å; V169-I228 HydrophobicContact CG2-CG2 3.8Å; I212-I228 HydrophobicContact CD1-CG1 4.37Å; I212-I228 HydrophobicContact CD1-CG2 4.32Å; I212-I228 HydrophobicContact CG1-CB 4.15Å; I212-I228 HydrophobicContact CG1-CG1 4.23Å; I212-I228 HydrophobicContact CG1-CG2 4.01Å; I212-I228 HydrophobicContact CG2-CG2 4.01Å; E214-I228 WeakPolarHBondContact CA-O 3.43Å; E214-I228 PolarHBondContact N-O 3.27Å; L215-I228 PolarHBondContact O-N 2.84Å; L215-I228 VanDerWaalsContact O-N 3.09Å; L217-I228 HydrophobicContact CD1-CD1 3.66Å; L217-I228 HydrophobicContact CD1-CG1 3.55Å; L217-I228 HydrophobicContact CD2-CG1 4.24Å; L217-I228 HydrophobicContact CG-CD1 4.39Å; L217-I228 HydrophobicContact CG-CG1 3.76Å; I228-V230 HydrophobicContact CG2-CG2 4.48Å | ||
| 229 | H | 94.4 | Very high | 90.1 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | trans | -116 | 134 | 177.5 | -59.7 | -75.6 | 0 | 0 | 0 | 110.8 | Q166 E214 L486 R615 | Q166-H229 PolarHBondContact NE2-O 3.37Å; E214-H229 IonicContact OE1-CE1 3.21Å; E214-H229 IonicContact OE1-ND1 3.63Å; E214-H229 PolarHBondContact OE1-ND1 3.14Å; H229-L486 HydrophobicContact CB-CD2 3.95Å; H229-R615 PolarHBondContact CE1-O 3.38Å | ||
| 230 | V | 95.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | trans | -121.7 | 141.5 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | V169 L209 I212 D213 I228 V235 | V169-V230 HydrophobicContact CG1-CG2 3.86Å; L209-V230 HydrophobicContact CB-CG1 4.04Å; L209-V230 HydrophobicContact CD2-CG1 3.91Å; L209-V230 HydrophobicContact CD2-CG2 4.5Å; L209-V230 HydrophobicContact CG-CG1 4.48Å; I212-V230 HydrophobicContact CG2-CG2 3.9Å; D213-V230 HydrophobicContact CB-CB 3.88Å; D213-V230 HydrophobicContact CB-CG2 3.89Å; D213-V230 WeakPolarHBondContact OD1-CB 3.33Å; D213-V230 PolarHBondContact OD1-N 2.96Å; I228-V230 HydrophobicContact CG2-CG2 4.48Å; V230-V235 HydrophobicContact CG1-CG2 3.88Å | ||
| 231 | L | 92.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 28.1 Ų | 28.1 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | trans | -81.9 | 129.1 | 173.9 | -72.1 | 171.7 | 0 | 0 | 0 | 110.3 | D233 E234 Y483 I502 | L231-D233 PolarHBondContact O-N 2.82Å; L231-E234 HydrophobicContact CB-CG 4.16Å; L231-E234 PolarHBondContact O-N 3.24Å; L231-Y483 HydrophobicContact CD2-CD1 4.34Å; L231-Y483 HydrophobicContact CD2-CD2 4.49Å; L231-Y483 HydrophobicContact CD2-CE1 3.89Å; L231-Y483 HydrophobicContact CD2-CE2 4.03Å; L231-Y483 HydrophobicContact CG-CE1 4.41Å; L231-I502 HydrophobicContact CD1-CG1 4.13Å; L231-I502 HydrophobicContact CD2-CD1 4.45Å; L231-I502 HydrophobicContact CD2-CG1 4.49Å; L231-I502 HydrophobicContact CD2-CG2 4.39Å | ||
| 232 | P | 92.6 | Very high | 90 | Very high | 19 Ų | 19 | 20.8 Ų | 20.8 | 12% | 0.123 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.7 | -27.9 | -177.8 | 25.9 | -34.7 | 0 | 0 | 0 | 112.7 | E234 V235 E236 L505 M556 | P232-E234 VanDerWaalsContact C-N 3.34Å; P232-E234 PolarHBondContact O-N 3.11Å; P232-V235 PolarHBondContact O-N 2.99Å; P232-E236 PolarHBondContact O-N 3.05Å; P232-L505 HydrophobicContact CB-CB 3.99Å; P232-L505 HydrophobicContact CB-CD1 4.49Å; P232-L505 HydrophobicContact CG-CB 3.75Å; P232-M556 HydrophobicContact CB-SD 4.27Å; P232-M556 HydrophobicContact CG-SD 4.24Å |
| 233 | D | 90.4 | Very high | 90.2 | Very high | 11 Ų | 11 | 21.5 Ų | 21.5 | 6% | 0.059 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 177.5 | -54.6 | -82.1 | 0 | 0 | 0 | 111.9 | L231 E236 H237 G503 V504 L505 G506 | L231-D233 PolarHBondContact O-N 2.82Å; D233-E236 PolarHBondContact O-N 3.42Å; D233-H237 PolarHBondContact O-CD2 3.1Å; D233-H237 PolarHBondContact O-N 2.9Å; D233-G503 VanDerWaalsContact CG-CA 3.49Å; D233-G503 WeakPolarHBondContact OD1-CA 3.44Å; D233-G503 PolarHBondContact OD2-N 2.64Å; D233-V504 PolarHBondContact OD1-N 3.34Å; D233-L505 VanDerWaalsContact OD1-CB 3.31Å; D233-L505 WeakPolarHBondContact OD1-CB 3.47Å; D233-L505 PolarHBondContact OD1-N 3.45Å; D233-G506 WeakPolarHBondContact OD2-CA 3.29Å; D233-G506 PolarHBondContact OD2-N 2.87Å |
| 234 | E | 89.7 | Confident | 90 | Very high | 11 Ų | 11 | 21.2 Ų | 21.2 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70 | -35.2 | 179.6 | -53.9 | -69.3 | 174.6 | 0 | 0 | 112 | E173 Y176 L231 P232 C238 R497 | E173-E234 HydrophobicContact CB-CB 4.09Å; E173-E234 HydrophobicContact CB-CG 4.24Å; E173-E234 HydrophobicContact CG-CG 4.48Å; Y176-E234 VanDerWaalsContact CE1-OE2 3.27Å; Y176-E234 WeakPolarHBondContact CE1-OE2 3.39Å; Y176-E234 PolarHBondContact OH-OE2 3.03Å; L231-E234 HydrophobicContact CB-CG 4.16Å; L231-E234 PolarHBondContact O-N 3.24Å; P232-E234 VanDerWaalsContact C-N 3.34Å; P232-E234 PolarHBondContact O-N 3.11Å; E234-C238 PolarHBondContact O-N 3.37Å; E234-C238 PolarHBondContact O-SG 2.93Å; E234-C238 VanDerWaalsContact O-SG 3.36Å; E234-R497 IonicContact OE1-NH2 3.92Å; E234-R497 PolarHBondContact OE1-NH2 3.44Å |
| 235 | V | 93.6 | Very high | 90 | Very high | 18 Ų | 18 | 18.4 Ų | 18.4 | 11% | 0.109 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 173.4 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | K206 L209 E210 V230 P232 C238 Q239 | K206-V235 HydrophobicContact CG-CG1 4.19Å; L209-V235 HydrophobicContact CB-CG2 3.84Å; L209-V235 HydrophobicContact CD1-CG2 4.41Å; E210-V235 HydrophobicContact CG-CG1 3.52Å; V230-V235 HydrophobicContact CG1-CG2 3.88Å; P232-V235 PolarHBondContact O-N 2.99Å; V235-C238 WeakPolarHBondContact O-CB 3.4Å; V235-C238 PolarHBondContact O-N 2.77Å; V235-Q239 PolarHBondContact O-N 3.07Å |
| 236 | E | 89.7 | Confident | 90.2 | Very high | 23 Ų | 23 | 13.8 Ų | 13.8 | 11% | 0.107 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.6 | -30.4 | -178.1 | -166.8 | 59.5 | -166.8 | 0 | 0 | 112.4 | P232 D233 Q239 A240 L505 Y549 C553 | P232-E236 PolarHBondContact O-N 3.05Å; D233-E236 PolarHBondContact O-N 3.42Å; E236-Q239 WeakPolarHBondContact O-CB 3.34Å; E236-Q239 PolarHBondContact O-N 3.03Å; E236-A240 WeakPolarHBondContact O-CB 3.37Å; E236-A240 PolarHBondContact O-N 3.4Å; E236-L505 HydrophobicContact CB-CD1 3.78Å; E236-L505 HydrophobicContact CG-CD1 4.16Å; E236-Y549 HydrophobicContact CG-CE2 4.17Å; E236-Y549 WeakPolarHBondContact CG-OH 3.37Å; E236-C553 HydrophobicContact CG-CB 3.84Å; E236-C553 PolarHBondContact OE1-SG 3.05Å |
| 237 | H | 86.4 | Confident | 90.3 | Very high | 24 Ų | 24 | 15.2 Ų | 15.2 | 11% | 0.111 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 167.2 | -73.8 | -54.1 | 0 | 0 | 0 | 111.4 | Y176 D233 Q239 A240 I241 | Y176-H237 HydrophobicContact CD1-CB 3.72Å; Y176-H237 HydrophobicContact CD2-CB 4.19Å; Y176-H237 HydrophobicContact CE1-CB 3.87Å; Y176-H237 HydrophobicContact CE2-CB 4.33Å; Y176-H237 HydrophobicContact CG-CB 3.88Å; D233-H237 PolarHBondContact O-CD2 3.1Å; D233-H237 PolarHBondContact O-N 2.9Å; H237-Q239 VanDerWaalsContact C-N 3.3Å; H237-Q239 PolarHBondContact O-N 2.96Å; H237-A240 PolarHBondContact O-N 2.82Å; H237-I241 WeakPolarHBondContact O-CG1 3.44Å; H237-I241 PolarHBondContact O-N 3.31Å; H237-I241 VanDerWaalsContact O-N 3.09Å |
| 238 | C | 91 | Very high | 90.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.8 | -39.2 | 175.1 | -63 | 0 | 0 | 0 | 0 | 112.1 | V202 K206 E234 V235 L242 | V202-C238 HydrophobicContact CG1-CB 4.12Å; V202-C238 WeakPolarHBondContact CG1-O 3.36Å; K206-C238 HydrophobicContact CB-CB 3.83Å; K206-C238 HydrophobicContact CG-CB 4.26Å; E234-C238 PolarHBondContact O-N 3.37Å; E234-C238 PolarHBondContact O-SG 2.93Å; E234-C238 VanDerWaalsContact O-SG 3.36Å; V235-C238 WeakPolarHBondContact O-CB 3.4Å; V235-C238 PolarHBondContact O-N 2.77Å; C238-L242 VanDerWaalsContact O-CB 3.22Å; C238-L242 WeakPolarHBondContact O-CB 3.43Å; C238-L242 PolarHBondContact O-N 3.44Å |
| 239 | Q | 90.8 | Very high | 89.9 | Confident | 14 Ų | 14 | 17.6 Ų | 17.6 | 7% | 0.065 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 175.2 | -180 | 53.9 | 14 | 0 | 0 | 112 | K206 V235 E236 H237 L242 C243 A269 | K206-Q239 HydrophobicContact CD-CB 4.08Å; K206-Q239 VanDerWaalsContact NZ-OE1 3.13Å; V235-Q239 PolarHBondContact O-N 3.07Å; E236-Q239 WeakPolarHBondContact O-CB 3.34Å; E236-Q239 PolarHBondContact O-N 3.03Å; H237-Q239 VanDerWaalsContact C-N 3.3Å; H237-Q239 PolarHBondContact O-N 2.96Å; Q239-L242 PolarHBondContact O-N 3.41Å; Q239-C243 PolarHBondContact NE2-SG 3.46Å; Q239-C243 WeakPolarHBondContact O-CB 3.46Å; Q239-C243 PolarHBondContact O-N 2.83Å; Q239-A269 PolarHBondContact OE1-O 3.15Å |
| 240 | A | 84.5 | Confident | 89.7 | Confident | 31 Ų | 31 | 17.6 Ų | 17.6 | 26% | 0.256 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -61.1 | -46.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E236 H237 S244 | E236-A240 WeakPolarHBondContact O-CB 3.37Å; E236-A240 PolarHBondContact O-N 3.4Å; H237-A240 PolarHBondContact O-N 2.82Å; A240-S244 WeakPolarHBondContact O-CB 3.21Å; A240-S244 PolarHBondContact O-N 3.39Å; A240-S244 PolarHBondContact O-OG 2.91Å |
| 241 | I | 84.6 | Confident | 89.2 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 173.3 | -61.2 | -44.5 | 0 | 0 | 0 | 110.9 | L197 V202 H237 C243 S244 M245 T847 | L197-I241 HydrophobicContact CD2-CG2 3.72Å; V202-I241 HydrophobicContact CG1-CB 4.22Å; V202-I241 HydrophobicContact CG1-CG2 4.13Å; V202-I241 HydrophobicContact CG2-CG2 4.3Å; H237-I241 WeakPolarHBondContact O-CG1 3.44Å; H237-I241 PolarHBondContact O-N 3.31Å; H237-I241 VanDerWaalsContact O-N 3.09Å; I241-C243 PolarHBondContact O-N 2.87Å; I241-S244 PolarHBondContact O-N 3.5Å; I241-S244 PolarHBondContact O-OG 3.46Å; I241-M245 HydrophobicContact CG2-CG 4.05Å; I241-M245 HydrophobicContact CG2-SD 3.46Å; I241-M245 WeakPolarHBondContact CG2-SD 3.35Å; I241-M245 WeakPolarHBondContact O-CB 3.48Å; I241-M245 VanDerWaalsContact O-CG 3.23Å; I241-M245 WeakPolarHBondContact O-CG 3.31Å; I241-M245 PolarHBondContact O-N 3.1Å; I241-T847 HydrophobicContact CD1-CG2 4Å |
| 242 | L | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | -174.8 | -176.9 | 64.9 | 0 | 0 | 0 | 111.1 | V202 K206 C238 Q239 S244 M245 L246 V262 A269 V270 | V202-L242 HydrophobicContact CG1-CB 4.34Å; K206-L242 HydrophobicContact CD-CD2 4.47Å; C238-L242 VanDerWaalsContact O-CB 3.22Å; C238-L242 WeakPolarHBondContact O-CB 3.43Å; C238-L242 PolarHBondContact O-N 3.44Å; Q239-L242 PolarHBondContact O-N 3.41Å; L242-S244 VanDerWaalsContact C-N 3.3Å; L242-S244 PolarHBondContact O-N 3.18Å; L242-M245 PolarHBondContact O-N 3.31Å; L242-L246 HydrophobicContact CD1-CD1 3.98Å; L242-L246 HydrophobicContact CD1-CG 4.09Å; L242-L246 HydrophobicContact CG-CD1 4.02Å; L242-L246 HydrophobicContact CG-CG 4.44Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.2Å; L242-L246 VanDerWaalsContact O-N 3.09Å; L242-V262 HydrophobicContact CD1-CG1 4.08Å; L242-V262 HydrophobicContact CD2-CG1 3.95Å; L242-A269 HydrophobicContact CD2-CB 3.9Å; L242-V270 HydrophobicContact CD2-CG2 3.8Å; L242-V270 HydrophobicContact CG-CG2 4.28Å |
| 243 | C | 88.1 | Confident | 89 | Confident | 43 Ų | 43 | 19.5 Ų | 19.5 | 29% | 0.291 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -62.6 | -35.7 | 177.4 | -85.6 | 0 | 0 | 0 | 0 | 113 | Q239 I241 L275 | Q239-C243 PolarHBondContact NE2-SG 3.46Å; Q239-C243 WeakPolarHBondContact O-CB 3.46Å; Q239-C243 PolarHBondContact O-N 2.83Å; I241-C243 PolarHBondContact O-N 2.87Å; C243-L275 HydrophobicContact CB-CD2 4.28Å |
| 244 | S | 82.1 | Confident | 89 | Confident | 22 Ų | 22 | 20.4 Ų | 20.4 | 15% | 0.154 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -74 | -37.9 | 177.7 | 74.6 | 0 | 0 | 0 | 0 | 111.6 | A240 I241 L242 S851 H853 | A240-S244 WeakPolarHBondContact O-CB 3.21Å; A240-S244 PolarHBondContact O-N 3.39Å; A240-S244 PolarHBondContact O-OG 2.91Å; I241-S244 PolarHBondContact O-N 3.5Å; I241-S244 PolarHBondContact O-OG 3.46Å; L242-S244 VanDerWaalsContact C-N 3.3Å; L242-S244 PolarHBondContact O-N 3.18Å; S244-S851 WeakPolarHBondContact CB-O 3.33Å; S244-S851 PolarHBondContact OG-O 3.33Å; S244-H853 PolarHBondContact O-CD2 3.45Å; S244-H853 PolarHBondContact O-NE2 2.9Å |
| 245 | M | 85.6 | Confident | 89.3 | Confident | 11 Ų | 11 | 20 Ų | 20 | 5% | 0.054 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.1 | -48.9 | -177.4 | -75.2 | -179.7 | 73.1 | 0 | 0 | 112 | L197 I241 L242 R248 A249 | L197-M245 HydrophobicContact CD2-SD 3.97Å; L197-M245 HydrophobicContact CG-CE 4.48Å; L197-M245 HydrophobicContact CG-SD 4.18Å; L197-M245 WeakPolarHBondContact O-CE 3.4Å; I241-M245 HydrophobicContact CG2-CG 4.05Å; I241-M245 HydrophobicContact CG2-SD 3.46Å; I241-M245 WeakPolarHBondContact CG2-SD 3.35Å; I241-M245 WeakPolarHBondContact O-CB 3.48Å; I241-M245 VanDerWaalsContact O-CG 3.23Å; I241-M245 WeakPolarHBondContact O-CG 3.31Å; I241-M245 PolarHBondContact O-N 3.1Å; L242-M245 PolarHBondContact O-N 3.31Å; M245-R248 CarbonylContact C-O 3.5Å; M245-R248 WeakPolarHBondContact O-CA 3.4Å; M245-R248 VanDerWaalsContact O-CB 3.29Å; M245-R248 WeakPolarHBondContact O-CB 3.38Å; M245-R248 PolarHBondContact O-N 2.95Å; M245-R248 VanDerWaalsContact O-O 3.1Å; M245-A249 WeakPolarHBondContact CE-O 3.31Å |
| 246 | L | 91.5 | Very high | 89.4 | Confident | 10 Ų | 10 | 19.3 Ų | 19.3 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 144 | -173.1 | -67.7 | 179.6 | 0 | 0 | 0 | 112.6 | L242 R248 L259 I263 V270 L275 T279 | L242-L246 HydrophobicContact CD1-CD1 3.98Å; L242-L246 HydrophobicContact CD1-CG 4.09Å; L242-L246 HydrophobicContact CG-CD1 4.02Å; L242-L246 HydrophobicContact CG-CG 4.44Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.2Å; L242-L246 VanDerWaalsContact O-N 3.09Å; L246-R248 VanDerWaalsContact C-N 3.32Å; L246-L259 HydrophobicContact CD2-CD1 3.63Å; L246-L259 HydrophobicContact CD2-CD2 3.82Å; L246-L259 HydrophobicContact CD2-CG 4.22Å; L246-I263 HydrophobicContact CD1-CG2 4.27Å; L246-V270 HydrophobicContact CD1-CG1 4.47Å; L246-V270 HydrophobicContact CD1-CG2 3.42Å; L246-V270 VanDerWaalsContact CD1-CG2 3.42Å; L246-L275 HydrophobicContact CB-CD1 3.89Å; L246-L275 HydrophobicContact CB-CD2 4.05Å; L246-L275 HydrophobicContact CB-CG 4Å; L246-L275 HydrophobicContact CD1-CD2 4.38Å; L246-L275 HydrophobicContact CD1-CG 4.48Å; L246-T279 HydrophobicContact CD2-CG2 4.09Å |
| 247 | P | 93 | Very high | 89.8 | Confident | 31 Ų | 31 | 18.2 Ų | 18.2 | 20% | 0.201 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -78.7 | -3.4 | 5.4 | 34 | -38.5 | 0 | 0 | 0 | 114.4 | I255 L259 I278 T279 E282 | P247-I255 HydrophobicContact CB-CD1 4.2Å; P247-I255 WeakPolarHBondContact O-CD1 3.41Å; P247-L259 WeakPolarHBondContact O-CD1 3.38Å; P247-I278 HydrophobicContact CG-CG2 4.25Å; P247-T279 HydrophobicContact CB-CG2 4.25Å; P247-E282 HydrophobicContact CB-CB 4.33Å; P247-E282 HydrophobicContact CB-CG 4.28Å; P247-E282 HydrophobicContact CG-CG 4.22Å |
| 248 | R | 90.8 | Very high | 90.3 | Very high | 74 Ų | 74 | 17.1 Ų | 17.1 | 28% | 0.279 | 10% | 0.098 | S | C | . | . | trans | -69.8 | 144 | 179 | -59.9 | -177.2 | -67.2 | -85.3 | -4.8 | 111.2 | M245 L246 E254 H853 | M245-R248 CarbonylContact C-O 3.5Å; M245-R248 WeakPolarHBondContact O-CA 3.4Å; M245-R248 VanDerWaalsContact O-CB 3.29Å; M245-R248 WeakPolarHBondContact O-CB 3.38Å; M245-R248 PolarHBondContact O-N 2.95Å; M245-R248 VanDerWaalsContact O-O 3.1Å; L246-R248 VanDerWaalsContact C-N 3.32Å; R248-E254 WeakPolarHBondContact CA-O 3.45Å; R248-E254 WeakPolarHBondContact CG-O 3.23Å; R248-H853 PolarHBondContact NH2-CD2 3.32Å; R248-H853 PolarHBondContact NH2-CE1 3.2Å; R248-H853 PolarHBondContact NH2-NE2 2.85Å; R248-H853 VanDerWaalsContact NH2-NE2 3.16Å | ||
| 249 | A | 91.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 3% | 0.033 | 10% | 0.099 | C | C | . | . | trans | -88.2 | -33.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G199 M245 K253 D256 L259 | G199-A249 PolarHBondContact N-O 2.73Å; M245-A249 WeakPolarHBondContact CE-O 3.31Å; A249-K253 HydrophobicContact CB-CB 4.09Å; A249-K253 PolarHBondContact N-O 3.33Å; A249-K253 VanDerWaalsContact N-O 3.15Å; A249-D256 HydrophobicContact CB-CB 3.3Å; A249-L259 HydrophobicContact CB-CD1 4.01Å; A249-L259 HydrophobicContact CB-CD2 4.5Å; A249-L259 HydrophobicContact CB-CG 4.33Å | ||
| 250 | S | 90.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 16.5 Ų | 16.5 | 5% | 0.049 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -164.6 | -176.9 | 178.2 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | E196 L197 S252 K253 | E196-S250 VanDerWaalsContact CD-CB 3.4Å; E196-S250 WeakPolarHBondContact OE1-CB 3.47Å; E196-S250 PolarHBondContact OE1-OG 3.28Å; E196-S250 PolarHBondContact OE2-OG 3.03Å; L197-S250 VanDerWaalsContact O-CB 3.29Å; L197-S250 WeakPolarHBondContact O-CB 3.41Å; S250-S252 VanDerWaalsContact C-N 3.28Å; S250-S252 PolarHBondContact O-N 3.39Å; S250-S252 PolarHBondContact OG-N 2.77Å; S250-K253 PolarHBondContact N-O 3.38Å; S250-K253 VanDerWaalsContact N-O 3.14Å; S250-K253 PolarHBondContact O-N 3.19Å; S250-K253 VanDerWaalsContact O-O 3.13Å; S250-K253 WeakPolarHBondContact OG-CB 3.25Å; S250-K253 WeakPolarHBondContact OG-CG 3.5Å; S250-K253 PolarHBondContact OG-N 2.73Å |
| 251 | T | 85.7 | Confident | 91.5 | Very high | 62 Ų | 62 | 15.2 Ų | 15.2 | 38% | 0.38 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -61.2 | -34.7 | 175.4 | -58 | 0 | 0 | 0 | 0 | 113.1 | I1116 K1117 | T251-I1116 HydrophobicContact CG2-CB 4.06Å; T251-I1116 HydrophobicContact CG2-CG2 4.06Å; T251-I1116 PolarHBondContact O-N 3.49Å; T251-K1117 HydrophobicContact CG2-CB 4.3Å; T251-K1117 PolarHBondContact O-N 3.09Å |
| 252 | S | 88.5 | Confident | 92.2 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -102.8 | -8.6 | -178.9 | 69.7 | 0 | 0 | 0 | 0 | 114.2 | K189 E196 S250 E1115 | K189-S252 VanDerWaalsContact CD-O 3.22Å; K189-S252 WeakPolarHBondContact CD-O 3.49Å; K189-S252 PolarHBondContact N-OG 3.46Å; E196-S252 PolarHBondContact OE1-OG 3.2Å; E196-S252 WeakPolarHBondContact OE2-CB 3.27Å; E196-S252 PolarHBondContact OE2-N 2.97Å; E196-S252 PolarHBondContact OE2-OG 2.97Å; S250-S252 VanDerWaalsContact C-N 3.28Å; S250-S252 PolarHBondContact O-N 3.39Å; S250-S252 PolarHBondContact OG-N 2.77Å; S252-E1115 VanDerWaalsContact O-CD 3.28Å; S252-E1115 WeakPolarHBondContact O-CG 3.37Å |
| 253 | K | 91 | Very high | 92.5 | Very high | 6 Ų | 6 | 15.4 Ų | 15.4 | 3% | 0.026 | 9% | 0.086 | C | C | . | . | trans | -120.4 | 104.7 | 178.5 | -55.4 | -176.9 | -163.3 | 86.9 | 0 | 110.5 | G187 K189 E196 N198 A249 S250 I255 F296 | G187-K253 PolarHBondContact O-NZ 3.05Å; K189-K253 HydrophobicContact CB-CG 4.21Å; E196-K253 IonicContact OE1-NZ 2.71Å; E196-K253 PolarHBondContact OE1-NZ 3.29Å; N198-K253 PolarHBondContact OD1-NZ 3.34Å; N198-K253 VanDerWaalsContact OD1-NZ 3.13Å; A249-K253 HydrophobicContact CB-CB 4.09Å; A249-K253 PolarHBondContact N-O 3.33Å; A249-K253 VanDerWaalsContact N-O 3.15Å; S250-K253 PolarHBondContact N-O 3.38Å; S250-K253 VanDerWaalsContact N-O 3.14Å; S250-K253 PolarHBondContact O-N 3.19Å; S250-K253 VanDerWaalsContact O-O 3.13Å; S250-K253 WeakPolarHBondContact OG-CB 3.25Å; S250-K253 WeakPolarHBondContact OG-CG 3.5Å; S250-K253 PolarHBondContact OG-N 2.73Å; K253-I255 PolarHBondContact O-N 3.49Å; K253-F296 HydrophobicContact CD-CB 4.46Å; K253-F296 HydrophobicContact CD-CD1 3.97Å; K253-F296 HydrophobicContact CD-CD2 4.46Å; K253-F296 HydrophobicContact CD-CE1 4.35Å; K253-F296 HydrophobicContact CD-CG 4.04Å; K253-F296 HydrophobicContact CG-CG 4.5Å | ||
| 254 | E | 91.5 | Very high | 92.9 | Very high | 30 Ų | 30 | 13.5 Ų | 13.5 | 14% | 0.14 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -64.2 | -22.2 | 178.7 | 64.6 | 167.9 | -108.9 | 0 | 0 | 113.9 | R248 K286 I297 T1112 | R248-E254 WeakPolarHBondContact CA-O 3.45Å; R248-E254 WeakPolarHBondContact CG-O 3.23Å; E254-K286 IonicContact OE1-NZ 3.14Å; E254-K286 PolarHBondContact OE1-NZ 3.16Å; E254-I297 HydrophobicContact CG-CD1 3.95Å; E254-I297 WeakPolarHBondContact OE1-CD1 3.42Å; E254-T1112 PolarHBondContact OE2-OG1 3.27Å |
| 255 | I | 94.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | trans | -161.2 | 150.5 | 174.4 | -168 | 60.7 | 0 | 0 | 0 | 108.9 | P247 K253 L259 E282 I283 K286 L287 F296 I297 | P247-I255 HydrophobicContact CB-CD1 4.2Å; P247-I255 WeakPolarHBondContact O-CD1 3.41Å; K253-I255 PolarHBondContact O-N 3.49Å; I255-L259 HydrophobicContact CD1-CD1 4.25Å; I255-E282 HydrophobicContact CD1-CB 4.02Å; I255-E282 HydrophobicContact CG1-CB 4.39Å; I255-I283 HydrophobicContact CD1-CG1 3.76Å; I255-I283 HydrophobicContact CG1-CG1 3.89Å; I255-K286 HydrophobicContact CG2-CB 4.28Å; I255-K286 HydrophobicContact CG2-CD 4.04Å; I255-L287 HydrophobicContact CG1-CD1 4.19Å; I255-L287 HydrophobicContact CG2-CD1 4Å; I255-L287 HydrophobicContact CG2-CD2 3.93Å; I255-L287 HydrophobicContact CG2-CG 3.95Å; I255-F296 WeakPolarHBondContact O-CB 3.49Å; I255-I297 HydrophobicContact CG2-CD1 4.11Å; I255-I297 HydrophobicContact CG2-CG1 4.49Å | ||
| 256 | D | 96.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.021 | 6% | 0.064 | C | C | . | . | trans | -145.2 | 134.2 | 176.1 | -169.3 | -60.1 | 0 | 0 | 0 | 110 | W184 A249 G258 L259 R295 F296 | W184-D256 PolarHBondContact NE1-OD1 3.03Å; W184-D256 VanDerWaalsContact NE1-OD1 3.1Å; W184-D256 PolarHBondContact NE1-OD2 3.11Å; A249-D256 HydrophobicContact CB-CB 3.3Å; D256-G258 PolarHBondContact O-N 2.91Å; D256-G258 WeakPolarHBondContact OD1-CA 3.15Å; D256-G258 PolarHBondContact OD1-N 3.03Å; D256-L259 WeakPolarHBondContact O-CB 3.24Å; D256-L259 VanDerWaalsContact O-CG 3.32Å; D256-L259 WeakPolarHBondContact O-CG 3.5Å; D256-L259 PolarHBondContact O-N 3.13Å; D256-R295 CarbonylContact C-O 3.57Å; D256-R295 WeakPolarHBondContact CA-O 3.44Å; D256-F296 HydrophobicContact CB-CB 4.49Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.09Å | ||
| 257 | A | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -69.3 | -20.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | L259 L260 I283 L287 C293 C294 R295 F331 | A257-L259 PolarHBondContact O-N 2.72Å; A257-L260 WeakPolarHBondContact O-CB 3.5Å; A257-L260 WeakPolarHBondContact O-CG 3.42Å; A257-L260 PolarHBondContact O-N 2.75Å; A257-L260 VanDerWaalsContact O-N 3.08Å; A257-I283 HydrophobicContact CB-CG2 4.17Å; A257-L287 HydrophobicContact CB-CD1 3.89Å; A257-C293 HydrophobicContact CB-CB 4.17Å; A257-C294 WeakPolarHBondContact CB-O 3.45Å; A257-R295 PolarHBondContact N-O 2.68Å; A257-F331 VanDerWaalsContact C-CE1 3.48Å; A257-F331 HydrophobicContact CB-CD1 3.67Å; A257-F331 HydrophobicContact CB-CD2 3.84Å; A257-F331 HydrophobicContact CB-CE1 3.51Å; A257-F331 HydrophobicContact CB-CE2 3.65Å; A257-F331 HydrophobicContact CB-CG 3.83Å; A257-F331 HydrophobicContact CB-CZ 3.5Å; A257-F331 VanDerWaalsContact CB-CZ 3.5Å |
| 258 | G | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | G | 310 helix | trans | -58.9 | -23 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | M183 D256 L260 S261 | M183-G258 WeakPolarHBondContact SD-CA 3.39Å; D256-G258 PolarHBondContact O-N 2.91Å; D256-G258 WeakPolarHBondContact OD1-CA 3.15Å; D256-G258 PolarHBondContact OD1-N 3.03Å; G258-L260 PolarHBondContact O-N 3.02Å; G258-L260 VanDerWaalsContact O-N 3.17Å; G258-S261 WeakPolarHBondContact O-CB 3.26Å; G258-S261 PolarHBondContact O-N 3.2Å; G258-S261 PolarHBondContact O-OG 3.13Å |
| 259 | L | 97.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | G | 310 helix | trans | -62.1 | -19 | 173.8 | -62.9 | 176.2 | 0 | 0 | 0 | 112.9 | L246 P247 A249 I255 D256 A257 S261 V262 I263 T279 I283 | L246-L259 HydrophobicContact CD2-CD1 3.63Å; L246-L259 HydrophobicContact CD2-CD2 3.82Å; L246-L259 HydrophobicContact CD2-CG 4.22Å; P247-L259 WeakPolarHBondContact O-CD1 3.38Å; A249-L259 HydrophobicContact CB-CD1 4.01Å; A249-L259 HydrophobicContact CB-CD2 4.5Å; A249-L259 HydrophobicContact CB-CG 4.33Å; I255-L259 HydrophobicContact CD1-CD1 4.25Å; D256-L259 WeakPolarHBondContact O-CB 3.24Å; D256-L259 VanDerWaalsContact O-CG 3.32Å; D256-L259 WeakPolarHBondContact O-CG 3.5Å; D256-L259 PolarHBondContact O-N 3.13Å; A257-L259 PolarHBondContact O-N 2.72Å; L259-S261 PolarHBondContact O-N 3.42Å; L259-V262 WeakPolarHBondContact O-CA 3.48Å; L259-V262 WeakPolarHBondContact O-CB 3.48Å; L259-V262 PolarHBondContact O-N 3.38Å; L259-I263 PolarHBondContact O-N 3.45Å; L259-T279 HydrophobicContact CB-CG2 4.28Å; L259-T279 HydrophobicContact CD1-CG2 4.13Å; L259-I283 HydrophobicContact CB-CD1 3.98Å |
| 260 | L | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -57.4 | -34.3 | 171 | -71.5 | 172.6 | 0 | 0 | 0 | 112.4 | A257 G258 V262 I263 S264 I283 F331 Y334 L335 | A257-L260 WeakPolarHBondContact O-CB 3.5Å; A257-L260 WeakPolarHBondContact O-CG 3.42Å; A257-L260 PolarHBondContact O-N 2.75Å; A257-L260 VanDerWaalsContact O-N 3.08Å; G258-L260 PolarHBondContact O-N 3.02Å; G258-L260 VanDerWaalsContact O-N 3.17Å; L260-V262 PolarHBondContact O-N 3.45Å; L260-I263 HydrophobicContact CD2-CD1 4.23Å; L260-S264 WeakPolarHBondContact O-CB 3.35Å; L260-S264 PolarHBondContact O-N 2.63Å; L260-S264 VanDerWaalsContact O-N 3.17Å; L260-I283 HydrophobicContact CD1-CG2 4.26Å; L260-I283 HydrophobicContact CD2-CD1 4.06Å; L260-I283 HydrophobicContact CG-CD1 3.93Å; L260-I283 HydrophobicContact CG-CG2 4.34Å; L260-F331 HydrophobicContact CD1-CB 4.02Å; L260-F331 HydrophobicContact CD1-CD1 4.11Å; L260-F331 HydrophobicContact CD1-CG 4.46Å; L260-Y334 HydrophobicContact CB-CG 4.18Å; L260-L335 HydrophobicContact CD1-CD2 4.33Å; L260-L335 HydrophobicContact CD1-CG 4.26Å; L260-L335 HydrophobicContact CD2-CD2 3.82Å |
| 261 | S | 97.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 8.3 Ų | 8.3 | 3% | 0.028 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -70.9 | -16.4 | 176.2 | 71.1 | 0 | 0 | 0 | 0 | 113.6 | G258 L259 P266 A267 | G258-S261 WeakPolarHBondContact O-CB 3.26Å; G258-S261 PolarHBondContact O-N 3.2Å; G258-S261 PolarHBondContact O-OG 3.13Å; L259-S261 PolarHBondContact O-N 3.42Å; S261-P266 WeakPolarHBondContact O-CD 3.15Å; S261-A267 WeakPolarHBondContact O-CB 3.48Å; S261-A267 PolarHBondContact O-N 3.32Å |
| 262 | V | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -94.9 | -49.4 | -180 | 174 | 0 | 0 | 0 | 0 | 111.7 | L242 L259 L260 S264 F268 A269 V270 | L242-V262 HydrophobicContact CD1-CG1 4.08Å; L242-V262 HydrophobicContact CD2-CG1 3.95Å; L259-V262 WeakPolarHBondContact O-CA 3.48Å; L259-V262 WeakPolarHBondContact O-CB 3.48Å; L259-V262 PolarHBondContact O-N 3.38Å; L260-V262 PolarHBondContact O-N 3.45Å; V262-S264 PolarHBondContact O-N 3.46Å; V262-F268 PolarHBondContact O-N 2.97Å; V262-A269 HydrophobicContact CG1-CB 3.83Å; V262-A269 PolarHBondContact O-N 3.46Å; V262-V270 HydrophobicContact CG1-CG2 4.27Å |
| 263 | I | 97.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 11.5 Ų | 11.5 | 4% | 0.041 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -76.2 | -16.2 | -177.5 | 71.4 | 178.4 | 0 | 0 | 0 | 112.5 | L246 L259 L260 V270 V276 T279 K280 | L246-I263 HydrophobicContact CD1-CG2 4.27Å; L259-I263 PolarHBondContact O-N 3.45Å; L260-I263 HydrophobicContact CD2-CD1 4.23Å; I263-V270 HydrophobicContact CG2-CG2 3.96Å; I263-V276 HydrophobicContact CB-CG1 4.22Å; I263-V276 HydrophobicContact CB-CG2 4.28Å; I263-T279 HydrophobicContact CD1-CG2 4.19Å; I263-T279 HydrophobicContact CG2-CG2 4.04Å; I263-K280 HydrophobicContact CD1-CB 3.9Å |
| 264 | S | 96.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -135.5 | -158.9 | -178.5 | -158 | 0 | 0 | 0 | 0 | 110.7 | L260 V262 A267 F268 D338 | L260-S264 WeakPolarHBondContact O-CB 3.35Å; L260-S264 PolarHBondContact O-N 2.63Å; L260-S264 VanDerWaalsContact O-N 3.17Å; V262-S264 PolarHBondContact O-N 3.46Å; S264-A267 PolarHBondContact O-N 3.03Å; S264-F268 PolarHBondContact O-N 2.74Å; S264-D338 WeakPolarHBondContact CB-OD1 3.45Å; S264-D338 WeakPolarHBondContact OG-CA 3.1Å; S264-D338 WeakPolarHBondContact OG-CB 3.25Å; S264-D338 PolarHBondContact OG-OD1 2.83Å |
| 265 | F | 96.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.018 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 132.8 | 177.1 | -178.1 | -90 | 0 | 0 | 0 | 110.9 | L52 F268 Y334 L337 F341 L406 I423 | L52-F265 HydrophobicContact CD1-CE1 4.05Å; L52-F265 HydrophobicContact CD1-CZ 4.22Å; F265-F268 HydrophobicContact CB-CE1 4.46Å; F265-F268 HydrophobicContact CB-CE2 4.12Å; F265-F268 HydrophobicContact CB-CZ 3.73Å; F265-F268 HydrophobicContact CD2-CE2 4.02Å; F265-F268 HydrophobicContact CD2-CZ 4.24Å; F265-Y334 WeakPolarHBondContact O-CD1 3.42Å; F265-Y334 WeakPolarHBondContact O-CE1 3.49Å; F265-L337 HydrophobicContact CB-CB 4.39Å; F265-L337 HydrophobicContact CD1-CD1 3.82Å; F265-L337 HydrophobicContact CE1-CD1 4.39Å; F265-F341 HydrophobicContact CB-CD2 4.01Å; F265-F341 HydrophobicContact CB-CE2 3.68Å; F265-F341 HydrophobicContact CB-CZ 4.42Å; F265-F341 AromaticContact CD2-CE2 3.58Å; F265-F341 HydrophobicContact CD2-CE2 3.58Å; F265-F341 AromaticContact CD2-CZ 3.58Å; F265-F341 HydrophobicContact CD2-CZ 3.58Å; F265-F341 HydrophobicContact CE2-CE2 4.5Å; F265-F341 HydrophobicContact CE2-CZ 4.27Å; F265-F341 AromaticContact CG-CE2 3.81Å; F265-F341 HydrophobicContact CG-CE2 3.81Å; F265-F341 HydrophobicContact CG-CZ 4.29Å; F265-L406 HydrophobicContact CE1-CD2 4.22Å; F265-I423 HydrophobicContact CD2-CD1 4.35Å; F265-I423 HydrophobicContact CE2-CD1 3.8Å; F265-I423 HydrophobicContact CE2-CG1 4.3Å; F265-I423 HydrophobicContact CZ-CD1 4.14Å |
| 266 | P | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.7 | -13.7 | 10 | 34.5 | -34.8 | 0 | 0 | 0 | 115.9 | Y49 I140 L143 M144 M204 S261 | Y49-P266 HydrophobicContact CE1-CG 4.14Å; I140-P266 HydrophobicContact CD1-CB 4.23Å; I140-P266 HydrophobicContact CD1-CG 3.49Å; I140-P266 VanDerWaalsContact CD1-CG 3.49Å; L143-P266 HydrophobicContact CD2-CB 4.36Å; M144-P266 HydrophobicContact CE-CB 3.68Å; M144-P266 HydrophobicContact SD-CB 4.5Å; M204-P266 HydrophobicContact CE-CG 4.17Å; S261-P266 WeakPolarHBondContact O-CD 3.15Å |
| 267 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -43.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114 | L143 M204 A207 S261 S264 A269 R428 | L143-A267 HydrophobicContact CD2-CB 4.38Å; M204-A267 HydrophobicContact CE-CB 4.16Å; M204-A267 HydrophobicContact SD-CB 4.11Å; A207-A267 HydrophobicContact CB-CB 3.66Å; A207-A267 WeakPolarHBondContact CB-O 3.46Å; S261-A267 WeakPolarHBondContact O-CB 3.48Å; S261-A267 PolarHBondContact O-N 3.32Å; S264-A267 PolarHBondContact O-N 3.03Å; A267-A269 HydrophobicContact CB-CB 4.26Å; A267-A269 PolarHBondContact O-N 2.98Å; A267-R428 VanDerWaalsContact O-CZ 3.26Å; A267-R428 PolarHBondContact O-NE 2.86Å; A267-R428 PolarHBondContact O-NH2 2.99Å |
| 268 | F | 97.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 24 Ų | 24 | 6% | 0.057 | 14% | 0.142 | C | C | . | . | trans | 47.4 | 40.2 | -170.8 | -53.9 | -78.6 | 0 | 0 | 0 | 113 | V262 S264 F265 V270 F341 R428 R429 S431 | V262-F268 PolarHBondContact O-N 2.97Å; S264-F268 PolarHBondContact O-N 2.74Å; F265-F268 HydrophobicContact CB-CE1 4.46Å; F265-F268 HydrophobicContact CB-CE2 4.12Å; F265-F268 HydrophobicContact CB-CZ 3.73Å; F265-F268 HydrophobicContact CD2-CE2 4.02Å; F265-F268 HydrophobicContact CD2-CZ 4.24Å; F268-V270 PolarHBondContact O-N 3.07Å; F268-F341 HydrophobicContact CE1-CB 4.21Å; F268-F341 HydrophobicContact CE1-CD1 4.21Å; F268-F341 HydrophobicContact CE1-CD2 4.44Å; F268-F341 HydrophobicContact CE1-CG 4.06Å; F268-F341 HydrophobicContact CE2-CD1 4.49Å; F268-F341 HydrophobicContact CE2-CE1 4.25Å; F268-F341 HydrophobicContact CE2-CZ 4.42Å; F268-F341 HydrophobicContact CZ-CB 4.34Å; F268-F341 AromaticContact CZ-CD1 3.61Å; F268-F341 HydrophobicContact CZ-CD1 3.61Å; F268-F341 AromaticContact CZ-CD2 3.86Å; F268-F341 HydrophobicContact CZ-CD2 3.86Å; F268-F341 AromaticContact CZ-CE1 3.73Å; F268-F341 HydrophobicContact CZ-CE1 3.73Å; F268-F341 HydrophobicContact CZ-CE2 4.02Å; F268-F341 AromaticContact CZ-CG 3.68Å; F268-F341 HydrophobicContact CZ-CG 3.68Å; F268-F341 AromaticContact CZ-CZ 3.96Å; F268-F341 HydrophobicContact CZ-CZ 3.96Å; F268-R428 HydrophobicContact CB-CB 4.19Å; F268-R428 WeakPolarHBondContact CB-O 3.32Å; F268-R428 HydrophobicContact CD2-CB 3.99Å; F268-R429 HydrophobicContact CD1-CB 4.21Å; F268-R429 HydrophobicContact CD2-CB 4.37Å; F268-R429 HydrophobicContact CE1-CB 3.96Å; F268-R429 HydrophobicContact CE2-CB 4.12Å; F268-R429 HydrophobicContact CG-CB 4.4Å; F268-R429 HydrophobicContact CZ-CB 3.9Å; F268-S431 WeakPolarHBondContact O-CB 3.42Å; F268-S431 PolarHBondContact O-OG 2.98Å | ||
| 269 | A | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -76.8 | -21.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G203 K206 A207 Q239 L242 V262 A267 | G203-A269 WeakPolarHBondContact O-CB 3.42Å; K206-A269 HydrophobicContact CD-CB 4.46Å; K206-A269 PolarHBondContact NZ-O 3.27Å; A207-A269 HydrophobicContact CB-CB 4.28Å; Q239-A269 PolarHBondContact OE1-O 3.15Å; L242-A269 HydrophobicContact CD2-CB 3.9Å; V262-A269 HydrophobicContact CG1-CB 3.83Å; V262-A269 PolarHBondContact O-N 3.46Å; A267-A269 HydrophobicContact CB-CB 4.26Å; A267-A269 PolarHBondContact O-N 2.98Å | ||
| 270 | V | 95.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | trans | -92.7 | 123.6 | -175.2 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | L242 L246 V262 I263 F268 L275 V276 T432 | L242-V270 HydrophobicContact CD2-CG2 3.8Å; L242-V270 HydrophobicContact CG-CG2 4.28Å; L246-V270 HydrophobicContact CD1-CG1 4.47Å; L246-V270 HydrophobicContact CD1-CG2 3.42Å; L246-V270 VanDerWaalsContact CD1-CG2 3.42Å; V262-V270 HydrophobicContact CG1-CG2 4.27Å; I263-V270 HydrophobicContact CG2-CG2 3.96Å; F268-V270 PolarHBondContact O-N 3.07Å; V270-L275 HydrophobicContact CG1-CB 4.25Å; V270-L275 HydrophobicContact CG1-CD2 4.05Å; V270-L275 HydrophobicContact CG1-CG 4.3Å; V270-V276 HydrophobicContact CB-CG2 3.71Å; V270-V276 HydrophobicContact CG1-CG2 3.73Å; V270-T432 WeakPolarHBondContact O-CG2 3.49Å | ||
| 271 | E | 90.9 | Very high | 96.3 | Very high | 31 Ų | 31 | 29 Ų | 29 | 15% | 0.145 | 17% | 0.172 | C | C | . | . | trans | -85.8 | -23.7 | -179.5 | -51.2 | -163.2 | 153.3 | 0 | 0 | 113.6 | A273 T432 K435 R555 | E271-A273 PolarHBondContact O-N 3.27Å; E271-T432 WeakPolarHBondContact O-CA 3.28Å; E271-K435 IonicContact OE1-NZ 3.11Å; E271-K435 PolarHBondContact OE1-NZ 2.99Å; E271-K435 IonicContact OE2-NZ 3.85Å; E271-K435 PolarHBondContact OE2-NZ 3.4Å; E271-R555 IonicContact OE1-NE 2.76Å; E271-R555 IonicContact OE2-CZ 3.67Å; E271-R555 IonicContact OE2-NE 3.87Å; E271-R555 PolarHBondContact OE2-NE 3.38Å; E271-R555 IonicContact OE2-NH2 2.65Å; E271-R555 PolarHBondContact OE2-NH2 3.41Å | ||
| 272 | D | 92 | Very high | 96.3 | Very high | 77 Ų | 77 | 31.7 Ų | 31.7 | 41% | 0.412 | 18% | 0.184 | S | C | . | . | trans | -84.3 | 110.7 | -179.7 | -176.7 | -18.8 | 0 | 0 | 0 | 110.7 | D274 L275 V276 | D272-D274 VanDerWaalsContact C-N 3.32Å; D272-D274 PolarHBondContact O-N 2.95Å; D272-D274 WeakPolarHBondContact OD1-CB 3.47Å; D272-D274 PolarHBondContact OD1-N 3.38Å; D272-L275 HydrophobicContact CB-CB 3.79Å; D272-L275 PolarHBondContact O-N 2.91Å; D272-L275 PolarHBondContact OD1-N 3.11Å; D272-V276 WeakPolarHBondContact O-CG2 3.41Å; D272-V276 PolarHBondContact O-N 3.31Å | ||
| 273 | A | 93.3 | Very high | 96.3 | Very high | 54 Ų | 54 | 31.7 Ų | 31.7 | 45% | 0.446 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.9 | -34.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E271 V276 A277 | E271-A273 PolarHBondContact O-N 3.27Å; A273-V276 PolarHBondContact O-N 3.37Å; A273-A277 WeakPolarHBondContact O-CB 3.44Å; A273-A277 PolarHBondContact O-N 2.85Å |
| 274 | D | 95.6 | Very high | 96.3 | Very high | 119 Ų | 119 | 33.5 Ų | 33.5 | 64% | 0.636 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -69.7 | -40.9 | 177.7 | -70.9 | -27.9 | 0 | 0 | 0 | 109.7 | D272 V276 A277 I278 | D272-D274 VanDerWaalsContact C-N 3.32Å; D272-D274 PolarHBondContact O-N 2.95Å; D272-D274 WeakPolarHBondContact OD1-CB 3.47Å; D272-D274 PolarHBondContact OD1-N 3.38Å; D274-V276 PolarHBondContact O-N 3.39Å; D274-A277 PolarHBondContact O-N 3.37Å; D274-I278 WeakPolarHBondContact O-CB 3.47Å; D274-I278 WeakPolarHBondContact O-CD1 3.36Å; D274-I278 VanDerWaalsContact O-CG1 3.23Å; D274-I278 WeakPolarHBondContact O-CG1 3.48Å; D274-I278 PolarHBondContact O-N 3.33Å |
| 275 | L | 95.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 175.8 | -170.9 | 58.8 | 0 | 0 | 0 | 112.3 | C243 L246 V270 D272 T279 | C243-L275 HydrophobicContact CB-CD2 4.28Å; L246-L275 HydrophobicContact CB-CD1 3.89Å; L246-L275 HydrophobicContact CB-CD2 4.05Å; L246-L275 HydrophobicContact CB-CG 4Å; L246-L275 HydrophobicContact CD1-CD2 4.38Å; L246-L275 HydrophobicContact CD1-CG 4.48Å; V270-L275 HydrophobicContact CG1-CB 4.25Å; V270-L275 HydrophobicContact CG1-CD2 4.05Å; V270-L275 HydrophobicContact CG1-CG 4.3Å; D272-L275 HydrophobicContact CB-CB 3.79Å; D272-L275 PolarHBondContact O-N 2.91Å; D272-L275 PolarHBondContact OD1-N 3.11Å; L275-T279 VanDerWaalsContact O-CB 3.29Å; L275-T279 WeakPolarHBondContact O-CB 3.27Å; L275-T279 PolarHBondContact O-N 3.13Å; L275-T279 PolarHBondContact O-OG1 3.39Å |
| 276 | V | 96.9 | Very high | 96.2 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -48.9 | 171.8 | 169.1 | 0 | 0 | 0 | 0 | 110.4 | I263 V270 D272 A273 D274 T279 K280 T432 | I263-V276 HydrophobicContact CB-CG1 4.22Å; I263-V276 HydrophobicContact CB-CG2 4.28Å; V270-V276 HydrophobicContact CB-CG2 3.71Å; V270-V276 HydrophobicContact CG1-CG2 3.73Å; D272-V276 WeakPolarHBondContact O-CG2 3.41Å; D272-V276 PolarHBondContact O-N 3.31Å; A273-V276 PolarHBondContact O-N 3.37Å; D274-V276 PolarHBondContact O-N 3.39Å; V276-T279 PolarHBondContact O-N 3.15Å; V276-K280 WeakPolarHBondContact O-CB 3.45Å; V276-K280 PolarHBondContact O-N 3.11Å; V276-T432 HydrophobicContact CG2-CG2 4.34Å |
| 277 | A | 96.8 | Very high | 96.3 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.1 | -44.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A273 D274 K280 S281 | A273-A277 WeakPolarHBondContact O-CB 3.44Å; A273-A277 PolarHBondContact O-N 2.85Å; D274-A277 PolarHBondContact O-N 3.37Å; A277-K280 PolarHBondContact O-N 3.37Å; A277-S281 VanDerWaalsContact O-CB 3.29Å; A277-S281 WeakPolarHBondContact O-CB 3.48Å; A277-S281 PolarHBondContact O-N 2.99Å |
| 278 | I | 97.5 | Very high | 96.2 | Very high | 91 Ų | 91 | 44.3 Ų | 44.3 | 47% | 0.467 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 176.5 | -69.7 | 164.1 | 0 | 0 | 0 | 110.3 | P247 D274 S281 E282 | P247-I278 HydrophobicContact CG-CG2 4.25Å; D274-I278 WeakPolarHBondContact O-CB 3.47Å; D274-I278 WeakPolarHBondContact O-CD1 3.36Å; D274-I278 VanDerWaalsContact O-CG1 3.23Å; D274-I278 WeakPolarHBondContact O-CG1 3.48Å; D274-I278 PolarHBondContact O-N 3.33Å; I278-S281 PolarHBondContact O-N 2.93Å; I278-E282 WeakPolarHBondContact O-CG 3.22Å; I278-E282 PolarHBondContact O-N 2.85Å |
| 279 | T | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 179.6 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | L246 P247 L259 I263 L275 V276 S281 E282 I283 | L246-T279 HydrophobicContact CD2-CG2 4.09Å; P247-T279 HydrophobicContact CB-CG2 4.25Å; L259-T279 HydrophobicContact CB-CG2 4.28Å; L259-T279 HydrophobicContact CD1-CG2 4.13Å; I263-T279 HydrophobicContact CD1-CG2 4.19Å; I263-T279 HydrophobicContact CG2-CG2 4.04Å; L275-T279 VanDerWaalsContact O-CB 3.29Å; L275-T279 WeakPolarHBondContact O-CB 3.27Å; L275-T279 PolarHBondContact O-N 3.13Å; L275-T279 PolarHBondContact O-OG1 3.39Å; V276-T279 PolarHBondContact O-N 3.15Å; T279-S281 VanDerWaalsContact C-N 3.34Å; T279-S281 PolarHBondContact O-N 3.47Å; T279-E282 PolarHBondContact O-N 3.33Å; T279-I283 HydrophobicContact CG2-CD1 4.13Å; T279-I283 VanDerWaalsContact O-CG1 3.31Å; T279-I283 WeakPolarHBondContact O-CG1 3.34Å; T279-I283 PolarHBondContact O-N 3.33Å |
| 280 | K | 97.9 | Very high | 96 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 17% | 0.17 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 175.3 | -177 | 167.9 | 68.3 | 166.5 | 0 | 111.4 | I263 V276 A277 E282 I283 I284 L335 D338 | I263-K280 HydrophobicContact CD1-CB 3.9Å; V276-K280 WeakPolarHBondContact O-CB 3.45Å; V276-K280 PolarHBondContact O-N 3.11Å; A277-K280 PolarHBondContact O-N 3.37Å; K280-E282 PolarHBondContact O-N 3.2Å; K280-I283 PolarHBondContact O-N 3.45Å; K280-I284 HydrophobicContact CD-CD1 4.46Å; K280-I284 HydrophobicContact CG-CD1 3.85Å; K280-I284 HydrophobicContact CG-CG1 4.48Å; K280-I284 WeakPolarHBondContact O-CG1 3.46Å; K280-I284 PolarHBondContact O-N 3.5Å; K280-L335 HydrophobicContact CD-CD2 4.24Å; K280-L335 HydrophobicContact CG-CD2 4.41Å; K280-D338 WeakPolarHBondContact CD-OD2 3.36Å; K280-D338 IonicContact NZ-OD2 2.66Å; K280-D338 PolarHBondContact NZ-OD2 2.75Å |
| 281 | S | 98 | Very high | 96.1 | Very high | 71 Ų | 71 | 50.8 Ų | 50.8 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 179.8 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | A277 I278 T279 S285 | A277-S281 VanDerWaalsContact O-CB 3.29Å; A277-S281 WeakPolarHBondContact O-CB 3.48Å; A277-S281 PolarHBondContact O-N 2.99Å; I278-S281 PolarHBondContact O-N 2.93Å; T279-S281 VanDerWaalsContact C-N 3.34Å; T279-S281 PolarHBondContact O-N 3.47Å; S281-S285 WeakPolarHBondContact O-CB 3.48Å; S281-S285 PolarHBondContact O-N 3.41Å; S281-S285 PolarHBondContact O-OG 3.28Å; S281-S285 VanDerWaalsContact O-OG 3.05Å |
| 282 | E | 97.4 | Very high | 96.4 | Very high | 59 Ų | 59 | 49.3 Ų | 49.3 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 176.7 | -75.8 | -70 | 119.8 | 0 | 0 | 112.2 | P247 I255 I278 T279 K280 S285 K286 | P247-E282 HydrophobicContact CB-CB 4.33Å; P247-E282 HydrophobicContact CB-CG 4.28Å; P247-E282 HydrophobicContact CG-CG 4.22Å; I255-E282 HydrophobicContact CD1-CB 4.02Å; I255-E282 HydrophobicContact CG1-CB 4.39Å; I278-E282 WeakPolarHBondContact O-CG 3.22Å; I278-E282 PolarHBondContact O-N 2.85Å; T279-E282 PolarHBondContact O-N 3.33Å; K280-E282 PolarHBondContact O-N 3.2Å; E282-S285 PolarHBondContact O-OG 3.47Å; E282-K286 VanDerWaalsContact O-CB 3.32Å; E282-K286 WeakPolarHBondContact O-CB 3.31Å; E282-K286 PolarHBondContact O-N 2.9Å; E282-K286 VanDerWaalsContact O-N 3.07Å; E282-K286 WeakPolarHBondContact OE2-CE 3.32Å; E282-K286 IonicContact OE2-NZ 2.8Å; E282-K286 PolarHBondContact OE2-NZ 3.17Å |
| 283 | I | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 173.8 | -67.4 | 168.8 | 0 | 0 | 0 | 109.9 | I255 A257 L259 L260 T279 K280 L287 | I255-I283 HydrophobicContact CD1-CG1 3.76Å; I255-I283 HydrophobicContact CG1-CG1 3.89Å; A257-I283 HydrophobicContact CB-CG2 4.17Å; L259-I283 HydrophobicContact CB-CD1 3.98Å; L260-I283 HydrophobicContact CD1-CG2 4.26Å; L260-I283 HydrophobicContact CD2-CD1 4.06Å; L260-I283 HydrophobicContact CG-CD1 3.93Å; L260-I283 HydrophobicContact CG-CG2 4.34Å; T279-I283 HydrophobicContact CG2-CD1 4.13Å; T279-I283 VanDerWaalsContact O-CG1 3.31Å; T279-I283 WeakPolarHBondContact O-CG1 3.34Å; T279-I283 PolarHBondContact O-N 3.33Å; K280-I283 PolarHBondContact O-N 3.45Å; I283-L287 HydrophobicContact CG2-CD1 4.39Å; I283-L287 WeakPolarHBondContact O-CA 3.47Å; I283-L287 VanDerWaalsContact O-CB 3.26Å; I283-L287 WeakPolarHBondContact O-CB 3.37Å; I283-L287 PolarHBondContact O-N 3.27Å |
| 284 | I | 97.6 | Very high | 96.8 | Very high | 47 Ų | 47 | 43.7 Ų | 43.7 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | -178.4 | -65.5 | 173.4 | 0 | 0 | 0 | 110.7 | K280 K286 Q288 L335 | K280-I284 HydrophobicContact CD-CD1 4.46Å; K280-I284 HydrophobicContact CG-CD1 3.85Å; K280-I284 HydrophobicContact CG-CG1 4.48Å; K280-I284 WeakPolarHBondContact O-CG1 3.46Å; K280-I284 PolarHBondContact O-N 3.5Å; I284-K286 PolarHBondContact O-N 3.3Å; I284-Q288 HydrophobicContact CG2-CB 4.44Å; I284-Q288 WeakPolarHBondContact O-CB 3.49Å; I284-Q288 PolarHBondContact O-N 3.32Å; I284-L335 HydrophobicContact CD1-CD2 4.25Å |
| 285 | S | 96.8 | Very high | 96.9 | Very high | 80 Ų | 80 | 38.4 Ų | 38.4 | 56% | 0.559 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.6 | -32.9 | -175.3 | 70 | 0 | 0 | 0 | 0 | 113.6 | S281 E282 | S281-S285 WeakPolarHBondContact O-CB 3.48Å; S281-S285 PolarHBondContact O-N 3.41Å; S281-S285 PolarHBondContact O-OG 3.28Å; S281-S285 VanDerWaalsContact O-OG 3.05Å; E282-S285 PolarHBondContact O-OG 3.47Å |
| 286 | K | 95.4 | Very high | 96.9 | Very high | 89 Ų | 89 | 37.6 Ų | 37.6 | 39% | 0.387 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -103.2 | -29.9 | -174.3 | -67.2 | 179.7 | 170.9 | 179 | 0 | 114.9 | E254 I255 E282 I284 I297 | E254-K286 IonicContact OE1-NZ 3.14Å; E254-K286 PolarHBondContact OE1-NZ 3.16Å; I255-K286 HydrophobicContact CG2-CB 4.28Å; I255-K286 HydrophobicContact CG2-CD 4.04Å; E282-K286 VanDerWaalsContact O-CB 3.32Å; E282-K286 WeakPolarHBondContact O-CB 3.31Å; E282-K286 PolarHBondContact O-N 2.9Å; E282-K286 VanDerWaalsContact O-N 3.07Å; E282-K286 WeakPolarHBondContact OE2-CE 3.32Å; E282-K286 IonicContact OE2-NZ 2.8Å; E282-K286 PolarHBondContact OE2-NZ 3.17Å; I284-K286 PolarHBondContact O-N 3.3Å; K286-I297 HydrophobicContact CB-CD1 4.47Å; K286-I297 HydrophobicContact CD-CD1 4.4Å |
| 287 | L | 97 | Very high | 96.7 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -112.7 | -18.5 | -170.2 | -56.6 | -179.7 | 0 | 0 | 0 | 113.6 | I255 A257 I283 C293 C294 I297 | I255-L287 HydrophobicContact CG1-CD1 4.19Å; I255-L287 HydrophobicContact CG2-CD1 4Å; I255-L287 HydrophobicContact CG2-CD2 3.93Å; I255-L287 HydrophobicContact CG2-CG 3.95Å; A257-L287 HydrophobicContact CB-CD1 3.89Å; I283-L287 HydrophobicContact CG2-CD1 4.39Å; I283-L287 WeakPolarHBondContact O-CA 3.47Å; I283-L287 VanDerWaalsContact O-CB 3.26Å; I283-L287 WeakPolarHBondContact O-CB 3.37Å; I283-L287 PolarHBondContact O-N 3.27Å; L287-C293 HydrophobicContact CB-CB 4.23Å; L287-C293 CarbonylContact O-C 3.56Å; L287-C293 WeakPolarHBondContact O-CA 3.43Å; L287-C294 HydrophobicContact CD2-CB 4.49Å; L287-C294 PolarHBondContact O-N 3.4Å; L287-I297 HydrophobicContact CD2-CG1 3.81Å |
| 288 | Q | 96.3 | Very high | 96.5 | Very high | 62 Ų | 62 | 35.6 Ų | 35.6 | 29% | 0.29 | 18% | 0.184 | S | C | . | . | B | Isolated β-bridge | trans | -71.4 | 133.3 | -179 | -170.5 | 173.2 | -78.3 | 0 | 0 | 111.5 | I284 Y351 | I284-Q288 HydrophobicContact CG2-CB 4.44Å; I284-Q288 WeakPolarHBondContact O-CB 3.49Å; I284-Q288 PolarHBondContact O-N 3.32Å; Q288-Y351 PolarHBondContact OE1-OH 2.98Å |
| 289 | G | 94.9 | Very high | 96.3 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 13% | 0.134 | 16% | 0.161 | C | C | . | . | trans | -122.4 | -160.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G292 | G289-G292 PolarHBondContact N-O 3.01Š| ||
| 290 | R | 95.5 | Very high | 96 | Very high | 104 Ų | 104 | 31.3 Ų | 31.3 | 39% | 0.392 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -81.7 | -12.3 | -175.9 | -64.7 | -164.6 | -65.6 | 131.5 | -3.1 | 114.3 | E327 W332 H388 V390 D391 | R290-E327 PolarHBondContact N-OE2 2.78Å; R290-W332 WeakPolarHBondContact O-CH2 3.44Å; R290-H388 PolarHBondContact NE-O 3.24Å; R290-V390 PolarHBondContact NH2-O 3.27Å; R290-D391 IonicContact CZ-OD1 2.9Å; R290-D391 IonicContact NH1-OD1 3.97Å; R290-D391 PolarHBondContact NH1-OD1 3Å; R290-D391 IonicContact NH2-OD1 3.03Å; R290-D391 PolarHBondContact NH2-OD1 3.5Å |
| 291 | Y | 97.3 | Very high | 95.8 | Very high | 32 Ų | 32 | 31.2 Ų | 31.2 | 13% | 0.125 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -128.5 | -0.7 | -173.7 | -60.1 | -95.6 | 0 | 0 | 0 | 113.6 | E327 P329 W332 V358 Y373 D391 R392 | Y291-E327 WeakPolarHBondContact CA-OE2 3.3Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.12Å; Y291-E327 WeakPolarHBondContact CD2-OE2 3.48Å; Y291-E327 PolarHBondContact N-OE2 2.97Å; Y291-P329 WeakPolarHBondContact O-CG 3.43Å; Y291-W332 VanDerWaalsContact C-CH2 3.48Å; Y291-V358 HydrophobicContact CD1-CG1 3.69Å; Y291-V358 HydrophobicContact CE1-CG1 4.49Å; Y291-V358 HydrophobicContact CG-CG1 4.39Å; Y291-Y373 AromaticContact CD1-CD1 3.49Å; Y291-Y373 HydrophobicContact CD1-CD1 3.49Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.49Å; Y291-Y373 HydrophobicContact CD1-CD2 4.13Å; Y291-Y373 AromaticContact CD1-CE1 3.73Å; Y291-Y373 HydrophobicContact CD1-CE1 3.73Å; Y291-Y373 HydrophobicContact CD1-CE2 4.33Å; Y291-Y373 AromaticContact CD1-CG 3.73Å; Y291-Y373 HydrophobicContact CD1-CG 3.73Å; Y291-Y373 AromaticContact CE1-CD1 3.92Å; Y291-Y373 HydrophobicContact CE1-CD1 3.92Å; Y291-Y373 HydrophobicContact CE1-CE1 4.05Å; Y291-Y373 HydrophobicContact CG-CD1 4.05Å; Y291-Y373 HydrophobicContact CG-CD2 4.3Å; Y291-Y373 AromaticContact CG-CG 3.86Å; Y291-Y373 HydrophobicContact CG-CG 3.86Å; Y291-D391 WeakPolarHBondContact OH-CA 3.33Å; Y291-D391 PolarHBondContact OH-OD1 3.46Å; Y291-R392 HydrophobicContact CD2-CB 3.97Å; Y291-R392 HydrophobicContact CD2-CG 4.1Å; Y291-R392 HydrophobicContact CE2-CB 3.74Å; Y291-R392 HydrophobicContact CE2-CG 3.91Å; Y291-R392 PolarHBondContact OH-N 3.49Å |
| 292 | G | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 156.1 | -153.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G289 W328 W332 | G289-G292 PolarHBondContact N-O 3.01Å; G292-W328 WeakPolarHBondContact CA-O 3.09Å; G292-W332 VanDerWaalsContact N-CZ2 3.27Å |
| 293 | C | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -113.9 | 146.9 | 167.8 | -54 | 0 | 0 | 0 | 0 | 110.8 | A257 L287 W328 F331 | A257-C293 HydrophobicContact CB-CB 4.17Å; L287-C293 HydrophobicContact CB-CB 4.23Å; L287-C293 CarbonylContact O-C 3.56Å; L287-C293 WeakPolarHBondContact O-CA 3.43Å; C293-W328 PolarHBondContact N-O 2.96Å; C293-W328 WeakPolarHBondContact O-CB 3.32Å; C293-W328 PolarHBondContact O-N 3.43Å; C293-F331 HydrophobicContact CB-CB 3.86Å; C293-F331 HydrophobicContact CB-CD2 3.64Å; C293-F331 HydrophobicContact CB-CE2 4.49Å; C293-F331 HydrophobicContact CB-CG 4.01Å; C293-F331 WeakPolarHBondContact O-CD2 3.41Å |
| 294 | C | 96.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 30 Ų | 30 | 9% | 0.088 | 15% | 0.15 | C | C | . | . | trans | -65.2 | 152.3 | 163.1 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | A257 L287 E325 C326 | A257-C294 WeakPolarHBondContact CB-O 3.45Å; L287-C294 HydrophobicContact CD2-CB 4.49Å; L287-C294 PolarHBondContact O-N 3.4Å; C294-E325 HydrophobicContact CB-CB 4.05Å; C294-C326 WeakPolarHBondContact CA-O 3.39Å | ||
| 295 | R | 96.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -65.2 | -50.4 | 178 | -62.4 | -173.3 | -61.3 | 169.9 | 15.5 | 110.9 | W184 D256 A257 D299 W328 F331 | W184-R295 HydrophobicContact CD2-CG 4.46Å; W184-R295 HydrophobicContact CH2-CG 4.11Å; W184-R295 HydrophobicContact CZ2-CB 4.14Å; W184-R295 HydrophobicContact CZ2-CG 3.94Å; W184-R295 HydrophobicContact CZ3-CG 4.44Å; D256-R295 CarbonylContact C-O 3.57Å; D256-R295 WeakPolarHBondContact CA-O 3.44Å; A257-R295 PolarHBondContact N-O 2.68Å; R295-D299 IonicContact CZ-OD1 3.28Å; R295-D299 IonicContact CZ-OD2 3.37Å; R295-D299 IonicContact NE-OD2 3.48Å; R295-D299 PolarHBondContact NE-OD2 2.98Å; R295-D299 IonicContact NH2-OD1 3.4Å; R295-D299 PolarHBondContact NH2-OD1 3.28Å; R295-D299 IonicContact NH2-OD2 2.88Å; R295-D299 PolarHBondContact NH2-OD2 2.87Å; R295-W328 HydrophobicContact CG-CD2 4.28Å; R295-W328 HydrophobicContact CG-CG 4.27Å; R295-W328 HydrophobicContact CG-CZ2 4.43Å; R295-F331 HydrophobicContact CG-CE2 4.22Å; R295-F331 HydrophobicContact CG-CZ 4.29Å |
| 296 | F | 95.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.013 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -157.6 | 165.5 | 171.8 | 50.8 | -93.4 | 0 | 0 | 0 | 109.5 | W184 K189 K253 I255 D256 D299 | W184-F296 AromaticContact CD1-CD1 3.95Å; W184-F296 AromaticContact CD1-CE1 3.73Å; W184-F296 HydrophobicContact CG-CE1 4.32Å; K189-F296 HydrophobicContact CG-CD2 4.28Å; K189-F296 HydrophobicContact CG-CE2 3.96Å; K253-F296 HydrophobicContact CD-CB 4.46Å; K253-F296 HydrophobicContact CD-CD1 3.97Å; K253-F296 HydrophobicContact CD-CD2 4.46Å; K253-F296 HydrophobicContact CD-CE1 4.35Å; K253-F296 HydrophobicContact CD-CG 4.04Å; K253-F296 HydrophobicContact CG-CG 4.5Å; I255-F296 WeakPolarHBondContact O-CB 3.49Å; D256-F296 HydrophobicContact CB-CB 4.49Å; D256-F296 WeakPolarHBondContact OD2-CD1 3.09Å; F296-D299 HydrophobicContact CD2-CB 3.83Å; F296-D299 HydrophobicContact CE1-CB 4.38Å; F296-D299 HydrophobicContact CE2-CB 3.59Å; F296-D299 HydrophobicContact CG-CB 4.32Å; F296-D299 HydrophobicContact CZ-CB 3.89Å; F296-D299 VanDerWaalsContact O-CB 3.29Å; F296-D299 WeakPolarHBondContact O-CB 3.18Å; F296-D299 PolarHBondContact O-N 3.32Å |
| 297 | I | 93.7 | Very high | 94 | Very high | 32 Ų | 32 | 27.6 Ų | 27.6 | 16% | 0.164 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 137.7 | -178.5 | -64.5 | 164.1 | 0 | 0 | 0 | 110.6 | K189 E254 I255 K286 L287 D299 T1112 | K189-I297 WeakPolarHBondContact CE-O 3.31Å; K189-I297 PolarHBondContact NZ-O 3.09Å; E254-I297 HydrophobicContact CG-CD1 3.95Å; E254-I297 WeakPolarHBondContact OE1-CD1 3.42Å; I255-I297 HydrophobicContact CG2-CD1 4.11Å; I255-I297 HydrophobicContact CG2-CG1 4.49Å; K286-I297 HydrophobicContact CB-CD1 4.47Å; K286-I297 HydrophobicContact CD-CD1 4.4Å; L287-I297 HydrophobicContact CD2-CG1 3.81Å; I297-D299 VanDerWaalsContact C-N 3.28Å; I297-D299 PolarHBondContact O-N 3.21Å; I297-T1112 HydrophobicContact CG2-CG2 4.27Å |
| 298 | R | 92.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 34.2 | -176.2 | -64.1 | 177.7 | -172.6 | 176.3 | 6.9 | 114 | L318 E322 E325 T1108 R1109 M1111 | R298-L318 HydrophobicContact CB-CB 4.45Å; R298-L318 VanDerWaalsContact CB-O 3.3Å; R298-L318 WeakPolarHBondContact CB-O 3.23Å; R298-L318 WeakPolarHBondContact CD-O 3.5Å; R298-L318 VanDerWaalsContact CG-O 3.28Å; R298-L318 WeakPolarHBondContact CG-O 3.4Å; R298-E322 HydrophobicContact CG-CB 3.92Å; R298-E322 HydrophobicContact CG-CG 4.2Å; R298-E322 IonicContact CZ-OE1 2.76Å; R298-E322 VanDerWaalsContact CZ-OE1 3.29Å; R298-E322 IonicContact NE-OE1 3.95Å; R298-E322 PolarHBondContact NE-OE1 3.5Å; R298-E322 IonicContact NH2-OE1 2.95Å; R298-E322 PolarHBondContact NH2-OE1 2.63Å; R298-E325 WeakPolarHBondContact CA-OE1 3.37Å; R298-E325 PolarHBondContact N-OE1 2.84Å; R298-T1108 PolarHBondContact NH1-O 2.88Å; R298-T1108 PolarHBondContact NH2-O 3.49Å; R298-R1109 PolarHBondContact NH1-O 3.37Å; R298-M1111 PolarHBondContact NH1-O 2.93Å; R298-M1111 VanDerWaalsContact NH1-O 3.12Å |
| 299 | D | 93.1 | Very high | 93 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -77.6 | 119.8 | 169.8 | -179.4 | 22.1 | 0 | 0 | 0 | 111.1 | R295 F296 I297 Y301 C303 | R295-D299 IonicContact CZ-OD1 3.28Å; R295-D299 IonicContact CZ-OD2 3.37Å; R295-D299 IonicContact NE-OD2 3.48Å; R295-D299 PolarHBondContact NE-OD2 2.98Å; R295-D299 IonicContact NH2-OD1 3.4Å; R295-D299 PolarHBondContact NH2-OD1 3.28Å; R295-D299 IonicContact NH2-OD2 2.88Å; R295-D299 PolarHBondContact NH2-OD2 2.87Å; F296-D299 HydrophobicContact CD2-CB 3.83Å; F296-D299 HydrophobicContact CE1-CB 4.38Å; F296-D299 HydrophobicContact CE2-CB 3.59Å; F296-D299 HydrophobicContact CG-CB 4.32Å; F296-D299 HydrophobicContact CZ-CB 3.89Å; F296-D299 VanDerWaalsContact O-CB 3.29Å; F296-D299 WeakPolarHBondContact O-CB 3.18Å; F296-D299 PolarHBondContact O-N 3.32Å; I297-D299 VanDerWaalsContact C-N 3.28Å; I297-D299 PolarHBondContact O-N 3.21Å; D299-Y301 PolarHBondContact OD1-N 3.33Å; D299-C303 PolarHBondContact O-SG 3.14Å | ||
| 300 | G | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -85 | -6.2 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | H302 C303 E306 Y313 | G300-H302 PolarHBondContact O-N 3.46Å; G300-C303 VanDerWaalsContact O-CB 3.23Å; G300-C303 WeakPolarHBondContact O-CB 3.5Å; G300-C303 PolarHBondContact O-N 3.3Å; G300-E306 VanDerWaalsContact O-CB 3.27Å; G300-E306 WeakPolarHBondContact O-CB 3.24Å; G300-E306 WeakPolarHBondContact O-CG 3.47Å; G300-Y313 WeakPolarHBondContact CA-OH 3.42Å; G300-Y313 PolarHBondContact N-OH 3.39Å | ||
| 301 | Y | 92.3 | Very high | 91.6 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 122.5 | -170.7 | 179.4 | -106.1 | 0 | 0 | 0 | 112.5 | D299 C303 Y313 C326 W328 E371 L372 | D299-Y301 PolarHBondContact OD1-N 3.33Å; Y301-C303 PolarHBondContact O-N 2.73Å; Y301-C303 VanDerWaalsContact O-N 3.16Å; Y301-Y313 PolarHBondContact N-OH 3.23Å; Y301-C326 PolarHBondContact O-SG 3.08Å; Y301-W328 HydrophobicContact CD1-CH2 4.49Å; Y301-W328 AromaticContact CD1-CZ2 3.67Å; Y301-W328 HydrophobicContact CD1-CZ2 3.67Å; Y301-W328 AromaticContact CE1-CH2 3.93Å; Y301-W328 HydrophobicContact CE1-CH2 3.93Å; Y301-W328 AromaticContact CE1-CZ2 3.52Å; Y301-W328 HydrophobicContact CE1-CZ2 3.52Å; Y301-E371 PolarHBondContact OH-OE1 3.43Å; Y301-E371 VanDerWaalsContact OH-OE1 3.1Å; Y301-L372 HydrophobicContact CD1-CD2 4.02Å; Y301-L372 HydrophobicContact CE1-CD2 3.9Å |
| 302 | H | 92.1 | Very high | 91 | Very high | 71 Ų | 71 | 40.2 Ų | 40.2 | 33% | 0.329 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 13.5 | -172.6 | -74.4 | -57.9 | 0 | 0 | 0 | 115.1 | G300 E306 C326 L372 | G300-H302 PolarHBondContact O-N 3.46Å; H302-E306 WeakPolarHBondContact CA-OE2 3.27Å; H302-E306 PolarHBondContact N-OE2 2.77Å; H302-C326 VanDerWaalsContact C-SG 3.5Å; H302-C326 PolarHBondContact O-SG 3.41Å; H302-C326 VanDerWaalsContact O-SG 3.41Å; H302-L372 HydrophobicContact CB-CD1 4.18Å; H302-L372 HydrophobicContact CB-CD2 4Å |
| 303 | C | 92 | Very high | 90.4 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | trans | -67.1 | 147.4 | 174.1 | -70.2 | 0 | 0 | 0 | 0 | 110.2 | D299 G300 Y301 K305 E306 F321 E325 | D299-C303 PolarHBondContact O-SG 3.14Å; G300-C303 VanDerWaalsContact O-CB 3.23Å; G300-C303 WeakPolarHBondContact O-CB 3.5Å; G300-C303 PolarHBondContact O-N 3.3Å; Y301-C303 PolarHBondContact O-N 2.73Å; Y301-C303 VanDerWaalsContact O-N 3.16Å; C303-K305 PolarHBondContact O-N 2.88Å; C303-E306 VanDerWaalsContact O-CB 3.25Å; C303-E306 WeakPolarHBondContact O-CB 3.4Å; C303-E306 PolarHBondContact O-N 2.77Å; C303-F321 HydrophobicContact CB-CD1 4.12Å; C303-E325 VanDerWaalsContact SG-CA 3.59Å | ||
| 304 | P | 91.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 44.7 Ų | 44.7 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.4 | -175.9 | 24.4 | -34.4 | 0 | 0 | 0 | 114.2 | I324 V375 L377 V380 | P304-I324 HydrophobicContact CG-CD1 4.06Å; P304-V375 HydrophobicContact CG-CB 4.22Å; P304-L377 HydrophobicContact CB-CD1 3.87Å; P304-L377 WeakPolarHBondContact O-CD1 3.48Å; P304-V380 HydrophobicContact CB-CG2 3.7Å; P304-V380 HydrophobicContact CG-CG2 3.38Å |
| 305 | K | 91.8 | Very high | 88.3 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 0 | 174.9 | -60.7 | -74.2 | -174.3 | 169.6 | 0 | 113.2 | C303 F321 I324 V380 E381 | C303-K305 PolarHBondContact O-N 2.88Å; K305-F321 HydrophobicContact CB-CD1 4.48Å; K305-F321 HydrophobicContact CB-CE1 4.36Å; K305-I324 HydrophobicContact CB-CD1 4.24Å; K305-I324 HydrophobicContact CG-CD1 3.78Å; K305-V380 HydrophobicContact CD-CG1 4.42Å; K305-V380 HydrophobicContact CG-CG1 4.26Å; K305-E381 IonicContact NZ-OE1 2.97Å; K305-E381 PolarHBondContact NZ-OE1 2.94Å |
| 306 | E | 91.3 | Very high | 87.3 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | trans | -71.5 | 142.5 | 175.3 | -168.6 | -175.5 | -148.3 | 0 | 0 | 110.2 | R186 G300 H302 C303 P308 Y313 F321 | R186-E306 IonicContact NH2-OE1 3.87Å; R186-E306 PolarHBondContact NH2-OE1 3.06Å; G300-E306 VanDerWaalsContact O-CB 3.27Å; G300-E306 WeakPolarHBondContact O-CB 3.24Å; G300-E306 WeakPolarHBondContact O-CG 3.47Å; H302-E306 WeakPolarHBondContact CA-OE2 3.27Å; H302-E306 PolarHBondContact N-OE2 2.77Å; C303-E306 VanDerWaalsContact O-CB 3.25Å; C303-E306 WeakPolarHBondContact O-CB 3.4Å; C303-E306 PolarHBondContact O-N 2.77Å; E306-P308 VanDerWaalsContact O-CD 3.25Å; E306-P308 WeakPolarHBondContact O-CD 3.32Å; E306-Y313 HydrophobicContact CG-CE1 4.1Å; E306-Y313 PolarHBondContact OE1-OH 3.49Å; E306-F321 HydrophobicContact CB-CE1 4.39Å | ||
| 307 | D | 87.9 | Confident | 86.8 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | trans | -91.8 | 103.6 | 167.6 | -179 | -6 | 0 | 0 | 0 | 109.8 | S309 R310 | D307-S309 PolarHBondContact O-N 3.31Å; D307-S309 VanDerWaalsContact O-N 3.12Å; D307-S309 VanDerWaalsContact OD1-CB 3.32Å; D307-S309 WeakPolarHBondContact OD1-CB 3.46Å; D307-S309 PolarHBondContact OD1-N 3.43Å; D307-S309 PolarHBondContact OD1-OG 2.97Å; D307-S309 PolarHBondContact OD2-OG 2.69Å; D307-R310 PolarHBondContact O-N 2.81Å; D307-R310 IonicContact OD2-CZ 3.38Å; D307-R310 IonicContact OD2-NE 2.83Å; D307-R310 PolarHBondContact OD2-NE 3.17Å; D307-R310 IonicContact OD2-NH2 3.06Å; D307-R310 PolarHBondContact OD2-NH2 3.32Å | ||
| 308 | P | 84.6 | Confident | 86.6 | Confident | 119 Ų | 119 | 49.1 Ų | 49.1 | 77% | 0.773 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -6 | -175.8 | 32.2 | -37.4 | 0 | 0 | 0 | 113.3 | E306 R310 | E306-P308 VanDerWaalsContact O-CD 3.25Å; E306-P308 WeakPolarHBondContact O-CD 3.32Å; P308-R310 VanDerWaalsContact C-N 3.35Å |
| 309 | S | 86.2 | Confident | 86.4 | Confident | 101 Ų | 101 | 52.1 Ų | 52.1 | 71% | 0.706 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -14.2 | 178.7 | 74.8 | 0 | 0 | 0 | 0 | 113.3 | D307 | D307-S309 PolarHBondContact O-N 3.31Å; D307-S309 VanDerWaalsContact O-N 3.12Å; D307-S309 VanDerWaalsContact OD1-CB 3.32Å; D307-S309 WeakPolarHBondContact OD1-CB 3.46Å; D307-S309 PolarHBondContact OD1-N 3.43Å; D307-S309 PolarHBondContact OD1-OG 2.97Å; D307-S309 PolarHBondContact OD2-OG 2.69Å |
| 310 | R | 84.3 | Confident | 86.3 | Confident | 84 Ų | 84 | 56 Ų | 56 | 32% | 0.317 | 30% | 0.303 | S | S | . | . | trans | -112.9 | 144.8 | -179.8 | -72.9 | -178.5 | -72.6 | 124.3 | -6.9 | 111.3 | D307 P308 H312 D314 E317 | D307-R310 PolarHBondContact O-N 2.81Å; D307-R310 IonicContact OD2-CZ 3.38Å; D307-R310 IonicContact OD2-NE 2.83Å; D307-R310 PolarHBondContact OD2-NE 3.17Å; D307-R310 IonicContact OD2-NH2 3.06Å; D307-R310 PolarHBondContact OD2-NH2 3.32Å; P308-R310 VanDerWaalsContact C-N 3.35Å; R310-H312 PolarHBondContact NH1-O 2.92Å; R310-D314 IonicContact NH1-OD1 3.77Å; R310-D314 IonicContact NH1-OD2 3.53Å; R310-E317 IonicContact CZ-OE1 2.73Å; R310-E317 IonicContact NH1-OE1 3.6Å; R310-E317 PolarHBondContact NH1-OE1 2.69Å; R310-E317 IonicContact NH1-OE2 3.55Å; R310-E317 PolarHBondContact NH1-OE2 3.35Å; R310-E317 IonicContact NH2-OE1 3.44Å; R310-E317 PolarHBondContact NH2-OE1 2.92Å; R310-E317 IonicContact NH2-OE2 3.38Å | ||
| 311 | L | 77.4 | Confident | 86.4 | Confident | 103 Ų | 103 | 56 Ų | 56 | 54% | 0.539 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -78.9 | -32.7 | 173.5 | -175 | 62.9 | 0 | 0 | 0 | 112.2 | N191 | N191-L311 PolarHBondContact ND2-O 3.31Š|
| 312 | H | 84.1 | Confident | 86.3 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -115.2 | 144.5 | -172.5 | -56.2 | -52.2 | 0 | 0 | 0 | 111.7 | N191 R310 | N191-H312 VanDerWaalsContact O-CA 3.29Å; N191-H312 WeakPolarHBondContact O-CA 3.36Å; N191-H312 VanDerWaalsContact O-CB 3.27Å; N191-H312 WeakPolarHBondContact O-CB 3.42Å; N191-H312 VanDerWaalsContact O-CG 3.29Å; N191-H312 PolarHBondContact O-ND1 3.47Å; R310-H312 PolarHBondContact NH1-O 2.92Å |
| 313 | Y | 84.5 | Confident | 86.4 | Confident | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | trans | -83.9 | 146.6 | -177.9 | -60.3 | -27.2 | 0 | 0 | 0 | 112.7 | R186 N191 Q192 G300 Y301 E306 E317 L318 F321 | R186-Y313 VanDerWaalsContact CZ-OH 3.27Å; R186-Y313 PolarHBondContact NH1-OH 3.32Å; R186-Y313 PolarHBondContact NH2-OH 2.89Å; N191-Y313 HydrophobicContact CB-CD2 4.05Å; N191-Y313 HydrophobicContact CB-CE2 4.25Å; N191-Y313 HydrophobicContact CB-CG 4.46Å; Q192-Y313 PolarHBondContact NE2-O 3.25Å; G300-Y313 WeakPolarHBondContact CA-OH 3.42Å; G300-Y313 PolarHBondContact N-OH 3.39Å; Y301-Y313 PolarHBondContact N-OH 3.23Å; E306-Y313 HydrophobicContact CG-CE1 4.1Å; E306-Y313 PolarHBondContact OE1-OH 3.49Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.36Å; Y313-L318 HydrophobicContact CD2-CD1 4.13Å; Y313-F321 HydrophobicContact CD1-CE2 4.34Å; Y313-F321 HydrophobicContact CD1-CZ 4.45Å; Y313-F321 AromaticContact CD2-CE2 3.95Å; Y313-F321 HydrophobicContact CD2-CE2 3.95Å; Y313-F321 HydrophobicContact CE1-CE2 4.26Å; Y313-F321 HydrophobicContact CE1-CZ 4.37Å; Y313-F321 HydrophobicContact CE2-CD2 4.42Å; Y313-F321 AromaticContact CE2-CE2 3.82Å; Y313-F321 HydrophobicContact CE2-CE2 3.82Å; Y313-F321 HydrophobicContact CG-CE2 4.17Å; Y313-F321 AromaticContact CZ-CE2 3.94Å | ||
| 314 | D | 82.8 | Confident | 86.6 | Confident | 88 Ų | 88 | 55.7 Ų | 55.7 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | trans | -72.9 | 143.6 | 166.7 | -70.7 | -22.5 | 0 | 0 | 0 | 109.7 | R310 A316 E317 | R310-D314 IonicContact NH1-OD1 3.77Å; R310-D314 IonicContact NH1-OD2 3.53Å; D314-A316 PolarHBondContact O-N 3.17Å; D314-E317 HydrophobicContact CB-CG 3.93Å; D314-E317 PolarHBondContact N-OE2 2.88Å; D314-E317 VanDerWaalsContact O-CB 3.31Å; D314-E317 WeakPolarHBondContact O-CB 3.43Å; D314-E317 PolarHBondContact O-N 2.67Å | ||
| 315 | P | 69.2 | Low | 86.8 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -52.6 | -37.8 | -172.3 | -29.7 | 34.7 | 0 | 0 | 0 | 114.5 | E317 E1110 | P315-E317 VanDerWaalsContact C-N 3.33Å; P315-E317 PolarHBondContact O-N 2.88Å; P315-E1110 HydrophobicContact CB-CG 4Å; P315-E1110 WeakPolarHBondContact O-CG 3.44Å |
| 316 | A | 75.4 | Confident | 87 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 45% | 0.446 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -77.8 | -12.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D314 L318 | D314-A316 PolarHBondContact O-N 3.17Å; A316-L318 VanDerWaalsContact C-N 3.33Å; A316-L318 PolarHBondContact O-N 3.48Å |
| 317 | E | 84.8 | Confident | 87.3 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -69.4 | -29.2 | -176.8 | -74.5 | 177 | 161.1 | 0 | 0 | 112.7 | R310 Y313 D314 P315 K319 L320 F321 | R310-E317 IonicContact CZ-OE1 2.73Å; R310-E317 IonicContact NH1-OE1 3.6Å; R310-E317 PolarHBondContact NH1-OE1 2.69Å; R310-E317 IonicContact NH1-OE2 3.55Å; R310-E317 PolarHBondContact NH1-OE2 3.35Å; R310-E317 IonicContact NH2-OE1 3.44Å; R310-E317 PolarHBondContact NH2-OE1 2.92Å; R310-E317 IonicContact NH2-OE2 3.38Å; Y313-E317 WeakPolarHBondContact CA-OE2 3.36Å; D314-E317 HydrophobicContact CB-CG 3.93Å; D314-E317 PolarHBondContact N-OE2 2.88Å; D314-E317 VanDerWaalsContact O-CB 3.31Å; D314-E317 WeakPolarHBondContact O-CB 3.43Å; D314-E317 PolarHBondContact O-N 2.67Å; P315-E317 VanDerWaalsContact C-N 3.33Å; P315-E317 PolarHBondContact O-N 2.88Å; E317-K319 PolarHBondContact O-N 3.39Å; E317-K319 VanDerWaalsContact O-N 3.15Å; E317-L320 HydrophobicContact CG-CD1 4.44Å; E317-L320 WeakPolarHBondContact O-CA 3.28Å; E317-L320 VanDerWaalsContact O-CB 3.22Å; E317-L320 WeakPolarHBondContact O-CB 3.14Å; E317-L320 PolarHBondContact O-N 3.39Å; E317-F321 HydrophobicContact CB-CE2 4.02Å; E317-F321 HydrophobicContact CB-CZ 3.8Å; E317-F321 PolarHBondContact O-N 3.48Å |
| 318 | L | 88.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.2 | -39.1 | -177 | -79.5 | 71 | 0 | 0 | 0 | 111.8 | K189 T190 R298 Y313 A316 L320 F321 E1110 | K189-L318 HydrophobicContact CD-CD2 4.44Å; K189-L318 HydrophobicContact CG-CD2 4Å; T190-L318 HydrophobicContact CG2-CD2 4.13Å; R298-L318 HydrophobicContact CB-CB 4.45Å; R298-L318 VanDerWaalsContact CB-O 3.3Å; R298-L318 WeakPolarHBondContact CB-O 3.23Å; R298-L318 WeakPolarHBondContact CD-O 3.5Å; R298-L318 VanDerWaalsContact CG-O 3.28Å; R298-L318 WeakPolarHBondContact CG-O 3.4Å; Y313-L318 HydrophobicContact CD2-CD1 4.13Å; A316-L318 VanDerWaalsContact C-N 3.33Å; A316-L318 PolarHBondContact O-N 3.48Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 PolarHBondContact O-N 3.47Å; L318-F321 PolarHBondContact O-N 2.77Å; L318-E1110 WeakPolarHBondContact CD2-O 3.4Å |
| 319 | K | 89.4 | Confident | 88.5 | Confident | 64 Ų | 64 | 42 Ų | 42 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.5 | -29.6 | 177.1 | -171.5 | 59.2 | 178.1 | 180 | 0 | 112.8 | E317 F321 E322 R1109 | E317-K319 PolarHBondContact O-N 3.39Å; E317-K319 VanDerWaalsContact O-N 3.15Å; K319-F321 PolarHBondContact O-N 3.34Å; K319-E322 VanDerWaalsContact CE-OE2 3.29Å; K319-E322 WeakPolarHBondContact CE-OE2 3.44Å; K319-E322 VanDerWaalsContact NZ-CD 3.33Å; K319-E322 IonicContact NZ-OE1 3.29Å; K319-E322 PolarHBondContact NZ-OE1 3.32Å; K319-E322 IonicContact NZ-OE2 3.24Å; K319-E322 PolarHBondContact NZ-OE2 3.14Å; K319-E322 WeakPolarHBondContact O-CB 3.49Å; K319-E322 PolarHBondContact O-N 2.88Å; K319-R1109 HydrophobicContact CB-CB 3.91Å; K319-R1109 HydrophobicContact CB-CG 4.46Å; K319-R1109 WeakPolarHBondContact CB-O 3.41Å; K319-R1109 HydrophobicContact CG-CB 4.4Å; K319-R1109 HydrophobicContact CG-CG 4.48Å; K319-R1109 PolarHBondContact N-O 3.18Å |
| 320 | L | 90.9 | Very high | 89 | Confident | 83 Ų | 83 | 37.3 Ų | 37.3 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69.3 | -26.3 | 177.6 | -54.1 | 176.9 | 0 | 0 | 0 | 111.1 | E317 L318 E322 I324 Y384 | E317-L320 HydrophobicContact CG-CD1 4.44Å; E317-L320 WeakPolarHBondContact O-CA 3.28Å; E317-L320 VanDerWaalsContact O-CB 3.22Å; E317-L320 WeakPolarHBondContact O-CB 3.14Å; E317-L320 PolarHBondContact O-N 3.39Å; L318-L320 VanDerWaalsContact C-N 3.26Å; L318-L320 PolarHBondContact O-N 3.47Å; L320-E322 VanDerWaalsContact C-N 3.3Å; L320-I324 WeakPolarHBondContact O-CD1 3.38Å; L320-Y384 PolarHBondContact O-OH 3.26Å |
| 321 | F | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80.3 | -14.1 | 179.8 | -50.3 | -40.2 | 0 | 0 | 0 | 113.4 | C303 K305 E306 Y313 E317 L318 K319 N323 I324 E325 | C303-F321 HydrophobicContact CB-CD1 4.12Å; K305-F321 HydrophobicContact CB-CD1 4.48Å; K305-F321 HydrophobicContact CB-CE1 4.36Å; E306-F321 HydrophobicContact CB-CE1 4.39Å; Y313-F321 HydrophobicContact CD1-CE2 4.34Å; Y313-F321 HydrophobicContact CD1-CZ 4.45Å; Y313-F321 AromaticContact CD2-CE2 3.95Å; Y313-F321 HydrophobicContact CD2-CE2 3.95Å; Y313-F321 HydrophobicContact CE1-CE2 4.26Å; Y313-F321 HydrophobicContact CE1-CZ 4.37Å; Y313-F321 HydrophobicContact CE2-CD2 4.42Å; Y313-F321 AromaticContact CE2-CE2 3.82Å; Y313-F321 HydrophobicContact CE2-CE2 3.82Å; Y313-F321 HydrophobicContact CG-CE2 4.17Å; Y313-F321 AromaticContact CZ-CE2 3.94Å; E317-F321 HydrophobicContact CB-CE2 4.02Å; E317-F321 HydrophobicContact CB-CZ 3.8Å; E317-F321 PolarHBondContact O-N 3.48Å; L318-F321 PolarHBondContact O-N 2.77Å; K319-F321 PolarHBondContact O-N 3.34Å; F321-N323 PolarHBondContact O-N 2.94Å; F321-I324 VanDerWaalsContact O-CG1 3.28Å; F321-I324 WeakPolarHBondContact O-CG1 3.39Å; F321-I324 PolarHBondContact O-N 3.47Å; F321-I324 VanDerWaalsContact O-N 3.16Å; F321-E325 WeakPolarHBondContact O-CG 3.44Å; F321-E325 PolarHBondContact O-N 3.32Å |
| 322 | E | 91.8 | Very high | 90.6 | Very high | 43 Ų | 43 | 29 Ų | 29 | 20% | 0.201 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 129.9 | -177.4 | -162.8 | 177.4 | -106.9 | 0 | 0 | 111.8 | R298 K319 L320 I324 Y384 | R298-E322 HydrophobicContact CG-CB 3.92Å; R298-E322 HydrophobicContact CG-CG 4.2Å; R298-E322 IonicContact CZ-OE1 2.76Å; R298-E322 VanDerWaalsContact CZ-OE1 3.29Å; R298-E322 IonicContact NE-OE1 3.95Å; R298-E322 PolarHBondContact NE-OE1 3.5Å; R298-E322 IonicContact NH2-OE1 2.95Å; R298-E322 PolarHBondContact NH2-OE1 2.63Å; K319-E322 VanDerWaalsContact CE-OE2 3.29Å; K319-E322 WeakPolarHBondContact CE-OE2 3.44Å; K319-E322 VanDerWaalsContact NZ-CD 3.33Å; K319-E322 IonicContact NZ-OE1 3.29Å; K319-E322 PolarHBondContact NZ-OE1 3.32Å; K319-E322 IonicContact NZ-OE2 3.24Å; K319-E322 PolarHBondContact NZ-OE2 3.14Å; K319-E322 WeakPolarHBondContact O-CB 3.49Å; K319-E322 PolarHBondContact O-N 2.88Å; L320-E322 VanDerWaalsContact C-N 3.3Å; E322-I324 PolarHBondContact O-N 3.38Å; E322-Y384 WeakPolarHBondContact O-CE1 3.38Å |
| 323 | N | 93.2 | Very high | 91.3 | Very high | 64 Ų | 64 | 25.7 Ų | 25.7 | 34% | 0.342 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | -1.6 | -177.4 | -49.2 | -51.1 | 0 | 0 | 0 | 115.9 | F321 E325 P387 | F321-N323 PolarHBondContact O-N 2.94Å; N323-E325 WeakPolarHBondContact CA-OE2 3.34Å; N323-E325 PolarHBondContact N-OE2 3.45Å; N323-P387 HydrophobicContact CB-CB 4.22Å; N323-P387 HydrophobicContact CB-CG 4.12Å |
| 324 | I | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 8.9 | 176.8 | 64 | 162.7 | 0 | 0 | 0 | 112.5 | P304 K305 L320 F321 E322 V375 V380 E383 Y384 | P304-I324 HydrophobicContact CG-CD1 4.06Å; K305-I324 HydrophobicContact CB-CD1 4.24Å; K305-I324 HydrophobicContact CG-CD1 3.78Å; L320-I324 WeakPolarHBondContact O-CD1 3.38Å; F321-I324 VanDerWaalsContact O-CG1 3.28Å; F321-I324 WeakPolarHBondContact O-CG1 3.39Å; F321-I324 PolarHBondContact O-N 3.47Å; F321-I324 VanDerWaalsContact O-N 3.16Å; E322-I324 PolarHBondContact O-N 3.38Å; I324-V375 HydrophobicContact CB-CG2 4.34Å; I324-V380 HydrophobicContact CD1-CG1 4.15Å; I324-V380 HydrophobicContact CG2-CG1 4.28Å; I324-E383 HydrophobicContact CG2-CB 4.22Å; I324-E383 HydrophobicContact CG2-CG 3.93Å; I324-Y384 HydrophobicContact CD1-CE1 4.29Å; I324-Y384 HydrophobicContact CG1-CE1 4.22Å; I324-Y384 HydrophobicContact CG2-CD1 3.94Å; I324-Y384 HydrophobicContact CG2-CE1 3.68Å |
| 325 | E | 95.8 | Very high | 92.7 | Very high | 16 Ų | 16 | 21.4 Ų | 21.4 | 8% | 0.075 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 141.6 | -179.5 | -59.3 | 92.9 | 152.9 | 0 | 0 | 111.1 | C294 R298 C303 F321 N323 R392 | C294-E325 HydrophobicContact CB-CB 4.05Å; R298-E325 WeakPolarHBondContact CA-OE1 3.37Å; R298-E325 PolarHBondContact N-OE1 2.84Å; C303-E325 VanDerWaalsContact SG-CA 3.59Å; F321-E325 WeakPolarHBondContact O-CG 3.44Å; F321-E325 PolarHBondContact O-N 3.32Å; N323-E325 WeakPolarHBondContact CA-OE2 3.34Å; N323-E325 PolarHBondContact N-OE2 3.45Å; E325-R392 VanDerWaalsContact O-CZ 3.27Å; E325-R392 PolarHBondContact O-NH1 3.14Å; E325-R392 PolarHBondContact O-NH2 3.48Å; E325-R392 VanDerWaalsContact O-NH2 3.12Å |
| 326 | C | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 139.6 | 179.1 | -68 | 0 | 0 | 0 | 0 | 112.2 | C294 Y301 H302 L372 Y373 | C294-C326 WeakPolarHBondContact CA-O 3.39Å; Y301-C326 PolarHBondContact O-SG 3.08Å; H302-C326 VanDerWaalsContact C-SG 3.5Å; H302-C326 PolarHBondContact O-SG 3.41Å; H302-C326 VanDerWaalsContact O-SG 3.41Å; C326-L372 HydrophobicContact CB-CB 4.32Å; C326-L372 HydrophobicContact CB-CD1 3.99Å; C326-L372 HydrophobicContact CB-CD2 4.29Å; C326-L372 HydrophobicContact CB-CG 4.44Å; C326-Y373 WeakPolarHBondContact CA-O 3.34Å |
| 327 | E | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | B | Isolated β-bridge | trans | -99.3 | 131.9 | -179.9 | -65.3 | 177 | -159.8 | 0 | 0 | 110.3 | R290 Y291 L372 Y373 R392 | R290-E327 PolarHBondContact N-OE2 2.78Å; Y291-E327 WeakPolarHBondContact CA-OE2 3.3Å; Y291-E327 WeakPolarHBondContact CB-OE2 3.12Å; Y291-E327 WeakPolarHBondContact CD2-OE2 3.48Å; Y291-E327 PolarHBondContact N-OE2 2.97Å; E327-L372 CarbonylContact O-C 3.19Å; E327-L372 WeakPolarHBondContact O-CA 3.42Å; E327-Y373 PolarHBondContact N-O 3.11Å; E327-Y373 PolarHBondContact O-N 3.38Å; E327-R392 IonicContact OE1-CZ 3.27Å; E327-R392 VanDerWaalsContact OE1-CZ 3.28Å; E327-R392 IonicContact OE1-NE 2.84Å; E327-R392 PolarHBondContact OE1-NE 2.85Å; E327-R392 IonicContact OE1-NH2 2.81Å; E327-R392 PolarHBondContact OE1-NH2 3.31Å |
| 328 | W | 98.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 15 Ų | 15 | 3% | 0.03 | 7% | 0.073 | C | C | . | . | B | Isolated β-bridge | trans | -112.1 | 114.3 | -172.7 | -72.4 | 63.3 | 0 | 0 | 0 | 111.3 | G292 C293 R295 Y301 V330 F331 E371 L372 | G292-W328 WeakPolarHBondContact CA-O 3.09Å; C293-W328 PolarHBondContact N-O 2.96Å; C293-W328 WeakPolarHBondContact O-CB 3.32Å; C293-W328 PolarHBondContact O-N 3.43Å; R295-W328 HydrophobicContact CG-CD2 4.28Å; R295-W328 HydrophobicContact CG-CG 4.27Å; R295-W328 HydrophobicContact CG-CZ2 4.43Å; Y301-W328 HydrophobicContact CD1-CH2 4.49Å; Y301-W328 AromaticContact CD1-CZ2 3.67Å; Y301-W328 HydrophobicContact CD1-CZ2 3.67Å; Y301-W328 AromaticContact CE1-CH2 3.93Å; Y301-W328 HydrophobicContact CE1-CH2 3.93Å; Y301-W328 AromaticContact CE1-CZ2 3.52Å; Y301-W328 HydrophobicContact CE1-CZ2 3.52Å; W328-V330 HydrophobicContact CB-CG1 4.21Å; W328-V330 HydrophobicContact CE3-CG1 4.2Å; W328-V330 PolarHBondContact O-N 3.23Å; W328-F331 HydrophobicContact CB-CD2 3.68Å; W328-F331 HydrophobicContact CB-CE2 3.6Å; W328-F331 HydrophobicContact CG-CE2 4.15Å; W328-F331 WeakPolarHBondContact O-CD2 3.47Å; W328-F331 PolarHBondContact O-N 3.21Å; W328-E371 HydrophobicContact CE3-CG 4.16Å; W328-E371 VanDerWaalsContact CE3-O 3.28Å; W328-E371 HydrophobicContact CH2-CG 3.59Å; W328-E371 WeakPolarHBondContact CH2-OE1 3.27Å; W328-E371 HydrophobicContact CZ2-CG 4.31Å; W328-E371 HydrophobicContact CZ3-CG 3.5Å; W328-L372 HydrophobicContact CD2-CB 4.11Å; W328-L372 HydrophobicContact CG-CB 4.13Å; W328-L372 HydrophobicContact CH2-CD2 4.49Å; W328-L372 HydrophobicContact CZ2-CD2 3.74Å |
| 329 | P | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.5 | -180 | -24.3 | 33 | 0 | 0 | 0 | 114.6 | Y291 F331 W332 L355 V358 L369 P370 Y373 | Y291-P329 WeakPolarHBondContact O-CG 3.43Å; P329-F331 PolarHBondContact O-N 2.98Å; P329-W332 PolarHBondContact O-N 3.22Å; P329-W332 VanDerWaalsContact O-N 3.11Å; P329-L355 HydrophobicContact CB-CD1 4.08Å; P329-V358 HydrophobicContact CB-CG2 4.23Å; P329-V358 HydrophobicContact CG-CG2 4.37Å; P329-L369 HydrophobicContact CB-CD1 3.82Å; P329-L369 HydrophobicContact CB-CG 4.36Å; P329-P370 HydrophobicContact CG-CG 4.28Å; P329-Y373 HydrophobicContact CG-CD2 3.72Å; P329-Y373 HydrophobicContact CG-CE2 3.68Å |
| 330 | V | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.012 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.1 | -31.4 | 179.8 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | W328 W332 T333 Y334 L406 | W328-V330 HydrophobicContact CB-CG1 4.21Å; W328-V330 HydrophobicContact CE3-CG1 4.2Å; W328-V330 PolarHBondContact O-N 3.23Å; V330-W332 VanDerWaalsContact C-N 3.3Å; V330-W332 PolarHBondContact O-N 2.97Å; V330-T333 WeakPolarHBondContact O-CA 3.23Å; V330-T333 WeakPolarHBondContact O-CB 3.5Å; V330-T333 PolarHBondContact O-N 3.1Å; V330-T333 PolarHBondContact O-OG1 3.01Å; V330-Y334 HydrophobicContact CG2-CD2 4.4Å; V330-Y334 HydrophobicContact CG2-CE2 4.11Å; V330-Y334 WeakPolarHBondContact O-CD2 3.41Å; V330-Y334 PolarHBondContact O-N 3.41Å; V330-L406 HydrophobicContact CG2-CD1 4.18Å |
| 331 | F | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.009 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -67.9 | -28.4 | 179.4 | -61.1 | -59.7 | 0 | 0 | 0 | 113.3 | W184 A257 L260 C293 R295 W328 P329 T333 Y334 L335 | W184-F331 HydrophobicContact CH2-CE1 4.34Å; W184-F331 AromaticContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CH2-CZ 3.77Å; W184-F331 HydrophobicContact CZ2-CE1 4.29Å; W184-F331 AromaticContact CZ2-CZ 3.73Å; W184-F331 HydrophobicContact CZ2-CZ 3.73Å; A257-F331 VanDerWaalsContact C-CE1 3.48Å; A257-F331 HydrophobicContact CB-CD1 3.67Å; A257-F331 HydrophobicContact CB-CD2 3.84Å; A257-F331 HydrophobicContact CB-CE1 3.51Å; A257-F331 HydrophobicContact CB-CE2 3.65Å; A257-F331 HydrophobicContact CB-CG 3.83Å; A257-F331 HydrophobicContact CB-CZ 3.5Å; A257-F331 VanDerWaalsContact CB-CZ 3.5Å; L260-F331 HydrophobicContact CD1-CB 4.02Å; L260-F331 HydrophobicContact CD1-CD1 4.11Å; L260-F331 HydrophobicContact CD1-CG 4.46Å; C293-F331 HydrophobicContact CB-CB 3.86Å; C293-F331 HydrophobicContact CB-CD2 3.64Å; C293-F331 HydrophobicContact CB-CE2 4.49Å; C293-F331 HydrophobicContact CB-CG 4.01Å; C293-F331 WeakPolarHBondContact O-CD2 3.41Å; R295-F331 HydrophobicContact CG-CE2 4.22Å; R295-F331 HydrophobicContact CG-CZ 4.29Å; W328-F331 HydrophobicContact CB-CD2 3.68Å; W328-F331 HydrophobicContact CB-CE2 3.6Å; W328-F331 HydrophobicContact CG-CE2 4.15Å; W328-F331 WeakPolarHBondContact O-CD2 3.47Å; W328-F331 PolarHBondContact O-N 3.21Å; P329-F331 PolarHBondContact O-N 2.98Å; F331-T333 VanDerWaalsContact C-N 3.29Å; F331-T333 PolarHBondContact O-N 3.22Å; F331-Y334 HydrophobicContact CD1-CD2 4.25Å; F331-Y334 WeakPolarHBondContact O-CB 3.41Å; F331-Y334 PolarHBondContact O-N 3.24Å; F331-L335 WeakPolarHBondContact O-CG 3.44Å; F331-L335 PolarHBondContact O-N 3.36Å |
| 332 | W | 98.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 15 Ų | 15 | 5% | 0.045 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.6 | -28.9 | 169.7 | -68.1 | -13.3 | 0 | 0 | 0 | 112.3 | R290 Y291 G292 P329 V330 Y334 L335 I336 Y351 A354 L355 V358 | R290-W332 WeakPolarHBondContact O-CH2 3.44Å; Y291-W332 VanDerWaalsContact C-CH2 3.48Å; G292-W332 VanDerWaalsContact N-CZ2 3.27Å; P329-W332 PolarHBondContact O-N 3.22Å; P329-W332 VanDerWaalsContact O-N 3.11Å; V330-W332 VanDerWaalsContact C-N 3.3Å; V330-W332 PolarHBondContact O-N 2.97Å; W332-Y334 VanDerWaalsContact C-N 3.34Å; W332-L335 PolarHBondContact O-N 3.14Å; W332-I336 VanDerWaalsContact O-CG1 3.26Å; W332-I336 WeakPolarHBondContact O-CG1 3.43Å; W332-I336 PolarHBondContact O-N 2.94Å; W332-Y351 HydrophobicContact CB-CD1 4.12Å; W332-Y351 AromaticContact CD1-CD1 3.49Å; W332-Y351 VanDerWaalsContact CD1-CD1 3.49Å; W332-Y351 AromaticContact CD1-CE1 3.55Å; W332-Y351 HydrophobicContact CD2-CD1 4.26Å; W332-Y351 AromaticContact CG-CD1 3.71Å; W332-Y351 HydrophobicContact CG-CD1 3.71Å; W332-Y351 HydrophobicContact CG-CE1 4.24Å; W332-Y351 AromaticContact NE1-CD1 3.88Å; W332-Y351 AromaticContact NE1-CE1 3.69Å; W332-A354 HydrophobicContact CD2-CB 4.35Å; W332-A354 HydrophobicContact CE3-CB 3.93Å; W332-A354 HydrophobicContact CH2-CB 3.83Å; W332-A354 HydrophobicContact CZ2-CB 4.28Å; W332-A354 HydrophobicContact CZ3-CB 3.66Å; W332-A354 WeakPolarHBondContact CZ3-O 3.42Å; W332-L355 HydrophobicContact CB-CD1 4.31Å; W332-L355 HydrophobicContact CE3-CB 4.47Å; W332-L355 HydrophobicContact CE3-CD1 4.11Å; W332-V358 HydrophobicContact CE3-CG2 4.26Å; W332-V358 HydrophobicContact CZ3-CG1 4.03Å; W332-V358 HydrophobicContact CZ3-CG2 3.88Å |
| 333 | T | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 171.8 | 74.4 | 0 | 0 | 0 | 0 | 111.6 | V330 F331 I336 L337 L355 L369 L406 | V330-T333 WeakPolarHBondContact O-CA 3.23Å; V330-T333 WeakPolarHBondContact O-CB 3.5Å; V330-T333 PolarHBondContact O-N 3.1Å; V330-T333 PolarHBondContact O-OG1 3.01Å; F331-T333 VanDerWaalsContact C-N 3.29Å; F331-T333 PolarHBondContact O-N 3.22Å; T333-I336 PolarHBondContact O-N 2.99Å; T333-L337 WeakPolarHBondContact O-CG 3.18Å; T333-L337 PolarHBondContact O-N 2.92Å; T333-L355 HydrophobicContact CG2-CD2 3.96Å; T333-L369 HydrophobicContact CG2-CD2 4.32Å; T333-L406 WeakPolarHBondContact OG1-CB 3.34Å |
| 334 | Y | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 2% | 0.02 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 171.4 | -78.3 | -75.6 | 0 | 0 | 0 | 112 | Y49 L260 F265 V330 F331 W332 I336 L337 D338 W402 L406 | Y49-Y334 VanDerWaalsContact CE1-OH 3.25Å; Y49-Y334 WeakPolarHBondContact CE1-OH 3.35Å; Y49-Y334 VanDerWaalsContact CZ-OH 3.27Å; Y49-Y334 PolarHBondContact OH-OH 2.9Å; L260-Y334 HydrophobicContact CB-CG 4.18Å; F265-Y334 WeakPolarHBondContact O-CD1 3.42Å; F265-Y334 WeakPolarHBondContact O-CE1 3.49Å; V330-Y334 HydrophobicContact CG2-CD2 4.4Å; V330-Y334 HydrophobicContact CG2-CE2 4.11Å; V330-Y334 WeakPolarHBondContact O-CD2 3.41Å; V330-Y334 PolarHBondContact O-N 3.41Å; F331-Y334 HydrophobicContact CD1-CD2 4.25Å; F331-Y334 WeakPolarHBondContact O-CB 3.41Å; F331-Y334 PolarHBondContact O-N 3.24Å; W332-Y334 VanDerWaalsContact C-N 3.34Å; Y334-I336 VanDerWaalsContact C-N 3.35Å; Y334-I336 PolarHBondContact O-N 3.03Å; Y334-L337 PolarHBondContact O-N 3.31Å; Y334-D338 WeakPolarHBondContact O-CB 3.42Å; Y334-D338 PolarHBondContact O-N 3.34Å; Y334-W402 HydrophobicContact CE2-CZ2 4.4Å; Y334-W402 VanDerWaalsContact OH-CZ2 3.28Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.46Å; Y334-W402 PolarHBondContact OH-NE1 3.05Å; Y334-L406 HydrophobicContact CD1-CD1 4.43Å; Y334-L406 HydrophobicContact CD2-CD1 4.15Å; Y334-L406 HydrophobicContact CE1-CD1 3.93Å; Y334-L406 HydrophobicContact CE2-CD1 3.62Å; Y334-L406 VanDerWaalsContact CZ-CD1 3.49Å |
| 335 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.3 | -32 | 177.9 | -65.4 | 169 | 0 | 0 | 0 | 112.8 | L260 K280 I284 F331 W332 G339 Q347 Y351 | L260-L335 HydrophobicContact CD1-CD2 4.33Å; L260-L335 HydrophobicContact CD1-CG 4.26Å; L260-L335 HydrophobicContact CD2-CD2 3.82Å; K280-L335 HydrophobicContact CD-CD2 4.24Å; K280-L335 HydrophobicContact CG-CD2 4.41Å; I284-L335 HydrophobicContact CD1-CD2 4.25Å; F331-L335 WeakPolarHBondContact O-CG 3.44Å; F331-L335 PolarHBondContact O-N 3.36Å; W332-L335 PolarHBondContact O-N 3.14Å; L335-G339 PolarHBondContact O-N 2.86Å; L335-Q347 PolarHBondContact O-NE2 2.83Å; L335-Y351 HydrophobicContact CB-CD1 4.46Å; L335-Y351 HydrophobicContact CB-CD2 3.62Å; L335-Y351 HydrophobicContact CB-CE2 3.69Å; L335-Y351 HydrophobicContact CB-CG 4.04Å; L335-Y351 HydrophobicContact CD1-CD1 4.22Å; L335-Y351 HydrophobicContact CD1-CD2 4.37Å; L335-Y351 HydrophobicContact CD1-CE1 3.61Å; L335-Y351 HydrophobicContact CD1-CE2 3.78Å; L335-Y351 WeakPolarHBondContact CD1-OH 3.47Å; L335-Y351 HydrophobicContact CG-CE2 4.22Å |
| 336 | I | 98.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.036 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -49.1 | 169.6 | -70.5 | 164.3 | 0 | 0 | 0 | 110.1 | W332 T333 Y334 D338 G339 I340 V348 R352 L355 | W332-I336 VanDerWaalsContact O-CG1 3.26Å; W332-I336 WeakPolarHBondContact O-CG1 3.43Å; W332-I336 PolarHBondContact O-N 2.94Å; T333-I336 PolarHBondContact O-N 2.99Å; Y334-I336 VanDerWaalsContact C-N 3.35Å; Y334-I336 PolarHBondContact O-N 3.03Å; I336-D338 VanDerWaalsContact C-N 3.35Å; I336-D338 PolarHBondContact O-N 3.43Å; I336-G339 PolarHBondContact O-N 3.06Å; I336-I340 HydrophobicContact CG2-CD1 3.87Å; I336-I340 VanDerWaalsContact O-CG1 3.31Å; I336-I340 WeakPolarHBondContact O-CG1 3.43Å; I336-I340 PolarHBondContact O-N 2.93Å; I336-V348 HydrophobicContact CG2-CG1 4.42Å; I336-R352 HydrophobicContact CD1-CG 3.83Å; I336-R352 HydrophobicContact CG1-CG 4.15Å; I336-R352 HydrophobicContact CG2-CG 4.45Å; I336-L355 HydrophobicContact CD1-CD2 3.97Å |
| 337 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 178.6 | -69 | 168.1 | 0 | 0 | 0 | 110.9 | F265 T333 Y334 G339 I340 F341 L406 V409 L413 | F265-L337 HydrophobicContact CB-CB 4.39Å; F265-L337 HydrophobicContact CD1-CD1 3.82Å; F265-L337 HydrophobicContact CE1-CD1 4.39Å; T333-L337 WeakPolarHBondContact O-CG 3.18Å; T333-L337 PolarHBondContact O-N 2.92Å; Y334-L337 PolarHBondContact O-N 3.31Å; L337-G339 VanDerWaalsContact C-N 3.32Å; L337-G339 PolarHBondContact O-N 3.36Å; L337-I340 WeakPolarHBondContact O-CB 3.46Å; L337-I340 PolarHBondContact O-N 2.96Å; L337-I340 VanDerWaalsContact O-N 3.08Å; L337-F341 VanDerWaalsContact O-CD2 3.23Å; L337-F341 WeakPolarHBondContact O-CD2 3.29Å; L337-F341 PolarHBondContact O-N 3.31Å; L337-L406 HydrophobicContact CD1-CB 4.33Å; L337-L406 HydrophobicContact CD1-CD2 4.04Å; L337-V409 HydrophobicContact CD2-CG1 4.17Å; L337-L413 HydrophobicContact CD2-CD1 3.6Å |
| 338 | D | 97.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.6 | -47.7 | 174.4 | -176.5 | 69.6 | 0 | 0 | 0 | 112.2 | S264 K280 Y334 I336 I340 F341 T342 Q347 | S264-D338 WeakPolarHBondContact CB-OD1 3.45Å; S264-D338 WeakPolarHBondContact OG-CA 3.1Å; S264-D338 WeakPolarHBondContact OG-CB 3.25Å; S264-D338 PolarHBondContact OG-OD1 2.83Å; K280-D338 WeakPolarHBondContact CD-OD2 3.36Å; K280-D338 IonicContact NZ-OD2 2.66Å; K280-D338 PolarHBondContact NZ-OD2 2.75Å; Y334-D338 WeakPolarHBondContact O-CB 3.42Å; Y334-D338 PolarHBondContact O-N 3.34Å; I336-D338 VanDerWaalsContact C-N 3.35Å; I336-D338 PolarHBondContact O-N 3.43Å; D338-I340 VanDerWaalsContact C-N 3.32Å; D338-I340 PolarHBondContact O-N 2.86Å; D338-F341 PolarHBondContact O-N 3.3Å; D338-T342 WeakPolarHBondContact O-CB 3.39Å; D338-T342 WeakPolarHBondContact O-CG2 3.36Å; D338-T342 PolarHBondContact O-N 3.1Å; D338-T342 PolarHBondContact O-OG1 3.35Å; D338-Q347 PolarHBondContact OD2-NE2 3.34Å |
| 339 | G | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L335 I336 L337 T342 G343 D344 Q347 V348 | L335-G339 PolarHBondContact O-N 2.86Å; I336-G339 PolarHBondContact O-N 3.06Å; L337-G339 VanDerWaalsContact C-N 3.32Å; L337-G339 PolarHBondContact O-N 3.36Å; G339-T342 WeakPolarHBondContact CA-OG1 3.43Å; G339-T342 PolarHBondContact O-OG1 3.28Å; G339-G343 CarbonylContact O-C 3.54Å; G339-G343 WeakPolarHBondContact O-CA 3.19Å; G339-G343 PolarHBondContact O-N 3.48Å; G339-D344 PolarHBondContact O-N 2.9Å; G339-Q347 VanDerWaalsContact N-NE2 3.12Å; G339-V348 VanDerWaalsContact C-CG2 3.43Å |
| 340 | I | 97.3 | Very high | 97.3 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.8 | -47.6 | 175.4 | -68.8 | 164.4 | 0 | 0 | 0 | 111.1 | I336 L337 D338 T342 G343 V348 L413 A414 P420 | I336-I340 HydrophobicContact CG2-CD1 3.87Å; I336-I340 VanDerWaalsContact O-CG1 3.31Å; I336-I340 WeakPolarHBondContact O-CG1 3.43Å; I336-I340 PolarHBondContact O-N 2.93Å; L337-I340 WeakPolarHBondContact O-CB 3.46Å; L337-I340 PolarHBondContact O-N 2.96Å; L337-I340 VanDerWaalsContact O-N 3.08Å; D338-I340 VanDerWaalsContact C-N 3.32Å; D338-I340 PolarHBondContact O-N 2.86Å; I340-T342 VanDerWaalsContact C-N 3.34Å; I340-G343 PolarHBondContact O-N 3.19Å; I340-V348 HydrophobicContact CG1-CG1 4.39Å; I340-V348 HydrophobicContact CG1-CG2 3.73Å; I340-L413 HydrophobicContact CD1-CB 3.87Å; I340-L413 HydrophobicContact CD1-CD1 4.37Å; I340-L413 HydrophobicContact CG2-CB 4.05Å; I340-L413 HydrophobicContact CG2-CD1 4.31Å; I340-A414 HydrophobicContact CD1-CB 4.21Å; I340-P420 HydrophobicContact CG2-CG 4.34Å |
| 341 | F | 95.9 | Very high | 97.3 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.9 | -31.2 | -177.5 | -82.8 | -81.1 | 0 | 0 | 0 | 112.8 | F265 F268 L337 D338 P420 I423 D424 R429 | F265-F341 HydrophobicContact CB-CD2 4.01Å; F265-F341 HydrophobicContact CB-CE2 3.68Å; F265-F341 HydrophobicContact CB-CZ 4.42Å; F265-F341 AromaticContact CD2-CE2 3.58Å; F265-F341 HydrophobicContact CD2-CE2 3.58Å; F265-F341 AromaticContact CD2-CZ 3.58Å; F265-F341 HydrophobicContact CD2-CZ 3.58Å; F265-F341 HydrophobicContact CE2-CE2 4.5Å; F265-F341 HydrophobicContact CE2-CZ 4.27Å; F265-F341 AromaticContact CG-CE2 3.81Å; F265-F341 HydrophobicContact CG-CE2 3.81Å; F265-F341 HydrophobicContact CG-CZ 4.29Å; F268-F341 HydrophobicContact CE1-CB 4.21Å; F268-F341 HydrophobicContact CE1-CD1 4.21Å; F268-F341 HydrophobicContact CE1-CD2 4.44Å; F268-F341 HydrophobicContact CE1-CG 4.06Å; F268-F341 HydrophobicContact CE2-CD1 4.49Å; F268-F341 HydrophobicContact CE2-CE1 4.25Å; F268-F341 HydrophobicContact CE2-CZ 4.42Å; F268-F341 HydrophobicContact CZ-CB 4.34Å; F268-F341 AromaticContact CZ-CD1 3.61Å; F268-F341 HydrophobicContact CZ-CD1 3.61Å; F268-F341 AromaticContact CZ-CD2 3.86Å; F268-F341 HydrophobicContact CZ-CD2 3.86Å; F268-F341 AromaticContact CZ-CE1 3.73Å; F268-F341 HydrophobicContact CZ-CE1 3.73Å; F268-F341 HydrophobicContact CZ-CE2 4.02Å; F268-F341 AromaticContact CZ-CG 3.68Å; F268-F341 HydrophobicContact CZ-CG 3.68Å; F268-F341 AromaticContact CZ-CZ 3.96Å; F268-F341 HydrophobicContact CZ-CZ 3.96Å; L337-F341 VanDerWaalsContact O-CD2 3.23Å; L337-F341 WeakPolarHBondContact O-CD2 3.29Å; L337-F341 PolarHBondContact O-N 3.31Å; D338-F341 PolarHBondContact O-N 3.3Å; F341-P420 HydrophobicContact CD1-CB 3.83Å; F341-P420 HydrophobicContact CE1-CB 3.59Å; F341-P420 HydrophobicContact CZ-CB 4.29Å; F341-I423 HydrophobicContact CE2-CD1 4.29Å; F341-I423 HydrophobicContact CZ-CD1 3.89Å; F341-I423 HydrophobicContact CZ-CG1 4.14Å; F341-D424 HydrophobicContact CE1-CB 4.32Å; F341-R429 HydrophobicContact CD1-CB 3.85Å; F341-R429 HydrophobicContact CD1-CG 4.43Å; F341-R429 HydrophobicContact CE1-CB 4.29Å |
| 342 | T | 94.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 41.4 Ų | 41.4 | 55% | 0.546 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -86.7 | -11.6 | 176.3 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | D338 G339 I340 D344 | D338-T342 WeakPolarHBondContact O-CB 3.39Å; D338-T342 WeakPolarHBondContact O-CG2 3.36Å; D338-T342 PolarHBondContact O-N 3.1Å; D338-T342 PolarHBondContact O-OG1 3.35Å; G339-T342 WeakPolarHBondContact CA-OG1 3.43Å; G339-T342 PolarHBondContact O-OG1 3.28Å; I340-T342 VanDerWaalsContact C-N 3.34Å; T342-D344 VanDerWaalsContact C-N 3.32Å |
| 343 | G | 95 | Very high | 97.2 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 46% | 0.464 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 14.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G339 I340 H345 | G339-G343 CarbonylContact O-C 3.54Å; G339-G343 WeakPolarHBondContact O-CA 3.19Å; G339-G343 PolarHBondContact O-N 3.48Å; I340-G343 PolarHBondContact O-N 3.19Å; G343-H345 PolarHBondContact O-N 3.45Å; G343-H345 VanDerWaalsContact O-N 3.14Å |
| 344 | D | 96.8 | Very high | 97.1 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | trans | -81.1 | 87 | 175.2 | -169.5 | -18.2 | 0 | 0 | 0 | 111.4 | G339 T342 V346 Q347 V348 | G339-D344 PolarHBondContact O-N 2.9Å; T342-D344 VanDerWaalsContact C-N 3.32Å; D344-V346 PolarHBondContact O-N 3.22Å; D344-V346 WeakPolarHBondContact OD1-CB 3.41Å; D344-V346 PolarHBondContact OD1-N 3.15Å; D344-Q347 HydrophobicContact CB-CB 4.01Å; D344-Q347 VanDerWaalsContact CG-CB 3.49Å; D344-Q347 PolarHBondContact O-N 2.75Å; D344-Q347 PolarHBondContact OD1-N 3.46Å; D344-V348 VanDerWaalsContact O-CG2 3.32Å; D344-V348 WeakPolarHBondContact O-CG2 3.37Å; D344-V348 PolarHBondContact O-N 3Å; D344-V348 VanDerWaalsContact O-N 3.15Å | ||
| 345 | H | 95.8 | Very high | 97 | Very high | 153 Ų | 153 | 48.1 Ų | 48.1 | 71% | 0.708 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.6 | -22.9 | 177.6 | -65 | -60.6 | 0 | 0 | 0 | 114.1 | G343 Q349 | G343-H345 PolarHBondContact O-N 3.45Å; G343-H345 VanDerWaalsContact O-N 3.14Å; H345-Q349 WeakPolarHBondContact O-CB 3.39Å; H345-Q349 PolarHBondContact O-N 3.42Å; H345-Q349 VanDerWaalsContact O-N 3.12Å |
| 346 | V | 97.8 | Very high | 96.9 | Very high | 109 Ų | 109 | 51.4 Ų | 51.4 | 66% | 0.661 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -73.2 | -50 | 179 | 179.1 | 0 | 0 | 0 | 0 | 109 | D344 V348 Q349 E350 | D344-V346 PolarHBondContact O-N 3.22Å; D344-V346 WeakPolarHBondContact OD1-CB 3.41Å; D344-V346 PolarHBondContact OD1-N 3.15Å; V346-V348 VanDerWaalsContact C-N 3.29Å; V346-V348 PolarHBondContact O-N 2.72Å; V346-Q349 PolarHBondContact O-N 3.46Å; V346-Q349 VanDerWaalsContact O-N 3.15Å; V346-E350 WeakPolarHBondContact O-CB 3.15Å; V346-E350 PolarHBondContact O-N 2.92Å |
| 347 | Q | 97.2 | Very high | 96.7 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.5 | -45.4 | 174.5 | -172.4 | 179.2 | -74.7 | 0 | 0 | 111.1 | L335 D338 G339 D344 Q349 E350 Y351 | L335-Q347 PolarHBondContact O-NE2 2.83Å; D338-Q347 PolarHBondContact OD2-NE2 3.34Å; G339-Q347 VanDerWaalsContact N-NE2 3.12Å; D344-Q347 HydrophobicContact CB-CB 4.01Å; D344-Q347 VanDerWaalsContact CG-CB 3.49Å; D344-Q347 PolarHBondContact O-N 2.75Å; D344-Q347 PolarHBondContact OD1-N 3.46Å; Q347-Q349 PolarHBondContact O-N 3.42Å; Q347-E350 PolarHBondContact O-N 3.44Å; Q347-Y351 HydrophobicContact CG-CD2 3.71Å; Q347-Y351 HydrophobicContact CG-CE2 3.69Å; Q347-Y351 VanDerWaalsContact O-CD2 3.29Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.34Å; Q347-Y351 PolarHBondContact O-N 3.28Å; Q347-Y351 VanDerWaalsContact O-N 3.1Å |
| 348 | V | 97.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | I336 G339 I340 D344 V346 R352 | I336-V348 HydrophobicContact CG2-CG1 4.42Å; G339-V348 VanDerWaalsContact C-CG2 3.43Å; I340-V348 HydrophobicContact CG1-CG1 4.39Å; I340-V348 HydrophobicContact CG1-CG2 3.73Å; D344-V348 VanDerWaalsContact O-CG2 3.32Å; D344-V348 WeakPolarHBondContact O-CG2 3.37Å; D344-V348 PolarHBondContact O-N 3Å; D344-V348 VanDerWaalsContact O-N 3.15Å; V346-V348 VanDerWaalsContact C-N 3.29Å; V346-V348 PolarHBondContact O-N 2.72Å; V348-R352 HydrophobicContact CG1-CG 4.38Å; V348-R352 VanDerWaalsContact O-CB 3.31Å; V348-R352 WeakPolarHBondContact O-CB 3.42Å; V348-R352 WeakPolarHBondContact O-CG 3.04Å; V348-R352 PolarHBondContact O-N 2.94Å |
| 349 | Q | 97.6 | Very high | 96.6 | Very high | 91 Ų | 91 | 55.4 Ų | 55.4 | 43% | 0.425 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.3 | -43.3 | -177.2 | -173.3 | 59.1 | 27 | 0 | 0 | 111.7 | H345 V346 Q347 Y351 R352 E353 | H345-Q349 WeakPolarHBondContact O-CB 3.39Å; H345-Q349 PolarHBondContact O-N 3.42Å; H345-Q349 VanDerWaalsContact O-N 3.12Å; V346-Q349 PolarHBondContact O-N 3.46Å; V346-Q349 VanDerWaalsContact O-N 3.15Å; Q347-Q349 PolarHBondContact O-N 3.42Å; Q349-Y351 PolarHBondContact O-N 2.78Å; Q349-R352 PolarHBondContact O-N 2.88Å; Q349-E353 PolarHBondContact NE2-OE1 3.28Å; Q349-E353 WeakPolarHBondContact O-CG 3.34Å; Q349-E353 PolarHBondContact O-N 3.3Å |
| 350 | E | 97.3 | Very high | 96.5 | Very high | 108 Ų | 108 | 57.8 Ų | 57.8 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.6 | -54.6 | 177.2 | 179 | 177.6 | -178.5 | 0 | 0 | 111.5 | V346 Q347 R352 E353 A354 | V346-E350 WeakPolarHBondContact O-CB 3.15Å; V346-E350 PolarHBondContact O-N 2.92Å; Q347-E350 PolarHBondContact O-N 3.44Å; E350-R352 PolarHBondContact O-N 3.39Å; E350-E353 PolarHBondContact O-N 3.36Å; E350-A354 PolarHBondContact O-N 3.18Å |
| 351 | Y | 98 | Very high | 96.3 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.3 | -26 | -178 | -72 | -65.2 | 0 | 0 | 0 | 113.1 | Q288 W332 L335 Q347 Q349 L355 | Q288-Y351 PolarHBondContact OE1-OH 2.98Å; W332-Y351 HydrophobicContact CB-CD1 4.12Å; W332-Y351 AromaticContact CD1-CD1 3.49Å; W332-Y351 VanDerWaalsContact CD1-CD1 3.49Å; W332-Y351 AromaticContact CD1-CE1 3.55Å; W332-Y351 HydrophobicContact CD2-CD1 4.26Å; W332-Y351 AromaticContact CG-CD1 3.71Å; W332-Y351 HydrophobicContact CG-CD1 3.71Å; W332-Y351 HydrophobicContact CG-CE1 4.24Å; W332-Y351 AromaticContact NE1-CD1 3.88Å; W332-Y351 AromaticContact NE1-CE1 3.69Å; L335-Y351 HydrophobicContact CB-CD1 4.46Å; L335-Y351 HydrophobicContact CB-CD2 3.62Å; L335-Y351 HydrophobicContact CB-CE2 3.69Å; L335-Y351 HydrophobicContact CB-CG 4.04Å; L335-Y351 HydrophobicContact CD1-CD1 4.22Å; L335-Y351 HydrophobicContact CD1-CD2 4.37Å; L335-Y351 HydrophobicContact CD1-CE1 3.61Å; L335-Y351 HydrophobicContact CD1-CE2 3.78Å; L335-Y351 WeakPolarHBondContact CD1-OH 3.47Å; L335-Y351 HydrophobicContact CG-CE2 4.22Å; Q347-Y351 HydrophobicContact CG-CD2 3.71Å; Q347-Y351 HydrophobicContact CG-CE2 3.69Å; Q347-Y351 VanDerWaalsContact O-CD2 3.29Å; Q347-Y351 WeakPolarHBondContact O-CD2 3.34Å; Q347-Y351 PolarHBondContact O-N 3.28Å; Q347-Y351 VanDerWaalsContact O-N 3.1Å; Q349-Y351 PolarHBondContact O-N 2.78Å; Y351-L355 WeakPolarHBondContact O-CB 3.28Å; Y351-L355 PolarHBondContact O-N 3.19Å |
| 352 | R | 97.1 | Very high | 95.8 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 171.1 | -78.3 | -179.8 | 82.1 | -176.8 | 11.2 | 112 | I336 V348 Q349 E350 E356 | I336-R352 HydrophobicContact CD1-CG 3.83Å; I336-R352 HydrophobicContact CG1-CG 4.15Å; I336-R352 HydrophobicContact CG2-CG 4.45Å; V348-R352 HydrophobicContact CG1-CG 4.38Å; V348-R352 VanDerWaalsContact O-CB 3.31Å; V348-R352 WeakPolarHBondContact O-CB 3.42Å; V348-R352 WeakPolarHBondContact O-CG 3.04Å; V348-R352 PolarHBondContact O-N 2.94Å; Q349-R352 PolarHBondContact O-N 2.88Å; E350-R352 PolarHBondContact O-N 3.39Å; R352-E356 WeakPolarHBondContact O-CB 3.39Å; R352-E356 PolarHBondContact O-N 2.88Å |
| 353 | E | 97.1 | Very high | 95.2 | Very high | 124 Ų | 124 | 68.8 Ų | 68.8 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.5 | -44.9 | 175.9 | -72.9 | 176.7 | -171.2 | 0 | 0 | 111.1 | Q349 E350 L355 E356 G357 | Q349-E353 PolarHBondContact NE2-OE1 3.28Å; Q349-E353 WeakPolarHBondContact O-CG 3.34Å; Q349-E353 PolarHBondContact O-N 3.3Å; E350-E353 PolarHBondContact O-N 3.36Å; E353-L355 PolarHBondContact O-N 3.09Å; E353-E356 PolarHBondContact O-N 2.92Å; E353-G357 PolarHBondContact O-N 2.93Å |
| 354 | A | 97 | Very high | 94.5 | Very high | 33 Ų | 33 | 73.7 Ų | 73.7 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W332 E350 E356 G357 | W332-A354 HydrophobicContact CD2-CB 4.35Å; W332-A354 HydrophobicContact CE3-CB 3.93Å; W332-A354 HydrophobicContact CH2-CB 3.83Å; W332-A354 HydrophobicContact CZ2-CB 4.28Å; W332-A354 HydrophobicContact CZ3-CB 3.66Å; W332-A354 WeakPolarHBondContact CZ3-O 3.42Å; E350-A354 PolarHBondContact O-N 3.18Å; A354-E356 PolarHBondContact O-N 3.25Å; A354-G357 PolarHBondContact O-N 3.27Å; A354-G357 VanDerWaalsContact O-N 3.13Å |
| 355 | L | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 179.5 | -163.2 | 67.7 | 0 | 0 | 0 | 112.1 | P329 W332 T333 I336 Y351 E353 G357 V358 L359 L369 Y407 | P329-L355 HydrophobicContact CB-CD1 4.08Å; W332-L355 HydrophobicContact CB-CD1 4.31Å; W332-L355 HydrophobicContact CE3-CB 4.47Å; W332-L355 HydrophobicContact CE3-CD1 4.11Å; T333-L355 HydrophobicContact CG2-CD2 3.96Å; I336-L355 HydrophobicContact CD1-CD2 3.97Å; Y351-L355 WeakPolarHBondContact O-CB 3.28Å; Y351-L355 PolarHBondContact O-N 3.19Å; E353-L355 PolarHBondContact O-N 3.09Å; L355-G357 PolarHBondContact O-N 3.21Å; L355-V358 HydrophobicContact CD1-CG2 4.1Å; L355-V358 WeakPolarHBondContact O-CG2 3.43Å; L355-V358 PolarHBondContact O-N 3.08Å; L355-L359 HydrophobicContact CG-CD1 4.39Å; L355-L359 HydrophobicContact CG-CG 4.35Å; L355-L359 VanDerWaalsContact O-CG 3.32Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.16Å; L355-L369 HydrophobicContact CD1-CD1 3.61Å; L355-L369 HydrophobicContact CG-CD1 4.27Å; L355-Y407 HydrophobicContact CD2-CD2 3.45Å; L355-Y407 VanDerWaalsContact CD2-CD2 3.45Å; L355-Y407 HydrophobicContact CD2-CE2 3.89Å; L355-Y407 HydrophobicContact CD2-CG 4.43Å |
| 356 | E | 95.3 | Very high | 93.6 | Very high | 70 Ų | 70 | 66.7 Ų | 66.7 | 33% | 0.327 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -32.2 | 175.9 | -172.6 | 65.1 | -165.2 | 0 | 0 | 112.4 | R352 E353 A354 V358 R361 K367 | R352-E356 WeakPolarHBondContact O-CB 3.39Å; R352-E356 PolarHBondContact O-N 2.88Å; E353-E356 PolarHBondContact O-N 2.92Å; A354-E356 PolarHBondContact O-N 3.25Å; E356-V358 VanDerWaalsContact C-N 3.27Å; E356-V358 PolarHBondContact O-N 3Å; E356-R361 IonicContact OE1-NH2 3.68Å; E356-R361 PolarHBondContact OE1-NH2 3.42Å; E356-K367 WeakPolarHBondContact OE1-CE 3.26Å; E356-K367 IonicContact OE1-NZ 3.81Å; E356-K367 PolarHBondContact OE1-NZ 3.3Å; E356-K367 WeakPolarHBondContact OE2-CE 3.45Å; E356-K367 IonicContact OE2-NZ 3.86Å; E356-K367 PolarHBondContact OE2-NZ 3.09Å |
| 357 | G | 94.8 | Very high | 93.4 | Very high | 68 Ų | 68 | 64.3 Ų | 64.3 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.1 | -21.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E353 A354 L355 | E353-G357 PolarHBondContact O-N 2.93Å; A354-G357 PolarHBondContact O-N 3.27Å; A354-G357 VanDerWaalsContact O-N 3.13Å; L355-G357 PolarHBondContact O-N 3.21Å |
| 358 | V | 96.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 6% | 0.055 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -115.1 | -3.1 | -176.6 | -55.2 | 0 | 0 | 0 | 0 | 113.7 | Y291 P329 W332 L355 E356 Y373 | Y291-V358 HydrophobicContact CD1-CG1 3.69Å; Y291-V358 HydrophobicContact CE1-CG1 4.49Å; Y291-V358 HydrophobicContact CG-CG1 4.39Å; P329-V358 HydrophobicContact CB-CG2 4.23Å; P329-V358 HydrophobicContact CG-CG2 4.37Å; W332-V358 HydrophobicContact CE3-CG2 4.26Å; W332-V358 HydrophobicContact CZ3-CG1 4.03Å; W332-V358 HydrophobicContact CZ3-CG2 3.88Å; L355-V358 HydrophobicContact CD1-CG2 4.1Å; L355-V358 WeakPolarHBondContact O-CG2 3.43Å; L355-V358 PolarHBondContact O-N 3.08Å; E356-V358 VanDerWaalsContact C-N 3.27Å; E356-V358 PolarHBondContact O-N 3Å; V358-Y373 HydrophobicContact CB-CE2 3.94Å; V358-Y373 PolarHBondContact O-OH 2.97Å |
| 359 | L | 96.4 | Very high | 93.2 | Very high | 19 Ų | 19 | 64.2 Ų | 64.2 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | trans | -71.7 | 135.1 | 175.1 | -74.9 | 167.2 | 0 | 0 | 0 | 111.5 | L355 K367 L369 Y407 | L355-L359 HydrophobicContact CG-CD1 4.39Å; L355-L359 HydrophobicContact CG-CG 4.35Å; L355-L359 VanDerWaalsContact O-CG 3.32Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.16Å; L359-K367 HydrophobicContact CB-CB 4.38Å; L359-K367 HydrophobicContact CD1-CB 4.19Å; L359-K367 HydrophobicContact CD1-CD 4.05Å; L359-L369 HydrophobicContact CD2-CB 4Å; L359-L369 HydrophobicContact CD2-CD1 3.61Å; L359-L369 HydrophobicContact CD2-CG 4.43Å; L359-Y407 HydrophobicContact CD1-CE1 4.44Å; L359-Y407 HydrophobicContact CD1-CE2 3.83Å | ||
| 360 | I | 95.4 | Very high | 93.1 | Very high | 51 Ų | 51 | 60 Ų | 60 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 131.6 | 177.4 | -61.2 | 175.4 | 0 | 0 | 0 | 109.6 | G362 L368 P370 A394 L398 | I360-G362 PolarHBondContact O-N 3.11Å; I360-L368 PolarHBondContact N-O 2.98Å; I360-L368 PolarHBondContact O-N 3.26Å; I360-P370 HydrophobicContact CD1-CB 4.12Å; I360-P370 HydrophobicContact CD1-CG 4.24Å; I360-A394 HydrophobicContact CD1-CB 3.62Å; I360-L398 HydrophobicContact CB-CD1 4.28Å; I360-L398 HydrophobicContact CB-CD2 4.45Å; I360-L398 HydrophobicContact CD1-CD1 3.9Å; I360-L398 HydrophobicContact CD1-CD2 3.83Å; I360-L398 HydrophobicContact CG2-CD2 4.13Å |
| 361 | R | 93 | Very high | 93.1 | Very high | 168 Ų | 168 | 55.2 Ų | 55.2 | 63% | 0.634 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 108.3 | 176.3 | -65.6 | -178.4 | -178 | -104.4 | -5 | 110.4 | E356 I366 | E356-R361 IonicContact OE1-NH2 3.68Å; E356-R361 PolarHBondContact OE1-NH2 3.42Å; R361-I366 CarbonylContact C-O 3.59Å |
| 362 | G | 86.1 | Confident | 93 | Very high | 25 Ų | 25 | 54.7 Ų | 54.7 | 26% | 0.258 | 29% | 0.293 | S | S | . | . | trans | -77.4 | -169.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I360 G365 I366 | I360-G362 PolarHBondContact O-N 3.11Å; G362-G365 PolarHBondContact O-N 3.41Å; G362-I366 PolarHBondContact N-O 3.06Å | ||
| 363 | K | 81.3 | Confident | 93 | Very high | 187 Ų | 187 | 51.8 Ų | 51.8 | 81% | 0.813 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -59.3 | 147.4 | 174.3 | -64.4 | -179.3 | -176.8 | 175.7 | 0 | 109.9 | G365 I366 | K363-G365 PolarHBondContact O-N 2.89Å; K363-G365 VanDerWaalsContact O-N 3.08Å; K363-I366 PolarHBondContact O-N 3.24Å |
| 364 | N | 80.1 | Confident | 93.1 | Very high | 147 Ų | 147 | 46.2 Ų | 46.2 | 79% | 0.786 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | 60.1 | 15.4 | -178.8 | -51.9 | -25.9 | 0 | 0 | 0 | 115.1 | ||
| 365 | G | 85 | Confident | 93.1 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 49% | 0.485 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | 80.2 | 13.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G362 K363 | G362-G365 PolarHBondContact O-N 3.41Å; K363-G365 PolarHBondContact O-N 2.89Å; K363-G365 VanDerWaalsContact O-N 3.08Å |
| 366 | I | 89.7 | Confident | 93.1 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | trans | -65.6 | 134.4 | 175.9 | -71.1 | 176.8 | 0 | 0 | 0 | 110.4 | L17 E20 T21 R361 G362 K363 L368 | L17-I366 HydrophobicContact CD1-CG2 3.51Å; E20-I366 HydrophobicContact CB-CD1 3.91Å; E20-I366 VanDerWaalsContact CD-CD1 3.42Å; E20-I366 HydrophobicContact CG-CD1 4.22Å; E20-I366 WeakPolarHBondContact OE2-CD1 3.43Å; T21-I366 HydrophobicContact CG2-CG2 4.14Å; R361-I366 CarbonylContact C-O 3.59Å; G362-I366 PolarHBondContact N-O 3.06Å; K363-I366 PolarHBondContact O-N 3.24Å; I366-L368 HydrophobicContact CG2-CD2 3.67Å; I366-L368 HydrophobicContact CG2-CG 4.26Å | ||
| 367 | K | 92.8 | Very high | 93 | Very high | 60 Ų | 60 | 48 Ų | 48 | 26% | 0.261 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121.1 | 176.1 | -62.3 | 179 | -178.3 | -178.2 | 0 | 109.7 | E356 L359 Q404 | E356-K367 WeakPolarHBondContact OE1-CE 3.26Å; E356-K367 IonicContact OE1-NZ 3.81Å; E356-K367 PolarHBondContact OE1-NZ 3.3Å; E356-K367 WeakPolarHBondContact OE2-CE 3.45Å; E356-K367 IonicContact OE2-NZ 3.86Å; E356-K367 PolarHBondContact OE2-NZ 3.09Å; L359-K367 HydrophobicContact CB-CB 4.38Å; L359-K367 HydrophobicContact CD1-CB 4.19Å; L359-K367 HydrophobicContact CD1-CD 4.05Å; K367-Q404 PolarHBondContact O-NE2 2.67Å; K367-Q404 VanDerWaalsContact O-NE2 3.14Å |
| 368 | L | 95.3 | Very high | 93 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.2 | -177.6 | -57.4 | 175.7 | 0 | 0 | 0 | 109.3 | T21 I360 I366 L398 P399 | T21-L368 HydrophobicContact CG2-CD2 3.7Å; I360-L368 PolarHBondContact N-O 2.98Å; I360-L368 PolarHBondContact O-N 3.26Å; I366-L368 HydrophobicContact CG2-CD2 3.67Å; I366-L368 HydrophobicContact CG2-CG 4.26Å; L368-L398 HydrophobicContact CB-CD1 3.64Å; L368-L398 HydrophobicContact CB-CG 4.27Å; L368-L398 HydrophobicContact CD1-CG 4.26Å; L368-P399 HydrophobicContact CB-CB 4.45Å; L368-P399 HydrophobicContact CD2-CB 4.09Å; L368-P399 HydrophobicContact CD2-CG 4.19Å |
| 369 | L | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -84.5 | 120.1 | 172.9 | -166.4 | 82.3 | 0 | 0 | 0 | 109.8 | P329 T333 L355 L359 P399 H400 G403 | P329-L369 HydrophobicContact CB-CD1 3.82Å; P329-L369 HydrophobicContact CB-CG 4.36Å; T333-L369 HydrophobicContact CG2-CD2 4.32Å; L355-L369 HydrophobicContact CD1-CD1 3.61Å; L355-L369 HydrophobicContact CG-CD1 4.27Å; L359-L369 HydrophobicContact CD2-CB 4Å; L359-L369 HydrophobicContact CD2-CD1 3.61Å; L359-L369 HydrophobicContact CD2-CG 4.43Å; L369-P399 WeakPolarHBondContact O-CA 3.47Å; L369-H400 PolarHBondContact O-N 3.48Å; L369-G403 VanDerWaalsContact CD2-CA 3.44Å; L369-G403 WeakPolarHBondContact CD2-O 3.32Å | ||
| 370 | P | 95.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | trans | -73.3 | 160.4 | 172.5 | 30.2 | -32.5 | 0 | 0 | 0 | 111.7 | P329 I360 Y373 A394 L398 | P329-P370 HydrophobicContact CG-CG 4.28Å; I360-P370 HydrophobicContact CD1-CB 4.12Å; I360-P370 HydrophobicContact CD1-CG 4.24Å; P370-Y373 HydrophobicContact CG-CD2 4.31Å; P370-Y373 HydrophobicContact CG-CE2 3.43Å; P370-Y373 VanDerWaalsContact CG-CE2 3.43Å; P370-A394 HydrophobicContact CB-CB 4.16Å; P370-A394 HydrophobicContact CG-CB 4.44Å; P370-L398 HydrophobicContact CB-CD1 4.07Å | ||
| 371 | E | 95.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -62.7 | -52.1 | 173.1 | -173.7 | 177.1 | 178 | 0 | 0 | 111 | Y301 W328 G396 Q397 H400 | Y301-E371 PolarHBondContact OH-OE1 3.43Å; Y301-E371 VanDerWaalsContact OH-OE1 3.1Å; W328-E371 HydrophobicContact CE3-CG 4.16Å; W328-E371 VanDerWaalsContact CE3-O 3.28Å; W328-E371 HydrophobicContact CH2-CG 3.59Å; W328-E371 WeakPolarHBondContact CH2-OE1 3.27Å; W328-E371 HydrophobicContact CZ2-CG 4.31Å; W328-E371 HydrophobicContact CZ3-CG 3.5Å; E371-G396 VanDerWaalsContact OE2-CA 3.32Å; E371-G396 WeakPolarHBondContact OE2-CA 3.35Å; E371-Q397 HydrophobicContact CB-CB 4.18Å; E371-Q397 PolarHBondContact N-O 3.39Å; E371-Q397 VanDerWaalsContact OE2-CG 3.27Å; E371-Q397 WeakPolarHBondContact OE2-CG 3.48Å; E371-Q397 PolarHBondContact OE2-N 2.98Å; E371-H400 HydrophobicContact CB-CB 4.08Å |
| 372 | L | 97 | Very high | 93 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 169.5 | -174.6 | 61 | 84.5 | 0 | 0 | 0 | 114 | Y301 H302 C326 E327 W328 A374 A394 M395 | Y301-L372 HydrophobicContact CD1-CD2 4.02Å; Y301-L372 HydrophobicContact CE1-CD2 3.9Å; H302-L372 HydrophobicContact CB-CD1 4.18Å; H302-L372 HydrophobicContact CB-CD2 4Å; C326-L372 HydrophobicContact CB-CB 4.32Å; C326-L372 HydrophobicContact CB-CD1 3.99Å; C326-L372 HydrophobicContact CB-CD2 4.29Å; C326-L372 HydrophobicContact CB-CG 4.44Å; E327-L372 CarbonylContact O-C 3.19Å; E327-L372 WeakPolarHBondContact O-CA 3.42Å; W328-L372 HydrophobicContact CD2-CB 4.11Å; W328-L372 HydrophobicContact CG-CB 4.13Å; W328-L372 HydrophobicContact CH2-CD2 4.49Å; W328-L372 HydrophobicContact CZ2-CD2 3.74Å; L372-A374 HydrophobicContact CD1-CB 4.24Å; L372-A394 WeakPolarHBondContact O-CA 3.5Å; L372-M395 HydrophobicContact CD1-CB 3.62Å; L372-M395 PolarHBondContact N-O 2.9Å; L372-M395 PolarHBondContact O-N 2.89Å |
| 373 | Y | 97.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122 | 173.9 | -79.8 | -92.1 | 0 | 0 | 0 | 111.6 | Y291 C326 E327 P329 V358 P370 R392 M393 A394 | Y291-Y373 AromaticContact CD1-CD1 3.49Å; Y291-Y373 HydrophobicContact CD1-CD1 3.49Å; Y291-Y373 VanDerWaalsContact CD1-CD1 3.49Å; Y291-Y373 HydrophobicContact CD1-CD2 4.13Å; Y291-Y373 AromaticContact CD1-CE1 3.73Å; Y291-Y373 HydrophobicContact CD1-CE1 3.73Å; Y291-Y373 HydrophobicContact CD1-CE2 4.33Å; Y291-Y373 AromaticContact CD1-CG 3.73Å; Y291-Y373 HydrophobicContact CD1-CG 3.73Å; Y291-Y373 AromaticContact CE1-CD1 3.92Å; Y291-Y373 HydrophobicContact CE1-CD1 3.92Å; Y291-Y373 HydrophobicContact CE1-CE1 4.05Å; Y291-Y373 HydrophobicContact CG-CD1 4.05Å; Y291-Y373 HydrophobicContact CG-CD2 4.3Å; Y291-Y373 AromaticContact CG-CG 3.86Å; Y291-Y373 HydrophobicContact CG-CG 3.86Å; C326-Y373 WeakPolarHBondContact CA-O 3.34Å; E327-Y373 PolarHBondContact N-O 3.11Å; E327-Y373 PolarHBondContact O-N 3.38Å; P329-Y373 HydrophobicContact CG-CD2 3.72Å; P329-Y373 HydrophobicContact CG-CE2 3.68Å; V358-Y373 HydrophobicContact CB-CE2 3.94Å; V358-Y373 PolarHBondContact O-OH 2.97Å; P370-Y373 HydrophobicContact CG-CD2 4.31Å; P370-Y373 HydrophobicContact CG-CE2 3.43Å; P370-Y373 VanDerWaalsContact CG-CE2 3.43Å; Y373-R392 HydrophobicContact CD1-CB 4.29Å; Y373-R392 PolarHBondContact O-NH1 3.37Å; Y373-M393 WeakPolarHBondContact CA-O 3.43Å; Y373-A394 HydrophobicContact CD1-CB 4.3Å; Y373-A394 HydrophobicContact CE1-CB 3.8Å |
| 374 | A | 97.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 149.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L372 R392 M393 M395 | L372-A374 HydrophobicContact CD1-CB 4.24Å; A374-R392 CarbonylContact O-C 3.57Å; A374-R392 WeakPolarHBondContact O-CA 3.49Å; A374-R392 WeakPolarHBondContact O-CB 3.33Å; A374-M393 PolarHBondContact N-O 3.2Å; A374-M393 PolarHBondContact O-N 3.45Å; A374-M395 HydrophobicContact CB-CB 4.44Å; A374-M395 HydrophobicContact CB-CG 4.11Å |
| 375 | V | 97.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | trans | -68.2 | 133.7 | 172.9 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | P304 I324 V380 E383 V390 R392 | P304-V375 HydrophobicContact CG-CB 4.22Å; I324-V375 HydrophobicContact CB-CG2 4.34Å; V375-V380 HydrophobicContact CG1-CG2 4.34Å; V375-E383 HydrophobicContact CG1-CB 4.16Å; V375-E383 HydrophobicContact CG2-CG 4.13Å; V375-V390 HydrophobicContact CG1-CG1 4.14Å; V375-R392 HydrophobicContact CG2-CG 4.31Å | ||
| 376 | P | 96.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | trans | -58.6 | 137.9 | 172.7 | -21.8 | 31.8 | 0 | 0 | 0 | 112.5 | D378 K379 V380 V390 D391 M393 | P376-D378 VanDerWaalsContact CB-OD1 3.23Å; P376-D378 WeakPolarHBondContact CB-OD1 3.34Å; P376-D378 PolarHBondContact O-N 2.78Å; P376-D378 VanDerWaalsContact O-N 3.17Å; P376-K379 HydrophobicContact CB-CB 4.34Å; P376-K379 HydrophobicContact CB-CG 4.31Å; P376-K379 HydrophobicContact CG-CD 4.34Å; P376-K379 PolarHBondContact O-N 3.3Å; P376-V380 PolarHBondContact O-N 3.16Å; P376-V390 HydrophobicContact CG-CG1 4.42Å; P376-D391 WeakPolarHBondContact CD-O 3.32Å; P376-M393 HydrophobicContact CB-CE 3.69Å; P376-M393 HydrophobicContact CB-SD 4.42Å; P376-M393 HydrophobicContact CG-CE 3.8Å; P376-M393 HydrophobicContact CG-CG 4.1Å; P376-M393 HydrophobicContact CG-SD 4.13Å | ||
| 377 | L | 93.4 | Very high | 95.2 | Very high | 128 Ų | 128 | 48 Ų | 48 | 67% | 0.67 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -56.8 | -35.1 | -176.1 | -175.6 | 66.8 | 0 | 0 | 0 | 113 | P304 K379 | P304-L377 HydrophobicContact CB-CD1 3.87Å; P304-L377 WeakPolarHBondContact O-CD1 3.48Å; L377-K379 VanDerWaalsContact C-N 3.29Å; L377-K379 PolarHBondContact O-N 3.42Å |
| 378 | D | 95.4 | Very high | 95.1 | Very high | 137 Ų | 137 | 49.6 Ų | 49.6 | 73% | 0.733 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -76.4 | -11.1 | 179.7 | 60.5 | -50.3 | 0 | 0 | 0 | 114.1 | P376 | P376-D378 VanDerWaalsContact CB-OD1 3.23Å; P376-D378 WeakPolarHBondContact CB-OD1 3.34Å; P376-D378 PolarHBondContact O-N 2.78Å; P376-D378 VanDerWaalsContact O-N 3.17Å |
| 379 | K | 95.9 | Very high | 95 | Very high | 80 Ų | 80 | 50.4 Ų | 50.4 | 35% | 0.348 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -116 | 8.8 | -176.2 | -61.9 | -168.3 | 178.6 | -174 | 0 | 114.5 | P376 L377 E381 E382 E383 V390 | P376-K379 HydrophobicContact CB-CB 4.34Å; P376-K379 HydrophobicContact CB-CG 4.31Å; P376-K379 HydrophobicContact CG-CD 4.34Å; P376-K379 PolarHBondContact O-N 3.3Å; L377-K379 VanDerWaalsContact C-N 3.29Å; L377-K379 PolarHBondContact O-N 3.42Å; K379-E381 VanDerWaalsContact C-N 3.32Å; K379-E381 PolarHBondContact O-N 3.05Å; K379-E382 WeakPolarHBondContact O-CB 3.29Å; K379-E382 PolarHBondContact O-N 3.49Å; K379-E383 PolarHBondContact O-N 3.36Å; K379-E383 VanDerWaalsContact O-N 3.15Å; K379-V390 HydrophobicContact CB-CG1 3.7Å; K379-V390 HydrophobicContact CB-CG2 4.14Å; K379-V390 HydrophobicContact CD-CG1 3.64Å; K379-V390 HydrophobicContact CG-CG1 4.35Å |
| 380 | V | 94.7 | Very high | 95 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | -177.9 | 175.2 | 0 | 0 | 0 | 0 | 112.5 | P304 K305 I324 V375 P376 E382 E383 Y384 | P304-V380 HydrophobicContact CB-CG2 3.7Å; P304-V380 HydrophobicContact CG-CG2 3.38Å; K305-V380 HydrophobicContact CD-CG1 4.42Å; K305-V380 HydrophobicContact CG-CG1 4.26Å; I324-V380 HydrophobicContact CD1-CG1 4.15Å; I324-V380 HydrophobicContact CG2-CG1 4.28Å; V375-V380 HydrophobicContact CG1-CG2 4.34Å; P376-V380 PolarHBondContact O-N 3.16Å; V380-E382 VanDerWaalsContact C-N 3.28Å; V380-E382 PolarHBondContact O-N 3.46Å; V380-E383 PolarHBondContact O-N 2.95Å; V380-Y384 HydrophobicContact CG1-CD2 3.93Å; V380-Y384 HydrophobicContact CG1-CE2 3.42Å; V380-Y384 VanDerWaalsContact CG1-CE2 3.42Å; V380-Y384 WeakPolarHBondContact O-CD2 3.49Å; V380-Y384 PolarHBondContact O-N 3.22Å |
| 381 | E | 95.7 | Very high | 95 | Very high | 130 Ų | 130 | 55.1 Ų | 55.1 | 61% | 0.607 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.5 | -28.8 | -179.2 | -53.8 | -57.7 | 138.8 | 0 | 0 | 112.3 | K305 K379 G385 | K305-E381 IonicContact NZ-OE1 2.97Å; K305-E381 PolarHBondContact NZ-OE1 2.94Å; K379-E381 VanDerWaalsContact C-N 3.32Å; K379-E381 PolarHBondContact O-N 3.05Å; E381-G385 PolarHBondContact O-N 3.22Å |
| 382 | E | 95.1 | Very high | 95 | Very high | 110 Ų | 110 | 55.4 Ų | 55.4 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.1 | -45 | 173 | -175.7 | 179.6 | 179.3 | 0 | 0 | 110.7 | K379 V380 Y384 G385 N386 V390 | K379-E382 WeakPolarHBondContact O-CB 3.29Å; K379-E382 PolarHBondContact O-N 3.49Å; V380-E382 VanDerWaalsContact C-N 3.28Å; V380-E382 PolarHBondContact O-N 3.46Å; E382-Y384 PolarHBondContact O-N 2.95Å; E382-G385 PolarHBondContact O-N 3.12Å; E382-N386 PolarHBondContact O-N 3.36Å; E382-V390 HydrophobicContact CB-CG2 3.94Å; E382-V390 HydrophobicContact CG-CG2 3.82Å |
| 383 | E | 95 | Very high | 95 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65 | -38.2 | 177.9 | -172 | 69.6 | 177.4 | 0 | 0 | 112.1 | I324 V375 K379 V380 G385 N386 P387 H388 S389 V390 R392 | I324-E383 HydrophobicContact CG2-CB 4.22Å; I324-E383 HydrophobicContact CG2-CG 3.93Å; V375-E383 HydrophobicContact CG1-CB 4.16Å; V375-E383 HydrophobicContact CG2-CG 4.13Å; K379-E383 PolarHBondContact O-N 3.36Å; K379-E383 VanDerWaalsContact O-N 3.15Å; V380-E383 PolarHBondContact O-N 2.95Å; E383-G385 VanDerWaalsContact C-N 3.33Å; E383-G385 PolarHBondContact O-N 3.48Å; E383-N386 CarbonylContact O-C 3.55Å; E383-N386 PolarHBondContact O-N 3.42Å; E383-P387 VanDerWaalsContact O-CA 3.27Å; E383-P387 WeakPolarHBondContact O-CA 3.35Å; E383-P387 VanDerWaalsContact O-N 3.09Å; E383-H388 VanDerWaalsContact CD-N 3.34Å; E383-H388 VanDerWaalsContact OE1-CA 3.26Å; E383-H388 WeakPolarHBondContact OE1-CA 3.41Å; E383-H388 PolarHBondContact OE1-N 3.25Å; E383-H388 PolarHBondContact OE2-N 3.02Å; E383-S389 PolarHBondContact OE2-N 3.02Å; E383-S389 VanDerWaalsContact OE2-N 3.12Å; E383-V390 HydrophobicContact CB-CB 4.33Å; E383-V390 HydrophobicContact CB-CG2 3.93Å; E383-V390 VanDerWaalsContact OE2-CB 3.31Å; E383-V390 WeakPolarHBondContact OE2-CB 3.32Å; E383-V390 WeakPolarHBondContact OE2-CG2 3.41Å; E383-V390 PolarHBondContact OE2-N 3.25Å; E383-R392 IonicContact OE1-NH2 3.38Å |
| 384 | Y | 94.1 | Very high | 94.9 | Very high | 66 Ų | 66 | 61.1 Ų | 61.1 | 26% | 0.259 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 172.4 | -72.3 | -42.4 | 0 | 0 | 0 | 112.9 | L320 E322 I324 V380 E382 | L320-Y384 PolarHBondContact O-OH 3.26Å; E322-Y384 WeakPolarHBondContact O-CE1 3.38Å; I324-Y384 HydrophobicContact CD1-CE1 4.29Å; I324-Y384 HydrophobicContact CG1-CE1 4.22Å; I324-Y384 HydrophobicContact CG2-CD1 3.94Å; I324-Y384 HydrophobicContact CG2-CE1 3.68Å; V380-Y384 HydrophobicContact CG1-CD2 3.93Å; V380-Y384 HydrophobicContact CG1-CE2 3.42Å; V380-Y384 VanDerWaalsContact CG1-CE2 3.42Å; V380-Y384 WeakPolarHBondContact O-CD2 3.49Å; V380-Y384 PolarHBondContact O-N 3.22Å; E382-Y384 PolarHBondContact O-N 2.95Å |
| 385 | G | 93.8 | Very high | 94.7 | Very high | 68 Ų | 68 | 65.3 Ų | 65.3 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.6 | -35.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E381 E382 E383 | E381-G385 PolarHBondContact O-N 3.22Å; E382-G385 PolarHBondContact O-N 3.12Å; E383-G385 VanDerWaalsContact C-N 3.33Å; E383-G385 PolarHBondContact O-N 3.48Å |
| 386 | N | 93.5 | Very high | 94.3 | Very high | 105 Ų | 105 | 67.3 Ų | 67.3 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -144.6 | 90.8 | 177.6 | -172.5 | 33.6 | 0 | 0 | 0 | 110.4 | E382 E383 S389 | E382-N386 PolarHBondContact O-N 3.36Å; E383-N386 CarbonylContact O-C 3.55Å; E383-N386 PolarHBondContact O-N 3.42Å; N386-S389 WeakPolarHBondContact ND2-CB 3.41Å; N386-S389 WeakPolarHBondContact O-CB 3.41Å; N386-S389 PolarHBondContact O-N 2.92Å; N386-S389 PolarHBondContact O-OG 3.11Å |
| 387 | P | 91.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 67.6 Ų | 67.6 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 145 | -178.1 | -29.5 | 36.6 | 0 | 0 | 0 | 113.5 | N323 E383 S389 | N323-P387 HydrophobicContact CB-CB 4.22Å; N323-P387 HydrophobicContact CB-CG 4.12Å; E383-P387 VanDerWaalsContact O-CA 3.27Å; E383-P387 WeakPolarHBondContact O-CA 3.35Å; E383-P387 VanDerWaalsContact O-N 3.09Å; P387-S389 VanDerWaalsContact C-N 3.26Å; P387-S389 PolarHBondContact O-N 3.48Å |
| 388 | H | 90.3 | Very high | 94 | Very high | 94 Ų | 94 | 65.3 Ų | 65.3 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 15.8 | -178 | -48.7 | -71.9 | 0 | 0 | 0 | 115.8 | R290 E383 | R290-H388 PolarHBondContact NE-O 3.24Å; E383-H388 VanDerWaalsContact CD-N 3.34Å; E383-H388 VanDerWaalsContact OE1-CA 3.26Å; E383-H388 WeakPolarHBondContact OE1-CA 3.41Å; E383-H388 PolarHBondContact OE1-N 3.25Å; E383-H388 PolarHBondContact OE2-N 3.02Å |
| 389 | S | 93.5 | Very high | 93.9 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | trans | -92.9 | -26 | -178 | 67.7 | 0 | 0 | 0 | 0 | 114 | E383 N386 P387 | E383-S389 PolarHBondContact OE2-N 3.02Å; E383-S389 VanDerWaalsContact OE2-N 3.12Å; N386-S389 WeakPolarHBondContact ND2-CB 3.41Å; N386-S389 WeakPolarHBondContact O-CB 3.41Å; N386-S389 PolarHBondContact O-N 2.92Å; N386-S389 PolarHBondContact O-OG 3.11Å; P387-S389 VanDerWaalsContact C-N 3.26Å; P387-S389 PolarHBondContact O-N 3.48Å | ||
| 390 | V | 95.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -88.6 | 133 | -175.5 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | R290 V375 P376 K379 E382 E383 | R290-V390 PolarHBondContact NH2-O 3.27Å; V375-V390 HydrophobicContact CG1-CG1 4.14Å; P376-V390 HydrophobicContact CG-CG1 4.42Å; K379-V390 HydrophobicContact CB-CG1 3.7Å; K379-V390 HydrophobicContact CB-CG2 4.14Å; K379-V390 HydrophobicContact CD-CG1 3.64Å; K379-V390 HydrophobicContact CG-CG1 4.35Å; E382-V390 HydrophobicContact CB-CG2 3.94Å; E382-V390 HydrophobicContact CG-CG2 3.82Å; E383-V390 HydrophobicContact CB-CB 4.33Å; E383-V390 HydrophobicContact CB-CG2 3.93Å; E383-V390 VanDerWaalsContact OE2-CB 3.31Å; E383-V390 WeakPolarHBondContact OE2-CB 3.32Å; E383-V390 WeakPolarHBondContact OE2-CG2 3.41Å; E383-V390 PolarHBondContact OE2-N 3.25Å |
| 391 | D | 95.9 | Very high | 93.9 | Very high | 98 Ų | 98 | 56.5 Ų | 56.5 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -69 | 129.8 | 171.3 | -71.6 | -21.3 | 0 | 0 | 0 | 111.5 | R290 Y291 P376 | R290-D391 IonicContact CZ-OD1 2.9Å; R290-D391 IonicContact NH1-OD1 3.97Å; R290-D391 PolarHBondContact NH1-OD1 3Å; R290-D391 IonicContact NH2-OD1 3.03Å; R290-D391 PolarHBondContact NH2-OD1 3.5Å; Y291-D391 WeakPolarHBondContact OH-CA 3.33Å; Y291-D391 PolarHBondContact OH-OD1 3.46Å; P376-D391 WeakPolarHBondContact CD-O 3.32Å |
| 392 | R | 96.3 | Very high | 93.8 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 6% | 0.057 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 153.7 | -174.8 | -63.6 | 175.3 | 173.9 | -107.4 | 1.2 | 111.7 | Y291 E325 E327 Y373 A374 V375 E383 | Y291-R392 HydrophobicContact CD2-CB 3.97Å; Y291-R392 HydrophobicContact CD2-CG 4.1Å; Y291-R392 HydrophobicContact CE2-CB 3.74Å; Y291-R392 HydrophobicContact CE2-CG 3.91Å; Y291-R392 PolarHBondContact OH-N 3.49Å; E325-R392 VanDerWaalsContact O-CZ 3.27Å; E325-R392 PolarHBondContact O-NH1 3.14Å; E325-R392 PolarHBondContact O-NH2 3.48Å; E325-R392 VanDerWaalsContact O-NH2 3.12Å; E327-R392 IonicContact OE1-CZ 3.27Å; E327-R392 VanDerWaalsContact OE1-CZ 3.28Å; E327-R392 IonicContact OE1-NE 2.84Å; E327-R392 PolarHBondContact OE1-NE 2.85Å; E327-R392 IonicContact OE1-NH2 2.81Å; E327-R392 PolarHBondContact OE1-NH2 3.31Å; Y373-R392 HydrophobicContact CD1-CB 4.29Å; Y373-R392 PolarHBondContact O-NH1 3.37Å; A374-R392 CarbonylContact O-C 3.57Å; A374-R392 WeakPolarHBondContact O-CA 3.49Å; A374-R392 WeakPolarHBondContact O-CB 3.33Å; V375-R392 HydrophobicContact CG2-CG 4.31Å; E383-R392 IonicContact OE1-NH2 3.38Å |
| 393 | M | 96.1 | Very high | 93.9 | Very high | 100 Ų | 100 | 45.5 Ų | 45.5 | 49% | 0.493 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.9 | 178.3 | -62.6 | -178.7 | -57.2 | 0 | 0 | 110.7 | Y373 A374 P376 M395 | Y373-M393 WeakPolarHBondContact CA-O 3.43Å; A374-M393 PolarHBondContact N-O 3.2Å; A374-M393 PolarHBondContact O-N 3.45Å; P376-M393 HydrophobicContact CB-CE 3.69Å; P376-M393 HydrophobicContact CB-SD 4.42Å; P376-M393 HydrophobicContact CG-CE 3.8Å; P376-M393 HydrophobicContact CG-CG 4.1Å; P376-M393 HydrophobicContact CG-SD 4.13Å; M393-M395 PolarHBondContact O-N 3.49Å |
| 394 | A | 95.9 | Very high | 94 | Very high | 39 Ų | 39 | 45.5 Ų | 45.5 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 131.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I360 P370 L372 Y373 | I360-A394 HydrophobicContact CD1-CB 3.62Å; P370-A394 HydrophobicContact CB-CB 4.16Å; P370-A394 HydrophobicContact CG-CB 4.44Å; L372-A394 WeakPolarHBondContact O-CA 3.5Å; Y373-A394 HydrophobicContact CD1-CB 4.3Å; Y373-A394 HydrophobicContact CE1-CB 3.8Å |
| 395 | M | 93.1 | Very high | 94.2 | Very high | 95 Ų | 95 | 42.4 Ų | 42.4 | 47% | 0.468 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 170.8 | -177.3 | -73.2 | -70 | -75.2 | 0 | 0 | 110.2 | L372 A374 M393 | L372-M395 HydrophobicContact CD1-CB 3.62Å; L372-M395 PolarHBondContact N-O 2.9Å; L372-M395 PolarHBondContact O-N 2.89Å; A374-M395 HydrophobicContact CB-CB 4.44Å; A374-M395 HydrophobicContact CB-CG 4.11Å; M393-M395 PolarHBondContact O-N 3.49Å |
| 396 | G | 90.3 | Very high | 94.4 | Very high | 45 Ų | 45 | 39.2 Ų | 39.2 | 46% | 0.464 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 78.3 | -147.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E371 | E371-G396 VanDerWaalsContact OE2-CA 3.32Å; E371-G396 WeakPolarHBondContact OE2-CA 3.35Å |
| 397 | Q | 90.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | trans | -74.9 | 144.7 | -177.1 | -61.6 | 170.4 | 29 | 0 | 0 | 112.7 | A35 E371 | A35-Q397 PolarHBondContact O-OE1 2.84Å; A35-Q397 VanDerWaalsContact O-OE1 3.05Å; E371-Q397 HydrophobicContact CB-CB 4.18Å; E371-Q397 PolarHBondContact N-O 3.39Å; E371-Q397 VanDerWaalsContact OE2-CG 3.27Å; E371-Q397 WeakPolarHBondContact OE2-CG 3.48Å; E371-Q397 PolarHBondContact OE2-N 2.98Å | ||
| 398 | L | 92.1 | Very high | 94.9 | Very high | 80 Ų | 80 | 33.4 Ų | 33.4 | 42% | 0.419 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -147.4 | 114.1 | 175.5 | -174.5 | 66.7 | 0 | 0 | 0 | 111.3 | I360 L368 P370 | I360-L398 HydrophobicContact CB-CD1 4.28Å; I360-L398 HydrophobicContact CB-CD2 4.45Å; I360-L398 HydrophobicContact CD1-CD1 3.9Å; I360-L398 HydrophobicContact CD1-CD2 3.83Å; I360-L398 HydrophobicContact CG2-CD2 4.13Å; L368-L398 HydrophobicContact CB-CD1 3.64Å; L368-L398 HydrophobicContact CB-CG 4.27Å; L368-L398 HydrophobicContact CD1-CG 4.26Å; P370-L398 HydrophobicContact CB-CD1 4.07Å |
| 399 | P | 92.6 | Very high | 95.2 | Very high | 21 Ų | 21 | 29 Ų | 29 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | S | Bend | cis | -67.8 | 149.9 | -9.7 | 30.7 | -33.5 | 0 | 0 | 0 | 111.6 | T21 L368 L369 M401 Q404 | T21-P399 HydrophobicContact CG2-CG 4.33Å; L368-P399 HydrophobicContact CB-CB 4.45Å; L368-P399 HydrophobicContact CD2-CB 4.09Å; L368-P399 HydrophobicContact CD2-CG 4.19Å; L369-P399 WeakPolarHBondContact O-CA 3.47Å; P399-M401 PolarHBondContact O-N 3.11Å; P399-Q404 HydrophobicContact CB-CB 4.27Å; P399-Q404 HydrophobicContact CB-CG 4.3Å |
| 400 | H | 94.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | trans | -76.5 | 103.7 | 161.5 | 174.6 | -135.1 | 0 | 0 | 0 | 108.4 | L369 E371 W402 G403 Q404 | L369-H400 PolarHBondContact O-N 3.48Å; E371-H400 HydrophobicContact CB-CB 4.08Å; H400-W402 PolarHBondContact O-N 3.37Å; H400-G403 PolarHBondContact ND1-N 3.18Å; H400-G403 PolarHBondContact O-N 3.33Å; H400-Q404 VanDerWaalsContact O-CB 3.31Å; H400-Q404 WeakPolarHBondContact O-CB 3.2Å; H400-Q404 PolarHBondContact O-N 3.39Å | ||
| 401 | M | 95.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 3% | 0.034 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -37.2 | -167.1 | -76.1 | -176.9 | -76.9 | 0 | 0 | 114.1 | H25 P34 A35 S50 P399 Q404 S405 | H25-M401 HydrophobicContact CB-SD 4.38Å; P34-M401 WeakPolarHBondContact O-CE 3.48Å; A35-M401 WeakPolarHBondContact O-CE 3.42Å; S50-M401 WeakPolarHBondContact OG-CB 3.38Å; P399-M401 PolarHBondContact O-N 3.11Å; M401-Q404 PolarHBondContact O-N 3.11Å; M401-S405 VanDerWaalsContact O-CB 3.29Å; M401-S405 WeakPolarHBondContact O-CB 3.45Å; M401-S405 PolarHBondContact O-N 3.38Å |
| 402 | W | 94.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 3% | 0.034 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58 | -57.2 | 172.8 | 169.3 | 5.8 | 0 | 0 | 0 | 110.8 | R45 Y49 S50 M183 W184 Y334 H400 Q404 S405 L406 | R45-W402 HydrophobicContact CG-CZ3 4.48Å; Y49-W402 AromaticContact CD1-CD1 3.73Å; Y49-W402 AromaticContact CD1-NE1 3.39Å; Y49-W402 HydrophobicContact CD2-CD2 4Å; Y49-W402 AromaticContact CD2-CE2 3.56Å; Y49-W402 HydrophobicContact CD2-CG 4.29Å; Y49-W402 AromaticContact CD2-CZ2 3.86Å; Y49-W402 HydrophobicContact CD2-CZ2 3.86Å; Y49-W402 AromaticContact CD2-NE1 3.62Å; Y49-W402 AromaticContact CE1-NE1 3.75Å; Y49-W402 AromaticContact CE2-CE2 3.77Å; Y49-W402 HydrophobicContact CE2-CH2 4.29Å; Y49-W402 AromaticContact CE2-CZ2 3.6Å; Y49-W402 HydrophobicContact CE2-CZ2 3.6Å; Y49-W402 AromaticContact CE2-NE1 3.96Å; Y49-W402 AromaticContact CG-CD1 3.45Å; Y49-W402 VanDerWaalsContact CG-CD1 3.45Å; Y49-W402 HydrophobicContact CG-CD2 4.17Å; Y49-W402 AromaticContact CG-CE2 3.77Å; Y49-W402 AromaticContact CG-CG 4Å; Y49-W402 HydrophobicContact CG-CG 4Å; Y49-W402 HydrophobicContact CG-CZ2 4.45Å; Y49-W402 AromaticContact CG-NE1 3.31Å; Y49-W402 VanDerWaalsContact CG-NE1 3.31Å; Y49-W402 AromaticContact CZ-CZ2 3.99Å; S50-W402 PolarHBondContact OG-N 2.98Å; M183-W402 HydrophobicContact CE-CH2 3.59Å; M183-W402 HydrophobicContact CE-CZ2 4.17Å; W184-W402 HydrophobicContact CZ3-CZ3 4.48Å; Y334-W402 HydrophobicContact CE2-CZ2 4.4Å; Y334-W402 VanDerWaalsContact OH-CZ2 3.28Å; Y334-W402 WeakPolarHBondContact OH-CZ2 3.46Å; Y334-W402 PolarHBondContact OH-NE1 3.05Å; H400-W402 PolarHBondContact O-N 3.37Å; W402-Q404 VanDerWaalsContact C-N 3.33Å; W402-Q404 PolarHBondContact O-N 2.46Å; W402-S405 WeakPolarHBondContact O-CB 3.28Å; W402-S405 PolarHBondContact O-N 3.47Å; W402-S405 VanDerWaalsContact O-N 3.16Å; W402-L406 PolarHBondContact O-N 3.49Å; W402-L406 VanDerWaalsContact O-N 3.13Å |
| 403 | G | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.9 | -34.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L369 H400 S405 L406 Y407 | L369-G403 VanDerWaalsContact CD2-CA 3.44Å; L369-G403 WeakPolarHBondContact CD2-O 3.32Å; H400-G403 PolarHBondContact ND1-N 3.18Å; H400-G403 PolarHBondContact O-N 3.33Å; G403-S405 VanDerWaalsContact C-N 3.27Å; G403-S405 PolarHBondContact O-N 2.89Å; G403-L406 PolarHBondContact O-N 3.04Å; G403-Y407 WeakPolarHBondContact O-CB 3.49Å; G403-Y407 PolarHBondContact O-N 3.17Å |
| 404 | Q | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.8 | -40.3 | 173.2 | -172.3 | 69.9 | 38.7 | 0 | 0 | 111.2 | T21 K367 P399 H400 M401 W402 Y407 I408 | T21-Q404 HydrophobicContact CG2-CG 4.46Å; K367-Q404 PolarHBondContact O-NE2 2.67Å; K367-Q404 VanDerWaalsContact O-NE2 3.14Å; P399-Q404 HydrophobicContact CB-CB 4.27Å; P399-Q404 HydrophobicContact CB-CG 4.3Å; H400-Q404 VanDerWaalsContact O-CB 3.31Å; H400-Q404 WeakPolarHBondContact O-CB 3.2Å; H400-Q404 PolarHBondContact O-N 3.39Å; M401-Q404 PolarHBondContact O-N 3.11Å; W402-Q404 VanDerWaalsContact C-N 3.33Å; W402-Q404 PolarHBondContact O-N 2.46Å; Q404-Y407 PolarHBondContact O-N 2.96Å; Q404-I408 HydrophobicContact CG-CD1 4.19Å; Q404-I408 WeakPolarHBondContact O-CD1 3.42Å; Q404-I408 VanDerWaalsContact O-CG1 3.24Å; Q404-I408 WeakPolarHBondContact O-CG1 3.42Å; Q404-I408 PolarHBondContact O-N 3.45Å; Q404-I408 VanDerWaalsContact O-N 3.08Å |
| 405 | S | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.7 | -50.2 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | Y49 S50 A53 M401 W402 G403 Y407 I408 V409 | Y49-S405 VanDerWaalsContact O-CB 3.24Å; Y49-S405 WeakPolarHBondContact O-CB 3.41Å; Y49-S405 PolarHBondContact O-OG 2.88Å; S50-S405 PolarHBondContact O-OG 3.09Å; A53-S405 WeakPolarHBondContact CB-OG 3.45Å; A53-S405 PolarHBondContact N-OG 3.04Å; M401-S405 VanDerWaalsContact O-CB 3.29Å; M401-S405 WeakPolarHBondContact O-CB 3.45Å; M401-S405 PolarHBondContact O-N 3.38Å; W402-S405 WeakPolarHBondContact O-CB 3.28Å; W402-S405 PolarHBondContact O-N 3.47Å; W402-S405 VanDerWaalsContact O-N 3.16Å; G403-S405 VanDerWaalsContact C-N 3.27Å; G403-S405 PolarHBondContact O-N 2.89Å; S405-Y407 VanDerWaalsContact C-N 3.31Å; S405-Y407 PolarHBondContact O-N 3.01Å; S405-I408 PolarHBondContact O-N 2.91Å; S405-I408 VanDerWaalsContact O-N 3.11Å; S405-V409 WeakPolarHBondContact O-CG2 3.39Å; S405-V409 PolarHBondContact O-N 3.11Å |
| 406 | L | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.2 | -37.4 | 177.6 | -65.7 | -177.6 | 0 | 0 | 0 | 112.6 | Y49 L52 F265 V330 T333 Y334 L337 W402 G403 I408 V409 G410 | Y49-L406 HydrophobicContact CD1-CD2 4.22Å; L52-L406 HydrophobicContact CD1-CD2 4.24Å; F265-L406 HydrophobicContact CE1-CD2 4.22Å; V330-L406 HydrophobicContact CG2-CD1 4.18Å; T333-L406 WeakPolarHBondContact OG1-CB 3.34Å; Y334-L406 HydrophobicContact CD1-CD1 4.43Å; Y334-L406 HydrophobicContact CD2-CD1 4.15Å; Y334-L406 HydrophobicContact CE1-CD1 3.93Å; Y334-L406 HydrophobicContact CE2-CD1 3.62Å; Y334-L406 VanDerWaalsContact CZ-CD1 3.49Å; L337-L406 HydrophobicContact CD1-CB 4.33Å; L337-L406 HydrophobicContact CD1-CD2 4.04Å; W402-L406 PolarHBondContact O-N 3.49Å; W402-L406 VanDerWaalsContact O-N 3.13Å; G403-L406 PolarHBondContact O-N 3.04Å; L406-I408 PolarHBondContact O-N 3.49Å; L406-V409 PolarHBondContact O-N 2.86Å; L406-G410 PolarHBondContact O-N 3.48Å |
| 407 | Y | 97.8 | Very high | 95.6 | Very high | 33 Ų | 33 | 17.3 Ų | 17.3 | 13% | 0.129 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 172.4 | 169.6 | -110.7 | 0 | 0 | 0 | 112.2 | L355 L359 G403 Q404 S405 G410 C411 | L355-Y407 HydrophobicContact CD2-CD2 3.45Å; L355-Y407 VanDerWaalsContact CD2-CD2 3.45Å; L355-Y407 HydrophobicContact CD2-CE2 3.89Å; L355-Y407 HydrophobicContact CD2-CG 4.43Å; L359-Y407 HydrophobicContact CD1-CE1 4.44Å; L359-Y407 HydrophobicContact CD1-CE2 3.83Å; G403-Y407 WeakPolarHBondContact O-CB 3.49Å; G403-Y407 PolarHBondContact O-N 3.17Å; Q404-Y407 PolarHBondContact O-N 2.96Å; S405-Y407 VanDerWaalsContact C-N 3.31Å; S405-Y407 PolarHBondContact O-N 3.01Å; Y407-G410 PolarHBondContact O-N 2.84Å; Y407-C411 VanDerWaalsContact CE2-SG 3.56Å; Y407-C411 PolarHBondContact O-N 3.28Å; Y407-C411 PolarHBondContact O-SG 3.33Å |
| 408 | I | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | 178.9 | -67.2 | 165.5 | 0 | 0 | 0 | 110.6 | Y14 L17 V18 I22 A53 Q404 S405 L406 G410 C411 L412 | Y14-I408 HydrophobicContact CD1-CG2 4.16Å; L17-I408 HydrophobicContact CD2-CD1 3.89Å; L17-I408 HydrophobicContact CD2-CG1 3.67Å; L17-I408 HydrophobicContact CG-CD1 3.86Å; L17-I408 HydrophobicContact CG-CG1 4.23Å; V18-I408 HydrophobicContact CG2-CD1 3.91Å; V18-I408 HydrophobicContact CG2-CG2 4.18Å; I22-I408 HydrophobicContact CD1-CD1 4.34Å; A53-I408 HydrophobicContact CB-CB 3.93Å; A53-I408 HydrophobicContact CB-CD1 4.21Å; A53-I408 HydrophobicContact CB-CG2 3.95Å; Q404-I408 HydrophobicContact CG-CD1 4.19Å; Q404-I408 WeakPolarHBondContact O-CD1 3.42Å; Q404-I408 VanDerWaalsContact O-CG1 3.24Å; Q404-I408 WeakPolarHBondContact O-CG1 3.42Å; Q404-I408 PolarHBondContact O-N 3.45Å; Q404-I408 VanDerWaalsContact O-N 3.08Å; S405-I408 PolarHBondContact O-N 2.91Å; S405-I408 VanDerWaalsContact O-N 3.11Å; L406-I408 PolarHBondContact O-N 3.49Å; I408-G410 PolarHBondContact O-N 2.8Å; I408-C411 WeakPolarHBondContact O-CB 3.35Å; I408-C411 PolarHBondContact O-N 3.17Å; I408-L412 HydrophobicContact CG2-CD1 4.1Å; I408-L412 HydrophobicContact CG2-CG 4.43Å; I408-L412 WeakPolarHBondContact O-CG 3.33Å; I408-L412 PolarHBondContact O-N 3.46Å |
| 409 | V | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 176.2 | 174 | 0 | 0 | 0 | 0 | 110.8 | L52 A53 L337 S405 L406 C411 L412 L413 I423 | L52-V409 HydrophobicContact CB-CG2 4.25Å; A53-V409 HydrophobicContact CB-CG2 4.38Å; L337-V409 HydrophobicContact CD2-CG1 4.17Å; S405-V409 WeakPolarHBondContact O-CG2 3.39Å; S405-V409 PolarHBondContact O-N 3.11Å; L406-V409 PolarHBondContact O-N 2.86Å; V409-C411 VanDerWaalsContact C-N 3.29Å; V409-C411 PolarHBondContact O-N 2.9Å; V409-L412 PolarHBondContact O-N 2.95Å; V409-L413 HydrophobicContact CG1-CD1 3.95Å; V409-L413 WeakPolarHBondContact O-CG 3.48Å; V409-L413 PolarHBondContact O-N 3.15Å; V409-I423 HydrophobicContact CG1-CD1 3.86Å |
| 410 | G | 97.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 15.8 Ų | 15.8 | 5% | 0.052 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.8 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L406 Y407 I408 A414 | L406-G410 PolarHBondContact O-N 3.48Å; Y407-G410 PolarHBondContact O-N 2.84Å; I408-G410 PolarHBondContact O-N 2.8Å; G410-A414 WeakPolarHBondContact O-CB 3.36Å; G410-A414 PolarHBondContact O-N 3.44Å |
| 411 | C | 96.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 5% | 0.054 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.6 | -45.1 | 174.7 | -69.4 | 0 | 0 | 0 | 0 | 112.8 | Y14 Y407 I408 V409 L413 A414 E415 | Y14-C411 HydrophobicContact CE1-CB 3.88Å; Y14-C411 WeakPolarHBondContact OH-CB 3.48Å; Y407-C411 VanDerWaalsContact CE2-SG 3.56Å; Y407-C411 PolarHBondContact O-N 3.28Å; Y407-C411 PolarHBondContact O-SG 3.33Å; I408-C411 WeakPolarHBondContact O-CB 3.35Å; I408-C411 PolarHBondContact O-N 3.17Å; V409-C411 VanDerWaalsContact C-N 3.29Å; V409-C411 PolarHBondContact O-N 2.9Å; C411-L413 VanDerWaalsContact C-N 3.27Å; C411-L413 PolarHBondContact O-N 3.12Å; C411-A414 PolarHBondContact O-N 3.03Å; C411-E415 WeakPolarHBondContact O-CB 3.14Å; C411-E415 VanDerWaalsContact O-CG 3.28Å; C411-E415 WeakPolarHBondContact O-CG 3.47Å; C411-E415 PolarHBondContact O-N 3.15Å |
| 412 | L | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 178.5 | -71.8 | 170.8 | 0 | 0 | 0 | 111.8 | L11 Y14 L57 A60 I408 V409 G416 F417 L418 | L11-L412 HydrophobicContact CD2-CD2 4.14Å; Y14-L412 HydrophobicContact CD1-CD2 4.4Å; Y14-L412 HydrophobicContact CD2-CD2 3.64Å; Y14-L412 HydrophobicContact CE2-CD2 3.93Å; Y14-L412 HydrophobicContact CG-CD2 3.91Å; L57-L412 HydrophobicContact CB-CD1 4.31Å; L57-L412 HydrophobicContact CD1-CD2 4.39Å; A60-L412 HydrophobicContact CB-CD2 4.43Å; I408-L412 HydrophobicContact CG2-CD1 4.1Å; I408-L412 HydrophobicContact CG2-CG 4.43Å; I408-L412 WeakPolarHBondContact O-CG 3.33Å; I408-L412 PolarHBondContact O-N 3.46Å; V409-L412 PolarHBondContact O-N 2.95Å; L412-G416 PolarHBondContact O-N 2.71Å; L412-F417 HydrophobicContact CD2-CB 4.1Å; L412-F417 HydrophobicContact CD2-CD2 4.29Å; L412-F417 HydrophobicContact CD2-CG 4.46Å; L412-F417 WeakPolarHBondContact O-CB 3.16Å; L412-F417 PolarHBondContact O-N 3.04Å; L412-L418 HydrophobicContact CB-CD1 3.77Å; L412-L418 HydrophobicContact CB-CG 4.12Å; L412-L418 HydrophobicContact CD1-CD1 4.05Å; L412-L418 PolarHBondContact O-N 2.95Å; L412-L418 VanDerWaalsContact O-N 3.14Å |
| 413 | L | 96.8 | Very high | 96 | Very high | 13 Ų | 13 | 18.8 Ų | 18.8 | 7% | 0.068 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.3 | -50.2 | 175 | -71.5 | 163.6 | 0 | 0 | 0 | 112.3 | L337 I340 V409 C411 E415 G416 L418 I423 | L337-L413 HydrophobicContact CD2-CD1 3.6Å; I340-L413 HydrophobicContact CD1-CB 3.87Å; I340-L413 HydrophobicContact CD1-CD1 4.37Å; I340-L413 HydrophobicContact CG2-CB 4.05Å; I340-L413 HydrophobicContact CG2-CD1 4.31Å; V409-L413 HydrophobicContact CG1-CD1 3.95Å; V409-L413 WeakPolarHBondContact O-CG 3.48Å; V409-L413 PolarHBondContact O-N 3.15Å; C411-L413 VanDerWaalsContact C-N 3.27Å; C411-L413 PolarHBondContact O-N 3.12Å; L413-E415 PolarHBondContact O-N 3.14Å; L413-G416 PolarHBondContact O-N 3.27Å; L413-L418 HydrophobicContact CD2-CB 3.69Å; L413-L418 HydrophobicContact CG-CB 4.17Å; L413-I423 HydrophobicContact CD1-CD1 3.68Å; L413-I423 HydrophobicContact CD2-CD1 4.15Å; L413-I423 HydrophobicContact CD2-CG1 4.48Å; L413-I423 HydrophobicContact CG-CD1 4.32Å |
| 414 | A | 94.7 | Very high | 96 | Very high | 39 Ų | 39 | 18.8 Ų | 18.8 | 32% | 0.322 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -62.9 | -27.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I340 G410 C411 | I340-A414 HydrophobicContact CD1-CB 4.21Å; G410-A414 WeakPolarHBondContact O-CB 3.36Å; G410-A414 PolarHBondContact O-N 3.44Å; C411-A414 PolarHBondContact O-N 3.03Å |
| 415 | E | 93.2 | Very high | 96 | Very high | 60 Ų | 60 | 20.5 Ų | 20.5 | 28% | 0.28 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -2.1 | 175.8 | -64.8 | -174.5 | 178.7 | 0 | 0 | 113.8 | R10 Y14 C411 L413 F417 | R10-E415 IonicContact CZ-OE1 3.11Å; R10-E415 IonicContact CZ-OE2 3.86Å; R10-E415 IonicContact NE-OE2 3.82Å; R10-E415 PolarHBondContact NE-OE2 3.14Å; R10-E415 IonicContact NH2-OE1 3.64Å; R10-E415 PolarHBondContact NH2-OE1 3.48Å; R10-E415 IonicContact NH2-OE2 3.45Å; R10-E415 PolarHBondContact NH2-OE2 3.26Å; Y14-E415 PolarHBondContact OH-OE1 2.9Å; Y14-E415 PolarHBondContact OH-OE2 3.38Å; Y14-E415 VanDerWaalsContact OH-OE2 3.05Å; C411-E415 WeakPolarHBondContact O-CB 3.14Å; C411-E415 VanDerWaalsContact O-CG 3.28Å; C411-E415 WeakPolarHBondContact O-CG 3.47Å; C411-E415 PolarHBondContact O-N 3.15Å; L413-E415 PolarHBondContact O-N 3.14Å; E415-F417 VanDerWaalsContact C-N 3.32Å; E415-F417 HydrophobicContact CB-CD2 3.8Å; E415-F417 HydrophobicContact CB-CE2 3.95Å; E415-F417 PolarHBondContact O-N 2.92Å; E415-F417 WeakPolarHBondContact OE2-CE2 3.48Å |
| 416 | G | 93.1 | Very high | 95.9 | Very high | 51 Ų | 51 | 23.2 Ų | 23.2 | 53% | 0.526 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 10.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L412 L413 L418 | L412-G416 PolarHBondContact O-N 2.71Å; L413-G416 PolarHBondContact O-N 3.27Å; G416-L418 VanDerWaalsContact C-N 3.28Å |
| 417 | F | 95.1 | Very high | 95.7 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 7% | 0.066 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -68.2 | -33.5 | 171.6 | -70.9 | -65.8 | 0 | 0 | 0 | 111.6 | R10 L11 Y14 A60 K63 N64 L412 E415 | R10-F417 HydrophobicContact CB-CE2 4.14Å; R10-F417 HydrophobicContact CB-CZ 3.69Å; R10-F417 HydrophobicContact CG-CZ 4.45Å; L11-F417 HydrophobicContact CD1-CD1 4.33Å; L11-F417 HydrophobicContact CD2-CB 4.32Å; L11-F417 HydrophobicContact CD2-CD1 3.84Å; L11-F417 HydrophobicContact CD2-CD2 4.48Å; L11-F417 HydrophobicContact CD2-CE1 4.28Å; L11-F417 HydrophobicContact CD2-CG 3.96Å; L11-F417 HydrophobicContact CG-CD1 4.03Å; L11-F417 HydrophobicContact CG-CE1 4.05Å; Y14-F417 HydrophobicContact CE2-CD2 4.3Å; Y14-F417 HydrophobicContact CE2-CE2 4.2Å; A60-F417 HydrophobicContact CB-CB 4.25Å; K63-F417 WeakPolarHBondContact CD-O 3.43Å; N64-F417 PolarHBondContact ND2-O 2.84Å; L412-F417 HydrophobicContact CD2-CB 4.1Å; L412-F417 HydrophobicContact CD2-CD2 4.29Å; L412-F417 HydrophobicContact CD2-CG 4.46Å; L412-F417 WeakPolarHBondContact O-CB 3.16Å; L412-F417 PolarHBondContact O-N 3.04Å; E415-F417 VanDerWaalsContact C-N 3.32Å; E415-F417 HydrophobicContact CB-CD2 3.8Å; E415-F417 HydrophobicContact CB-CE2 3.95Å; E415-F417 PolarHBondContact O-N 2.92Å; E415-F417 WeakPolarHBondContact OE2-CE2 3.48Å |
| 418 | L | 95.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -115.7 | 146.3 | 171.3 | -68.9 | 173.5 | 0 | 0 | 0 | 110.9 | G56 M59 A60 L412 L413 G416 E422 I423 | G56-L418 WeakPolarHBondContact O-CD1 3.47Å; M59-L418 HydrophobicContact CB-CD2 3.8Å; A60-L418 HydrophobicContact CB-CD2 3.96Å; A60-L418 HydrophobicContact CB-CG 4.12Å; L412-L418 HydrophobicContact CB-CD1 3.77Å; L412-L418 HydrophobicContact CB-CG 4.12Å; L412-L418 HydrophobicContact CD1-CD1 4.05Å; L412-L418 PolarHBondContact O-N 2.95Å; L412-L418 VanDerWaalsContact O-N 3.14Å; L413-L418 HydrophobicContact CD2-CB 3.69Å; L413-L418 HydrophobicContact CG-CB 4.17Å; G416-L418 VanDerWaalsContact C-N 3.28Å; L418-E422 VanDerWaalsContact CA-OE2 3.29Å; L418-E422 WeakPolarHBondContact CA-OE2 3.47Å; L418-E422 HydrophobicContact CD2-CB 4.3Å; L418-I423 HydrophobicContact CD1-CG2 4.05Å |
| 419 | A | 94.9 | Very high | 95.3 | Very high | 39 Ų | 39 | 28.4 Ų | 28.4 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | trans | -98.5 | 150.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | G421 E422 | A419-G421 PolarHBondContact O-N 2.82Å; A419-G421 VanDerWaalsContact O-N 3.12Å; A419-E422 HydrophobicContact CB-CG 4.39Å; A419-E422 PolarHBondContact N-OE2 2.96Å; A419-E422 WeakPolarHBondContact O-CB 3.37Å; A419-E422 PolarHBondContact O-N 3.39Å | ||
| 420 | P | 95 | Very high | 95 | Very high | 41 Ų | 41 | 33 Ų | 33 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -50.2 | -39.5 | 179.1 | -31.7 | 37.2 | 0 | 0 | 0 | 114.6 | I340 F341 E422 I423 D424 | I340-P420 HydrophobicContact CG2-CG 4.34Å; F341-P420 HydrophobicContact CD1-CB 3.83Å; F341-P420 HydrophobicContact CE1-CB 3.59Å; F341-P420 HydrophobicContact CZ-CB 4.29Å; P420-E422 PolarHBondContact O-N 2.84Å; P420-I423 WeakPolarHBondContact O-CG1 3.44Å; P420-I423 PolarHBondContact O-N 3.42Å; P420-D424 PolarHBondContact O-N 3.26Å; P420-D424 VanDerWaalsContact O-N 3.1Å |
| 421 | G | 94.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 33.7 Ų | 33.7 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.2 | -12.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A419 D424 P425 | A419-G421 PolarHBondContact O-N 2.82Å; A419-G421 VanDerWaalsContact O-N 3.12Å; G421-D424 CarbonylContact O-C 3.56Å; G421-P425 WeakPolarHBondContact O-CA 3.2Å |
| 422 | E | 94.3 | Very high | 94.1 | Very high | 53 Ų | 53 | 36 Ų | 36 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -81 | -23 | 177.2 | -65.2 | 175.4 | 134 | 0 | 0 | 112.3 | K63 L418 A419 P420 | K63-E422 WeakPolarHBondContact CD-OE1 3.19Å; K63-E422 WeakPolarHBondContact CE-OE1 3.41Å; K63-E422 WeakPolarHBondContact CG-OE1 3.43Å; K63-E422 IonicContact NZ-OE1 2.65Å; K63-E422 PolarHBondContact NZ-OE1 2.69Å; K63-E422 IonicContact NZ-OE2 2.64Å; K63-E422 PolarHBondContact NZ-OE2 3.25Å; L418-E422 VanDerWaalsContact CA-OE2 3.29Å; L418-E422 WeakPolarHBondContact CA-OE2 3.47Å; L418-E422 HydrophobicContact CD2-CB 4.3Å; A419-E422 HydrophobicContact CB-CG 4.39Å; A419-E422 PolarHBondContact N-OE2 2.96Å; A419-E422 WeakPolarHBondContact O-CB 3.37Å; A419-E422 PolarHBondContact O-N 3.39Å; P420-E422 PolarHBondContact O-N 2.84Å |
| 423 | I | 95 | Very high | 93.5 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -109.5 | -2.9 | 174.9 | 62.4 | 164.5 | 0 | 0 | 0 | 113.1 | W55 F265 F341 V409 L413 L418 P420 P425 | W55-I423 HydrophobicContact CH2-CB 4.1Å; W55-I423 WeakPolarHBondContact CH2-O 3Å; W55-I423 HydrophobicContact CZ3-CB 4.01Å; W55-I423 HydrophobicContact CZ3-CG2 4.29Å; F265-I423 HydrophobicContact CD2-CD1 4.35Å; F265-I423 HydrophobicContact CE2-CD1 3.8Å; F265-I423 HydrophobicContact CE2-CG1 4.3Å; F265-I423 HydrophobicContact CZ-CD1 4.14Å; F341-I423 HydrophobicContact CE2-CD1 4.29Å; F341-I423 HydrophobicContact CZ-CD1 3.89Å; F341-I423 HydrophobicContact CZ-CG1 4.14Å; V409-I423 HydrophobicContact CG1-CD1 3.86Å; L413-I423 HydrophobicContact CD1-CD1 3.68Å; L413-I423 HydrophobicContact CD2-CD1 4.15Å; L413-I423 HydrophobicContact CD2-CG1 4.48Å; L413-I423 HydrophobicContact CG-CD1 4.32Å; L418-I423 HydrophobicContact CD1-CG2 4.05Å; P420-I423 WeakPolarHBondContact O-CG1 3.44Å; P420-I423 PolarHBondContact O-N 3.42Å; I423-P425 VanDerWaalsContact C-CD 3.46Å |
| 424 | D | 96.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | trans | -135.3 | 62.5 | 169.8 | 174.7 | 40.1 | 0 | 0 | 0 | 109.7 | Q147 F341 P420 G421 L426 N427 R428 R429 | Q147-D424 PolarHBondContact NE2-OD1 3.45Å; F341-D424 HydrophobicContact CE1-CB 4.32Å; P420-D424 PolarHBondContact O-N 3.26Å; P420-D424 VanDerWaalsContact O-N 3.1Å; G421-D424 CarbonylContact O-C 3.56Å; D424-L426 PolarHBondContact O-N 3.05Å; D424-N427 PolarHBondContact O-N 3.38Å; D424-N427 PolarHBondContact OD1-N 2.94Å; D424-N427 WeakPolarHBondContact OD2-CA 3.26Å; D424-R428 PolarHBondContact OD1-N 2.98Å; D424-R428 PolarHBondContact OD2-N 2.9Å; D424-R429 PolarHBondContact O-NH1 3.38Å; D424-R429 WeakPolarHBondContact OD2-CB 3.39Å; D424-R429 WeakPolarHBondContact OD2-CG 3.4Å; D424-R429 IonicContact OD2-CZ 2.9Å; D424-R429 PolarHBondContact OD2-N 3.47Å; D424-R429 IonicContact OD2-NH1 3.6Å; D424-R429 PolarHBondContact OD2-NH1 3.32Å | ||
| 425 | P | 95.9 | Very high | 91.6 | Very high | 35 Ų | 35 | 50 Ų | 50 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.3 | 178.7 | 24.2 | -36.1 | 0 | 0 | 0 | 113.6 | Q147 A150 G421 I423 N427 | Q147-P425 VanDerWaalsContact O-CG 3.26Å; Q147-P425 WeakPolarHBondContact O-CG 3.44Å; A150-P425 HydrophobicContact CB-CB 4.16Å; A150-P425 HydrophobicContact CB-CG 3.86Å; G421-P425 WeakPolarHBondContact O-CA 3.2Å; I423-P425 VanDerWaalsContact C-CD 3.46Å; P425-N427 PolarHBondContact O-N 3.26Å; P425-N427 PolarHBondContact O-ND2 2.74Å |
| 426 | L | 95.3 | Very high | 90.8 | Very high | 57 Ų | 57 | 52 Ų | 52 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 0.9 | 175.5 | -61.6 | 174.1 | 0 | 0 | 0 | 113.5 | A146 Q147 A150 A211 D424 R428 | A146-L426 HydrophobicContact CB-CD1 3.86Å; Q147-L426 HydrophobicContact CG-CD1 4.37Å; Q147-L426 VanDerWaalsContact OE1-N 3.14Å; A150-L426 HydrophobicContact CB-CD2 3.7Å; A150-L426 HydrophobicContact CB-CG 3.92Å; A211-L426 HydrophobicContact CB-CD1 3.89Å; A211-L426 WeakPolarHBondContact O-CD1 3.5Å; D424-L426 PolarHBondContact O-N 3.05Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 HydrophobicContact CB-CG 4.37Å; L426-R428 PolarHBondContact O-N 3.5Å |
| 427 | N | 94.5 | Very high | 90.2 | Very high | 76 Ų | 76 | 54.3 Ų | 54.3 | 41% | 0.406 | 29% | 0.291 | S | S | . | . | trans | 58.7 | 32.6 | 172.8 | -60.5 | -61.8 | 0 | 0 | 0 | 115.3 | D424 P425 R429 F430 | D424-N427 PolarHBondContact O-N 3.38Å; D424-N427 PolarHBondContact OD1-N 2.94Å; D424-N427 WeakPolarHBondContact OD2-CA 3.26Å; P425-N427 PolarHBondContact O-N 3.26Å; P425-N427 PolarHBondContact O-ND2 2.74Å; N427-R429 PolarHBondContact O-N 2.93Å; N427-R429 VanDerWaalsContact OD1-CZ 3.3Å; N427-R429 PolarHBondContact OD1-NH1 3.07Å; N427-R429 PolarHBondContact OD1-NH2 3.41Å; N427-F430 HydrophobicContact CB-CD2 3.86Å; N427-F430 HydrophobicContact CB-CE2 4.21Å; N427-F430 PolarHBondContact O-N 2.84Å | ||
| 428 | R | 93.3 | Very high | 90.1 | Very high | 20 Ų | 20 | 54.7 Ų | 54.7 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -63.1 | -27 | -179.9 | -64 | -172.2 | 57.6 | 65.5 | 17.2 | 112.8 | A207 E210 A267 F268 D424 L426 F430 S431 | A207-R428 VanDerWaalsContact CA-NH2 3.27Å; A207-R428 VanDerWaalsContact CB-NH2 3.29Å; A207-R428 PolarHBondContact O-NH1 3.29Å; E210-R428 IonicContact OE2-CZ 2.74Å; E210-R428 VanDerWaalsContact OE2-CZ 3.27Å; E210-R428 IonicContact OE2-NH1 3.66Å; E210-R428 PolarHBondContact OE2-NH1 3.37Å; E210-R428 IonicContact OE2-NH2 3.93Å; E210-R428 PolarHBondContact OE2-NH2 2.73Å; A267-R428 VanDerWaalsContact O-CZ 3.26Å; A267-R428 PolarHBondContact O-NE 2.86Å; A267-R428 PolarHBondContact O-NH2 2.99Å; F268-R428 HydrophobicContact CB-CB 4.19Å; F268-R428 WeakPolarHBondContact CB-O 3.32Å; F268-R428 HydrophobicContact CD2-CB 3.99Å; D424-R428 PolarHBondContact OD1-N 2.98Å; D424-R428 PolarHBondContact OD2-N 2.9Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 HydrophobicContact CB-CG 4.37Å; L426-R428 PolarHBondContact O-N 3.5Å; R428-F430 PolarHBondContact O-N 3.15Å; R428-S431 WeakPolarHBondContact O-CB 3.36Å; R428-S431 PolarHBondContact O-N 3.41Å; R428-S431 PolarHBondContact O-OG 3.06Å |
| 429 | R | 93.5 | Very high | 90 | Very high | 48 Ų | 48 | 56.1 Ų | 56.1 | 18% | 0.181 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -55.3 | -15.8 | 175.6 | 71.5 | -171.8 | 174 | -77.9 | -4.3 | 114.8 | F268 F341 D424 N427 | F268-R429 HydrophobicContact CD1-CB 4.21Å; F268-R429 HydrophobicContact CD2-CB 4.37Å; F268-R429 HydrophobicContact CE1-CB 3.96Å; F268-R429 HydrophobicContact CE2-CB 4.12Å; F268-R429 HydrophobicContact CG-CB 4.4Å; F268-R429 HydrophobicContact CZ-CB 3.9Å; F341-R429 HydrophobicContact CD1-CB 3.85Å; F341-R429 HydrophobicContact CD1-CG 4.43Å; F341-R429 HydrophobicContact CE1-CB 4.29Å; D424-R429 PolarHBondContact O-NH1 3.38Å; D424-R429 WeakPolarHBondContact OD2-CB 3.39Å; D424-R429 WeakPolarHBondContact OD2-CG 3.4Å; D424-R429 IonicContact OD2-CZ 2.9Å; D424-R429 PolarHBondContact OD2-N 3.47Å; D424-R429 IonicContact OD2-NH1 3.6Å; D424-R429 PolarHBondContact OD2-NH1 3.32Å; N427-R429 PolarHBondContact O-N 2.93Å; N427-R429 VanDerWaalsContact OD1-CZ 3.3Å; N427-R429 PolarHBondContact OD1-NH1 3.07Å; N427-R429 PolarHBondContact OD1-NH2 3.41Å |
| 430 | F | 92.1 | Very high | 90 | Very high | 98 Ų | 98 | 54.2 Ų | 54.2 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -94.9 | 13 | 178.1 | -61.3 | -44.7 | 0 | 0 | 0 | 113.6 | N427 R428 T432 N433 | N427-F430 HydrophobicContact CB-CD2 3.86Å; N427-F430 HydrophobicContact CB-CE2 4.21Å; N427-F430 PolarHBondContact O-N 2.84Å; R428-F430 PolarHBondContact O-N 3.15Å; F430-T432 PolarHBondContact O-N 2.98Å; F430-N433 WeakPolarHBondContact CB-ND2 3.43Å; F430-N433 VanDerWaalsContact CD1-ND2 3.34Å; F430-N433 WeakPolarHBondContact CD1-ND2 3.49Å; F430-N433 WeakPolarHBondContact O-CB 3.33Å; F430-N433 PolarHBondContact O-N 3.06Å |
| 431 | S | 86.9 | Confident | 90.1 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -29.4 | -179.5 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | F268 R428 | F268-S431 WeakPolarHBondContact O-CB 3.42Å; F268-S431 PolarHBondContact O-OG 2.98Å; R428-S431 WeakPolarHBondContact O-CB 3.36Å; R428-S431 PolarHBondContact O-N 3.41Å; R428-S431 PolarHBondContact O-OG 3.06Å |
| 432 | T | 87.8 | Confident | 90.2 | Very high | 57 Ų | 57 | 51 Ų | 51 | 35% | 0.35 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -3.2 | 177.9 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | V270 E271 V276 F430 | V270-T432 WeakPolarHBondContact O-CG2 3.49Å; E271-T432 WeakPolarHBondContact O-CA 3.28Å; V276-T432 HydrophobicContact CG2-CG2 4.34Å; F430-T432 PolarHBondContact O-N 2.98Å |
| 433 | N | 86.3 | Confident | 90.4 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -65.3 | 148.5 | 178 | -76.2 | -5.8 | 0 | 0 | 0 | 111 | F430 K435 | F430-N433 WeakPolarHBondContact CB-ND2 3.43Å; F430-N433 VanDerWaalsContact CD1-ND2 3.34Å; F430-N433 WeakPolarHBondContact CD1-ND2 3.49Å; F430-N433 WeakPolarHBondContact O-CB 3.33Å; F430-N433 PolarHBondContact O-N 3.06Å; N433-K435 PolarHBondContact O-N 3Å |
| 434 | F | 77.8 | Confident | 90.4 | Very high | 183 Ų | 183 | 48.7 Ų | 48.7 | 80% | 0.803 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 127.6 | 176.6 | 178 | -96.3 | 0 | 0 | 0 | 111.2 | ||
| 435 | K | 73.4 | Confident | 90.5 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 32% | 0.317 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -103 | 137.2 | 176.1 | -60.4 | -179.3 | -174.5 | 168 | 0 | 109 | E271 N433 R555 | E271-K435 IonicContact OE1-NZ 3.11Å; E271-K435 PolarHBondContact OE1-NZ 2.99Å; E271-K435 IonicContact OE2-NZ 3.85Å; E271-K435 PolarHBondContact OE2-NZ 3.4Å; N433-K435 PolarHBondContact O-N 3Å; K435-R555 VanDerWaalsContact CD-CD 3.41Å; K435-R555 VanDerWaalsContact NZ-NE 3.15Å |
| 436 | P | 76.2 | Confident | 90.5 | Very high | 102 Ų | 102 | 47.1 Ų | 47.1 | 66% | 0.662 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -66.9 | 154.8 | -180 | 29 | -34.6 | 0 | 0 | 0 | 111.4 | V438 | P436-V438 PolarHBondContact O-N 2.83Š|
| 437 | D | 81 | Confident | 90.4 | Very high | 99 Ų | 99 | 49 Ų | 49 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 126.5 | 174.9 | -68.3 | -26.6 | 0 | 0 | 0 | 110.9 | R598 | D437-R598 IonicContact OD2-CZ 3.93Å; D437-R598 IonicContact OD2-NH1 2.83Å; D437-R598 PolarHBondContact OD2-NH1 3.43Å; D437-R598 IonicContact OD2-NH2 3.08Å; D437-R598 PolarHBondContact OD2-NH2 2.81Å |
| 438 | V | 91.5 | Very high | 90.4 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 132.6 | 176.5 | 178 | 0 | 0 | 0 | 0 | 109.4 | P436 V440 W554 P560 | P436-V438 PolarHBondContact O-N 2.83Å; V438-V440 HydrophobicContact CG1-CG2 4.45Å; V438-W554 HydrophobicContact CG1-CB 4.03Å; V438-W554 HydrophobicContact CG1-CG 4.4Å; V438-W554 HydrophobicContact CG2-CB 4.2Å; V438-P560 HydrophobicContact CG1-CG 3.58Å |
| 439 | V | 94.1 | Very high | 90.5 | Very high | 33 Ų | 33 | 51 Ų | 51 | 20% | 0.2 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 115.6 | 169.9 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | R598 Q600 | V439-R598 HydrophobicContact CG2-CB 4.22Å; V439-Q600 HydrophobicContact CG1-CB 3.9Å |
| 440 | V | 96 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.1 | 178.5 | -171.2 | 0 | 0 | 0 | 0 | 110 | V438 V442 L547 L550 P560 R598 V599 Q600 | V438-V440 HydrophobicContact CG1-CG2 4.45Å; V440-V442 HydrophobicContact CG1-CG2 4.49Å; V440-L547 HydrophobicContact CB-CD2 4.18Å; V440-L547 HydrophobicContact CG1-CD2 3.56Å; V440-L550 HydrophobicContact CG1-CB 4.45Å; V440-L550 HydrophobicContact CG1-CD1 3.76Å; V440-L550 HydrophobicContact CG2-CB 3.94Å; V440-P560 HydrophobicContact CB-CG 4.36Å; V440-P560 HydrophobicContact CG1-CB 4.43Å; V440-P560 HydrophobicContact CG1-CG 4.29Å; V440-P560 HydrophobicContact CG2-CG 4.06Å; V440-R598 PolarHBondContact N-O 2.73Å; V440-V599 HydrophobicContact CB-CG1 4.47Å; V440-V599 CarbonylContact O-C 3.49Å; V440-V599 VanDerWaalsContact O-CA 3.26Å; V440-V599 WeakPolarHBondContact O-CA 3.5Å; V440-Q600 PolarHBondContact O-N 2.85Å |
| 441 | Q | 96.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.1 | 176.3 | -60.9 | 175.2 | -60.4 | 0 | 0 | 108.9 | R559 P560 T561 L562 Q600 V607 T610 S611 | Q441-R559 HydrophobicContact CG-CB 4.07Å; Q441-R559 VanDerWaalsContact OE1-CB 3.27Å; Q441-P560 PolarHBondContact N-O 2.9Å; Q441-T561 HydrophobicContact CB-CG2 4.41Å; Q441-T561 CarbonylContact O-C 3.58Å; Q441-T561 WeakPolarHBondContact O-CA 3.42Å; Q441-T561 PolarHBondContact OE1-OG1 2.68Å; Q441-T561 VanDerWaalsContact OE1-OG1 3.09Å; Q441-L562 PolarHBondContact O-N 3.46Å; Q441-Q600 CarbonylContact C-O 3.6Å; Q441-Q600 WeakPolarHBondContact CA-O 3.2Å; Q441-V607 HydrophobicContact CB-CG1 4.35Å; Q441-V607 HydrophobicContact CG-CG1 4.37Å; Q441-T610 PolarHBondContact NE2-OG1 3.29Å; Q441-S611 PolarHBondContact OE1-OG 2.94Å |
| 442 | V | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 111.1 | -179.4 | -172.9 | 0 | 0 | 0 | 0 | 109 | V440 V444 L547 L562 F564 L589 V599 Q600 M601 S602 | V440-V442 HydrophobicContact CG1-CG2 4.49Å; V442-V444 HydrophobicContact CG1-CG2 4.19Å; V442-L547 HydrophobicContact CG2-CD2 3.76Å; V442-L562 WeakPolarHBondContact CA-O 3.43Å; V442-L562 HydrophobicContact CG1-CD2 4.21Å; V442-F564 HydrophobicContact CG1-CB 4.33Å; V442-L589 HydrophobicContact CG1-CD1 4.18Å; V442-L589 HydrophobicContact CG2-CD2 4.47Å; V442-V599 HydrophobicContact CG2-CB 4.47Å; V442-Q600 PolarHBondContact N-O 2.8Å; V442-M601 WeakPolarHBondContact O-CA 3.46Å; V442-S602 PolarHBondContact O-N 3.41Å; V442-S602 VanDerWaalsContact O-N 3.16Å |
| 443 | C | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 99.6 | 179.1 | -62.2 | 0 | 0 | 0 | 0 | 109.2 | L562 T563 F564 S602 L604 | C443-L562 PolarHBondContact N-O 3.38Å; C443-T563 WeakPolarHBondContact O-CA 3.4Å; C443-F564 PolarHBondContact O-N 2.84Å; C443-S602 WeakPolarHBondContact CA-O 3.29Å; C443-L604 HydrophobicContact CB-CB 4.3Å; C443-L604 HydrophobicContact CB-CD1 3.95Å |
| 444 | V | 96.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 127.5 | 178.6 | -174 | 0 | 0 | 0 | 0 | 109.2 | V442 V462 F564 I566 L586 M601 | V442-V444 HydrophobicContact CG1-CG2 4.19Å; V444-V462 HydrophobicContact CB-CG1 4.01Å; V444-V462 HydrophobicContact CG1-CG1 3.9Å; V444-F564 WeakPolarHBondContact CA-O 3.23Å; V444-I566 HydrophobicContact CG1-CD1 4.11Å; V444-I566 HydrophobicContact CG1-CG1 3.71Å; V444-L586 HydrophobicContact CG1-CD2 3.94Å; V444-L586 HydrophobicContact CG2-CD2 3.87Å; V444-M601 HydrophobicContact CB-CE 3.76Å; V444-M601 HydrophobicContact CG1-CE 4.48Å; V444-M601 HydrophobicContact CG2-CE 3.66Å; V444-M601 HydrophobicContact CG2-CG 4.27Å; V444-M601 HydrophobicContact CG2-SD 3.93Å |
| 445 | L | 96.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.8 | -178.7 | -59.3 | 179.2 | 0 | 0 | 0 | 110.8 | Q463 I465 V468 V473 T563 F564 P565 I566 | L445-Q463 CarbonylContact C-O 3.49Å; L445-Q463 WeakPolarHBondContact CA-O 3.45Å; L445-Q463 HydrophobicContact CD2-CB 4.08Å; L445-I465 HydrophobicContact CB-CG1 4.41Å; L445-I465 HydrophobicContact CD1-CG1 4.49Å; L445-V468 HydrophobicContact CD2-CG1 3.83Å; L445-V473 HydrophobicContact CD1-CG1 4.39Å; L445-V473 HydrophobicContact CD1-CG2 3.77Å; L445-T563 HydrophobicContact CD1-CG2 3.62Å; L445-T563 HydrophobicContact CG-CG2 4.21Å; L445-F564 PolarHBondContact N-O 3.33Å; L445-P565 CarbonylContact O-C 3.12Å; L445-P565 WeakPolarHBondContact O-CA 3.49Å; L445-I566 PolarHBondContact O-N 3.4Å |
| 446 | A | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S448 I451 K452 L455 V462 Q463 T464 I465 | A446-S448 VanDerWaalsContact C-N 3.28Å; A446-S448 PolarHBondContact O-N 3.02Å; A446-I451 HydrophobicContact CB-CB 4.32Å; A446-I451 HydrophobicContact CB-CG2 4.07Å; A446-K452 HydrophobicContact CB-CB 3.71Å; A446-L455 HydrophobicContact CB-CD1 4.5Å; A446-V462 HydrophobicContact CB-CG2 3.93Å; A446-Q463 PolarHBondContact N-O 3.44Å; A446-T464 HydrophobicContact CB-CG2 4.44Å; A446-T464 WeakPolarHBondContact O-CA 3.36Å; A446-I465 PolarHBondContact O-N 2.99Å |
| 447 | E | 93.3 | Very high | 95.1 | Very high | 98 Ų | 98 | 43.2 Ų | 43.2 | 46% | 0.458 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -63.4 | -34.1 | 174 | 174.1 | -176.8 | -136.2 | 0 | 0 | 112.1 | I451 I566 T567 R568 | E447-I451 HydrophobicContact CB-CD1 4.04Å; E447-I566 VanDerWaalsContact CB-O 3.32Å; E447-I566 WeakPolarHBondContact CB-O 3.44Å; E447-I566 PolarHBondContact N-O 3.48Å; E447-T567 HydrophobicContact CB-CG2 4.47Å; E447-T567 VanDerWaalsContact OE2-CA 3.25Å; E447-T567 WeakPolarHBondContact OE2-CA 3.46Å; E447-T567 WeakPolarHBondContact OE2-CB 3.48Å; E447-R568 PolarHBondContact OE2-N 3.26Å |
| 448 | S | 94.4 | Very high | 95.7 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 33% | 0.329 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -141.4 | 162.4 | -178.6 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | A446 K450 I451 K452 | A446-S448 VanDerWaalsContact C-N 3.28Å; A446-S448 PolarHBondContact O-N 3.02Å; S448-K450 VanDerWaalsContact C-N 3.27Å; S448-K450 PolarHBondContact O-N 3.24Å; S448-I451 PolarHBondContact O-N 3.2Å; S448-I451 VanDerWaalsContact O-N 3.16Å; S448-I451 WeakPolarHBondContact OG-CG1 3.29Å; S448-I451 PolarHBondContact OG-N 3.39Å; S448-K452 PolarHBondContact O-N 3.29Å |
| 449 | E | 95.9 | Very high | 95.8 | Very high | 89 Ų | 89 | 41.2 Ų | 41.2 | 42% | 0.416 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.5 | -37.8 | 175.8 | -162.2 | 61.4 | -152.1 | 0 | 0 | 111.4 | I451 K452 E453 T464 | E449-I451 VanDerWaalsContact C-N 3.32Å; E449-I451 PolarHBondContact O-N 3.46Å; E449-K452 WeakPolarHBondContact O-CB 3.37Å; E449-K452 PolarHBondContact O-N 3.37Å; E449-K452 VanDerWaalsContact O-N 3.13Å; E449-K452 IonicContact OE1-NZ 2.64Å; E449-E453 WeakPolarHBondContact O-CG 3.33Å; E449-E453 PolarHBondContact O-N 2.62Å; E449-T464 WeakPolarHBondContact OE2-CG2 3.36Å |
| 450 | K | 95.3 | Very high | 95.8 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.6 | -46.8 | 174.7 | -175.7 | -178.7 | -177.3 | -170.3 | 0 | 111.2 | S448 K452 E453 L454 G575 E576 | S448-K450 VanDerWaalsContact C-N 3.27Å; S448-K450 PolarHBondContact O-N 3.24Å; K450-K452 VanDerWaalsContact C-N 3.34Å; K450-K452 PolarHBondContact O-N 3.27Å; K450-E453 PolarHBondContact O-N 2.88Å; K450-L454 WeakPolarHBondContact O-CG 3.32Å; K450-L454 PolarHBondContact O-N 2.86Å; K450-L454 VanDerWaalsContact O-N 3.08Å; K450-G575 PolarHBondContact NZ-O 2.79Å; K450-E576 IonicContact NZ-OE1 3.81Å; K450-E576 PolarHBondContact NZ-OE1 3.01Å |
| 451 | I | 96.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | -179.8 | -68.1 | 167.6 | 0 | 0 | 0 | 110.9 | A446 E447 S448 E449 E453 L454 L455 I566 L571 I578 | A446-I451 HydrophobicContact CB-CB 4.32Å; A446-I451 HydrophobicContact CB-CG2 4.07Å; E447-I451 HydrophobicContact CB-CD1 4.04Å; S448-I451 PolarHBondContact O-N 3.2Å; S448-I451 VanDerWaalsContact O-N 3.16Å; S448-I451 WeakPolarHBondContact OG-CG1 3.29Å; S448-I451 PolarHBondContact OG-N 3.39Å; E449-I451 VanDerWaalsContact C-N 3.32Å; E449-I451 PolarHBondContact O-N 3.46Å; I451-E453 VanDerWaalsContact C-N 3.33Å; I451-E453 PolarHBondContact O-N 2.91Å; I451-L454 PolarHBondContact O-N 3.49Å; I451-L455 HydrophobicContact CG2-CD1 3.95Å; I451-L455 HydrophobicContact CG2-CG 4.45Å; I451-L455 WeakPolarHBondContact O-CG 3.37Å; I451-L455 PolarHBondContact O-N 3.34Å; I451-I566 HydrophobicContact CG2-CB 4.04Å; I451-I566 HydrophobicContact CG2-CG2 3.74Å; I451-L571 HydrophobicContact CG1-CD1 4.41Å; I451-I578 HydrophobicContact CG2-CD1 4.35Å |
| 452 | K | 96.7 | Very high | 95.6 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 15% | 0.152 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -42.6 | 175.1 | -179.5 | 174 | 167.7 | -166.7 | 0 | 111.9 | A446 S448 E449 K450 L455 R456 V462 T464 E467 | A446-K452 HydrophobicContact CB-CB 3.71Å; S448-K452 PolarHBondContact O-N 3.29Å; E449-K452 WeakPolarHBondContact O-CB 3.37Å; E449-K452 PolarHBondContact O-N 3.37Å; E449-K452 VanDerWaalsContact O-N 3.13Å; E449-K452 IonicContact OE1-NZ 2.64Å; K450-K452 VanDerWaalsContact C-N 3.34Å; K450-K452 PolarHBondContact O-N 3.27Å; K452-L455 PolarHBondContact O-N 3.45Å; K452-R456 WeakPolarHBondContact O-CB 3.2Å; K452-R456 PolarHBondContact O-N 3.15Å; K452-V462 WeakPolarHBondContact CE-O 3.48Å; K452-V462 HydrophobicContact CG-CG2 4.3Å; K452-T464 HydrophobicContact CB-CG2 4.19Å; K452-T464 HydrophobicContact CD-CG2 3.51Å; K452-T464 HydrophobicContact CG-CG2 4.49Å; K452-E467 IonicContact NZ-OE1 3.33Å; K452-E467 PolarHBondContact NZ-OE1 3.49Å; K452-E467 IonicContact NZ-OE2 3.4Å; K452-E467 PolarHBondContact NZ-OE2 3.07Å |
| 453 | E | 96.8 | Very high | 95.6 | Very high | 89 Ų | 89 | 46.7 Ų | 46.7 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.5 | -65 | -173.2 | 145.2 | 0 | 0 | 111.6 | E449 K450 I451 L455 R456 D457 | E449-E453 WeakPolarHBondContact O-CG 3.33Å; E449-E453 PolarHBondContact O-N 2.62Å; K450-E453 PolarHBondContact O-N 2.88Å; I451-E453 VanDerWaalsContact C-N 3.33Å; I451-E453 PolarHBondContact O-N 2.91Å; E453-L455 PolarHBondContact O-N 3.3Å; E453-R456 WeakPolarHBondContact O-CB 3.24Å; E453-R456 PolarHBondContact O-N 3.1Å; E453-R456 IonicContact OE1-NH2 3.76Å; E453-D457 WeakPolarHBondContact O-CB 3.13Å; E453-D457 VanDerWaalsContact O-CG 3.25Å; E453-D457 PolarHBondContact O-N 3.46Å |
| 454 | L | 96.7 | Very high | 95.5 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 15% | 0.152 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.5 | -68.2 | 177.3 | 0 | 0 | 0 | 112.9 | K450 I451 A458 L571 E576 I578 | K450-L454 WeakPolarHBondContact O-CG 3.32Å; K450-L454 PolarHBondContact O-N 2.86Å; K450-L454 VanDerWaalsContact O-N 3.08Å; I451-L454 PolarHBondContact O-N 3.49Å; L454-A458 WeakPolarHBondContact O-CB 3.48Å; L454-A458 PolarHBondContact O-N 3.1Å; L454-A458 VanDerWaalsContact O-N 3.14Å; L454-L571 HydrophobicContact CD1-CD1 4.36Å; L454-L571 HydrophobicContact CD1-CD2 4.22Å; L454-E576 WeakPolarHBondContact CD2-O 3.21Å; L454-I578 HydrophobicContact CB-CD1 4.13Å; L454-I578 HydrophobicContact CB-CG1 4.16Å |
| 455 | L | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.4 | -74.8 | 166.8 | 0 | 0 | 0 | 111.5 | A446 I451 K452 E453 D457 A458 G459 V460 V462 I566 I578 L586 | A446-L455 HydrophobicContact CB-CD1 4.5Å; I451-L455 HydrophobicContact CG2-CD1 3.95Å; I451-L455 HydrophobicContact CG2-CG 4.45Å; I451-L455 WeakPolarHBondContact O-CG 3.37Å; I451-L455 PolarHBondContact O-N 3.34Å; K452-L455 PolarHBondContact O-N 3.45Å; E453-L455 PolarHBondContact O-N 3.3Å; L455-D457 VanDerWaalsContact C-N 3.35Å; L455-D457 PolarHBondContact O-N 2.95Å; L455-A458 CarbonylContact O-C 3.55Å; L455-A458 WeakPolarHBondContact O-CA 3.49Å; L455-A458 WeakPolarHBondContact O-CB 3.29Å; L455-A458 PolarHBondContact O-N 2.77Å; L455-A458 VanDerWaalsContact O-N 3.11Å; L455-G459 PolarHBondContact O-N 3.33Å; L455-V460 CarbonylContact C-O 3.58Å; L455-V460 HydrophobicContact CB-CB 4.45Å; L455-V460 PolarHBondContact O-N 2.96Å; L455-V460 VanDerWaalsContact O-O 3.1Å; L455-V462 HydrophobicContact CB-CG2 4.37Å; L455-V462 HydrophobicContact CD1-CG1 4.34Å; L455-V462 HydrophobicContact CD1-CG2 3.65Å; L455-I566 HydrophobicContact CD1-CB 4.2Å; L455-I566 HydrophobicContact CD1-CG1 4.04Å; L455-I566 HydrophobicContact CD1-CG2 4.43Å; L455-I578 HydrophobicContact CD2-CD1 3.8Å; L455-I578 HydrophobicContact CD2-CG1 3.91Å; L455-I578 HydrophobicContact CG-CD1 3.81Å; L455-I578 HydrophobicContact CG-CG1 4.23Å; L455-L586 HydrophobicContact CD2-CD1 3.53Å |
| 456 | R | 96.4 | Very high | 95 | Very high | 123 Ų | 123 | 54.6 Ų | 54.6 | 46% | 0.464 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 176.7 | -178.2 | -176 | 65.5 | -145.5 | -2.1 | 111.5 | K452 E453 A458 G459 V460 | K452-R456 WeakPolarHBondContact O-CB 3.2Å; K452-R456 PolarHBondContact O-N 3.15Å; E453-R456 WeakPolarHBondContact O-CB 3.24Å; E453-R456 PolarHBondContact O-N 3.1Å; E453-R456 IonicContact OE1-NH2 3.76Å; R456-A458 PolarHBondContact O-N 2.94Å; R456-G459 PolarHBondContact O-N 3.23Å; R456-V460 WeakPolarHBondContact CA-O 3.16Å; R456-V460 PolarHBondContact N-O 2.8Å |
| 457 | D | 95 | Very high | 94.8 | Very high | 128 Ų | 128 | 59 Ų | 59 | 68% | 0.684 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.6 | -28.3 | 177.5 | -69 | -6.2 | 0 | 0 | 0 | 111.8 | E453 L455 G459 | E453-D457 WeakPolarHBondContact O-CB 3.13Å; E453-D457 VanDerWaalsContact O-CG 3.25Å; E453-D457 PolarHBondContact O-N 3.46Å; L455-D457 VanDerWaalsContact C-N 3.35Å; L455-D457 PolarHBondContact O-N 2.95Å; D457-G459 VanDerWaalsContact C-N 3.29Å |
| 458 | A | 93.7 | Very high | 94.8 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 0 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L454 L455 R456 L583 R587 | L454-A458 WeakPolarHBondContact O-CB 3.48Å; L454-A458 PolarHBondContact O-N 3.1Å; L454-A458 VanDerWaalsContact O-N 3.14Å; L455-A458 CarbonylContact O-C 3.55Å; L455-A458 WeakPolarHBondContact O-CA 3.49Å; L455-A458 WeakPolarHBondContact O-CB 3.29Å; L455-A458 PolarHBondContact O-N 2.77Å; L455-A458 VanDerWaalsContact O-N 3.11Å; R456-A458 PolarHBondContact O-N 2.94Å; A458-L583 HydrophobicContact CB-CD1 3.59Å; A458-L583 HydrophobicContact CB-CD2 3.98Å; A458-L583 HydrophobicContact CB-CG 4.46Å; A458-R587 PolarHBondContact O-NH2 3.24Å |
| 459 | G | 93.9 | Very high | 94.6 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 58% | 0.577 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | 5.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L455 R456 D457 | L455-G459 PolarHBondContact O-N 3.33Å; R456-G459 PolarHBondContact O-N 3.23Å; D457-G459 VanDerWaalsContact C-N 3.29Å |
| 460 | V | 94.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | trans | -107.1 | 121 | -176 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | L455 R456 V462 L583 L586 M601 | L455-V460 CarbonylContact C-O 3.58Å; L455-V460 HydrophobicContact CB-CB 4.45Å; L455-V460 PolarHBondContact O-N 2.96Å; L455-V460 VanDerWaalsContact O-O 3.1Å; R456-V460 WeakPolarHBondContact CA-O 3.16Å; R456-V460 PolarHBondContact N-O 2.8Å; V460-V462 HydrophobicContact CG1-CG1 4.05Å; V460-L583 HydrophobicContact CG2-CD1 4.13Å; V460-L586 HydrophobicContact CG1-CD1 4.44Å; V460-L586 HydrophobicContact CG2-CB 4.4Å; V460-M601 HydrophobicContact CG1-CE 3.62Å | ||
| 461 | T | 94.1 | Very high | 94.2 | Very high | 111 Ų | 111 | 53.9 Ų | 53.9 | 68% | 0.681 | 30% | 0.303 | S | S | * | . | trans | -95.7 | 128.5 | 179 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 462 | V | 95.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | trans | -142.2 | 161.6 | -179.3 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | V444 A446 K452 L455 V460 M601 | V444-V462 HydrophobicContact CB-CG1 4.01Å; V444-V462 HydrophobicContact CG1-CG1 3.9Å; A446-V462 HydrophobicContact CB-CG2 3.93Å; K452-V462 WeakPolarHBondContact CE-O 3.48Å; K452-V462 HydrophobicContact CG-CG2 4.3Å; L455-V462 HydrophobicContact CB-CG2 4.37Å; L455-V462 HydrophobicContact CD1-CG1 4.34Å; L455-V462 HydrophobicContact CD1-CG2 3.65Å; V460-V462 HydrophobicContact CG1-CG1 4.05Å; V462-M601 HydrophobicContact CG1-CE 4.03Å | ||
| 463 | Q | 96.1 | Very high | 94 | Very high | 31 Ų | 31 | 55.7 Ų | 55.7 | 15% | 0.145 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 152.7 | 171.1 | -52 | -175.6 | -83.6 | 0 | 0 | 110.5 | L445 A446 E467 V468 L604 | L445-Q463 CarbonylContact C-O 3.49Å; L445-Q463 WeakPolarHBondContact CA-O 3.45Å; L445-Q463 HydrophobicContact CD2-CB 4.08Å; A446-Q463 PolarHBondContact N-O 3.44Å; Q463-E467 WeakPolarHBondContact CA-OE2 3.45Å; Q463-E467 HydrophobicContact CB-CB 4.45Å; Q463-V468 HydrophobicContact CB-CG1 3.92Å; Q463-L604 VanDerWaalsContact OE1-N 3.11Å |
| 464 | T | 95.6 | Very high | 93.8 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 161.3 | 167 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | A446 E449 K452 S466 E467 V468 | A446-T464 HydrophobicContact CB-CG2 4.44Å; A446-T464 WeakPolarHBondContact O-CA 3.36Å; E449-T464 WeakPolarHBondContact OE2-CG2 3.36Å; K452-T464 HydrophobicContact CB-CG2 4.19Å; K452-T464 HydrophobicContact CD-CG2 3.51Å; K452-T464 HydrophobicContact CG-CG2 4.49Å; T464-S466 PolarHBondContact O-N 3.23Å; T464-S466 PolarHBondContact OG1-N 3.48Å; T464-E467 PolarHBondContact N-OE2 3.22Å; T464-E467 PolarHBondContact O-N 3.34Å; T464-E467 VanDerWaalsContact O-N 3.09Å; T464-E467 VanDerWaalsContact OG1-CG 3.28Å; T464-E467 WeakPolarHBondContact OG1-CG 3.34Å; T464-E467 PolarHBondContact OG1-N 3Å; T464-V468 PolarHBondContact O-N 2.92Å |
| 465 | I | 91.4 | Very high | 93.5 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 32% | 0.323 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33 | 173.4 | -62.3 | 173.6 | 0 | 0 | 0 | 111.6 | L445 A446 V468 V473 | L445-I465 HydrophobicContact CB-CG1 4.41Å; L445-I465 HydrophobicContact CD1-CG1 4.49Å; A446-I465 PolarHBondContact O-N 2.99Å; I465-V468 WeakPolarHBondContact O-CG2 3.33Å; I465-V473 HydrophobicContact CG2-CB 4.38Å |
| 466 | S | 90.2 | Very high | 93.2 | Very high | 100 Ų | 100 | 52.7 Ų | 52.7 | 70% | 0.699 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -28.1 | 178.1 | -55 | 0 | 0 | 0 | 0 | 113.4 | T464 | T464-S466 PolarHBondContact O-N 3.23Å; T464-S466 PolarHBondContact OG1-N 3.48Å |
| 467 | E | 93.7 | Very high | 92.8 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -20.9 | -178.5 | -76.9 | 174.9 | 151.3 | 0 | 0 | 113.9 | K452 Q463 T464 M469 | K452-E467 IonicContact NZ-OE1 3.33Å; K452-E467 PolarHBondContact NZ-OE1 3.49Å; K452-E467 IonicContact NZ-OE2 3.4Å; K452-E467 PolarHBondContact NZ-OE2 3.07Å; Q463-E467 WeakPolarHBondContact CA-OE2 3.45Å; Q463-E467 HydrophobicContact CB-CB 4.45Å; T464-E467 PolarHBondContact N-OE2 3.22Å; T464-E467 PolarHBondContact O-N 3.34Å; T464-E467 VanDerWaalsContact O-N 3.09Å; T464-E467 VanDerWaalsContact OG1-CG 3.28Å; T464-E467 WeakPolarHBondContact OG1-CG 3.34Å; T464-E467 PolarHBondContact OG1-N 3Å; E467-M469 VanDerWaalsContact C-N 3.29Å; E467-M469 PolarHBondContact O-N 2.93Å |
| 468 | V | 93.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -0.6 | -178.2 | -63.3 | 0 | 0 | 0 | 0 | 114.2 | L445 Q463 T464 I465 I471 V473 L604 | L445-V468 HydrophobicContact CD2-CG1 3.83Å; Q463-V468 HydrophobicContact CB-CG1 3.92Å; T464-V468 PolarHBondContact O-N 2.92Å; I465-V468 WeakPolarHBondContact O-CG2 3.33Å; V468-I471 VanDerWaalsContact O-CB 3.32Å; V468-I471 WeakPolarHBondContact O-CB 3.48Å; V468-I471 WeakPolarHBondContact O-CG1 3.41Å; V468-I471 PolarHBondContact O-N 3.49Å; V468-V473 HydrophobicContact CG2-CG2 3.83Å; V468-L604 HydrophobicContact CB-CD2 4.04Å; V468-L604 HydrophobicContact CG1-CB 4.1Å; V468-L604 HydrophobicContact CG1-CD2 4.16Å; V468-L604 HydrophobicContact CG2-CD2 4.21Å |
| 469 | M | 89.4 | Confident | 92.4 | Very high | 112 Ų | 112 | 40.4 Ų | 40.4 | 55% | 0.552 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 137.4 | 173.7 | -71.4 | -65.3 | -72.9 | 0 | 0 | 110.8 | E467 R472 | E467-M469 VanDerWaalsContact C-N 3.29Å; E467-M469 PolarHBondContact O-N 2.93Å; M469-R472 HydrophobicContact SD-CG 4.27Å |
| 470 | P | 90.4 | Very high | 92.3 | Very high | 105 Ų | 105 | 37.8 Ų | 37.8 | 68% | 0.682 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -87 | 5.2 | 17.3 | 35.4 | -37.5 | 0 | 0 | 0 | 115.9 | R472 | P470-R472 PolarHBondContact O-N 3.14Š|
| 471 | I | 93.9 | Very high | 92 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -73.1 | 119.1 | 176.5 | -45.9 | 165.1 | 0 | 0 | 0 | 108.6 | V468 F510 I519 L604 Q608 | V468-I471 VanDerWaalsContact O-CB 3.32Å; V468-I471 WeakPolarHBondContact O-CB 3.48Å; V468-I471 WeakPolarHBondContact O-CG1 3.41Å; V468-I471 PolarHBondContact O-N 3.49Å; I471-F510 HydrophobicContact CD1-CE1 4.22Å; I471-F510 HydrophobicContact CG2-CD1 4.45Å; I471-F510 HydrophobicContact CG2-CE1 3.92Å; I471-I519 HydrophobicContact CG2-CG2 4.2Å; I471-L604 HydrophobicContact CB-CD2 4.32Å; I471-L604 HydrophobicContact CD1-CD2 3.97Å; I471-L604 HydrophobicContact CD1-CG 3.83Å; I471-L604 HydrophobicContact CG2-CD2 3.94Å; I471-Q608 HydrophobicContact CD1-CG 4.36Å; I471-Q608 VanDerWaalsContact CG1-NE2 3.28Å |
| 472 | R | 93.1 | Very high | 91.8 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 21% | 0.208 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 120.6 | 178.5 | -68.4 | -173.9 | 176 | -172.7 | 5.5 | 110.5 | M469 P470 M474 S517 Y518 I519 D655 | M469-R472 HydrophobicContact SD-CG 4.27Å; P470-R472 PolarHBondContact O-N 3.14Å; R472-M474 HydrophobicContact CB-CE 4.06Å; R472-S517 PolarHBondContact N-O 3.37Å; R472-Y518 HydrophobicContact CB-CD1 3.7Å; R472-Y518 HydrophobicContact CB-CE1 3.9Å; R472-Y518 HydrophobicContact CB-CG 4.35Å; R472-Y518 HydrophobicContact CG-CE1 4.35Å; R472-Y518 PolarHBondContact NH1-OH 3Å; R472-Y518 CarbonylContact O-C 3.54Å; R472-Y518 WeakPolarHBondContact O-CA 3.24Å; R472-I519 PolarHBondContact O-N 3.4Å; R472-D655 IonicContact CZ-OD1 3.96Å; R472-D655 IonicContact NH1-OD1 2.94Å; R472-D655 PolarHBondContact NH1-OD1 3.02Å; R472-D655 IonicContact NH1-OD2 3.51Å; R472-D655 IonicContact NH2-OD1 2.77Å; R472-D655 PolarHBondContact NH2-OD1 3.35Å; R472-D655 IonicContact NH2-OD2 3.24Å; R472-D655 PolarHBondContact NH2-OD2 2.82Å |
| 473 | V | 93.7 | Very high | 91.6 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.3 | 174 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | L445 I465 V468 I519 T521 T563 L604 | L445-V473 HydrophobicContact CD1-CG1 4.39Å; L445-V473 HydrophobicContact CD1-CG2 3.77Å; I465-V473 HydrophobicContact CG2-CB 4.38Å; V468-V473 HydrophobicContact CG2-CG2 3.83Å; V473-I519 WeakPolarHBondContact CA-O 3.48Å; V473-I519 HydrophobicContact CB-CG2 4.34Å; V473-I519 HydrophobicContact CG1-CG2 4.39Å; V473-I519 HydrophobicContact CG2-CG2 3.87Å; V473-T521 HydrophobicContact CG1-CG2 3.81Å; V473-T563 HydrophobicContact CG1-CG2 4.05Å; V473-L604 HydrophobicContact CG2-CD2 4.22Å |
| 474 | M | 92.9 | Very high | 91.4 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.2 | -176.4 | -66.9 | -65.6 | 165.5 | 0 | 0 | 111.4 | R472 Y518 I519 F520 T521 I658 L662 | R472-M474 HydrophobicContact CB-CE 4.06Å; M474-Y518 HydrophobicContact CG-CD1 4.19Å; M474-I519 PolarHBondContact N-O 3.13Å; M474-F520 HydrophobicContact CB-CD1 3.65Å; M474-F520 HydrophobicContact CB-CE1 3.58Å; M474-F520 HydrophobicContact CB-CZ 4.5Å; M474-F520 HydrophobicContact CG-CE1 4.39Å; M474-F520 CarbonylContact O-C 3.6Å; M474-F520 WeakPolarHBondContact O-CA 3.26Å; M474-T521 PolarHBondContact O-N 2.65Å; M474-I658 HydrophobicContact CE-CG2 4.33Å; M474-I658 HydrophobicContact SD-CG2 4.2Å; M474-L662 HydrophobicContact SD-CD1 4.06Å |
| 475 | P | 90.8 | Very high | 91 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 148.1 | 171.9 | -21.5 | 34.8 | 0 | 0 | 0 | 112.8 | R477 I478 F520 L662 | P475-R477 HydrophobicContact CB-CG 4.1Å; P475-R477 PolarHBondContact O-N 3.34Å; P475-R477 VanDerWaalsContact O-N 3.16Å; P475-I478 WeakPolarHBondContact O-CB 3.47Å; P475-I478 PolarHBondContact O-N 3.11Å; P475-F520 WeakPolarHBondContact O-CD1 3.33Å; P475-L662 HydrophobicContact CG-CD2 4.42Å |
| 476 | A | 90.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.2 | -36.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I478 L479 S480 T507 T521 Q523 | A476-I478 PolarHBondContact O-N 3.13Å; A476-I478 VanDerWaalsContact O-N 3.12Å; A476-L479 WeakPolarHBondContact O-CA 3.46Å; A476-L479 VanDerWaalsContact O-CB 3.28Å; A476-L479 WeakPolarHBondContact O-CB 3.41Å; A476-L479 PolarHBondContact O-N 3.42Å; A476-S480 PolarHBondContact O-N 3.15Å; A476-T507 HydrophobicContact CB-CG2 3.71Å; A476-T521 VanDerWaalsContact CB-O 3.27Å; A476-T521 WeakPolarHBondContact CB-O 3.22Å; A476-T521 PolarHBondContact N-O 3.39Å; A476-Q523 HydrophobicContact CB-CB 4.32Å |
| 477 | R | 86.8 | Confident | 91.1 | Very high | 18 Ų | 18 | 29.7 Ų | 29.7 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54 | -34.1 | 177.4 | 66.5 | 177.2 | -176.8 | -86 | 7 | 113.6 | P475 L479 S480 H481 D526 T665 | P475-R477 HydrophobicContact CB-CG 4.1Å; P475-R477 PolarHBondContact O-N 3.34Å; P475-R477 VanDerWaalsContact O-N 3.16Å; R477-L479 VanDerWaalsContact C-N 3.32Å; R477-L479 PolarHBondContact O-N 3.26Å; R477-S480 WeakPolarHBondContact O-CB 3.34Å; R477-S480 PolarHBondContact O-N 2.96Å; R477-H481 PolarHBondContact O-CD2 3.45Å; R477-H481 VanDerWaalsContact O-CD2 3.25Å; R477-H481 PolarHBondContact O-N 2.9Å; R477-D526 WeakPolarHBondContact CD-OD2 3.5Å; R477-D526 WeakPolarHBondContact CG-OD2 3.38Å; R477-D526 IonicContact CZ-OD2 2.73Å; R477-D526 IonicContact NE-OD2 3.31Å; R477-D526 VanDerWaalsContact NH1-CG 3.28Å; R477-D526 IonicContact NH1-OD1 2.86Å; R477-D526 PolarHBondContact NH1-OD1 3.41Å; R477-D526 VanDerWaalsContact NH1-OD1 3.14Å; R477-D526 IonicContact NH1-OD2 3.04Å; R477-D526 PolarHBondContact NH1-OD2 3.46Å; R477-T665 PolarHBondContact NH2-OG1 3.42Å |
| 478 | I | 90.3 | Very high | 91 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.5 | -38.1 | 179.2 | -58.4 | -58.6 | 0 | 0 | 0 | 110.4 | P475 A476 S480 H481 I482 F520 I658 L661 L662 | P475-I478 WeakPolarHBondContact O-CB 3.47Å; P475-I478 PolarHBondContact O-N 3.11Å; A476-I478 PolarHBondContact O-N 3.13Å; A476-I478 VanDerWaalsContact O-N 3.12Å; I478-S480 VanDerWaalsContact C-N 3.32Å; I478-S480 PolarHBondContact O-N 3.03Å; I478-H481 PolarHBondContact O-N 2.87Å; I478-I482 HydrophobicContact CG2-CD1 4.12Å; I478-I482 WeakPolarHBondContact O-CG1 3.4Å; I478-I482 PolarHBondContact O-N 2.93Å; I478-F520 HydrophobicContact CB-CE1 4.24Å; I478-F520 HydrophobicContact CG2-CE1 4.3Å; I478-I658 HydrophobicContact CG2-CD1 3.41Å; I478-I658 VanDerWaalsContact CG2-CD1 3.41Å; I478-I658 HydrophobicContact CG2-CG2 4.23Å; I478-L661 HydrophobicContact CD1-CB 3.77Å; I478-L661 HydrophobicContact CD1-CD1 4.36Å; I478-L662 HydrophobicContact CD1-CD2 4.05Å; I478-L662 HydrophobicContact CD1-CG 4.27Å; I478-L662 HydrophobicContact CG1-CD2 4.19Å |
| 479 | L | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.3 | -170.6 | 58.8 | 0 | 0 | 0 | 111.4 | A476 R477 H481 I482 Y483 I502 T507 Y511 F520 | A476-L479 WeakPolarHBondContact O-CA 3.46Å; A476-L479 VanDerWaalsContact O-CB 3.28Å; A476-L479 WeakPolarHBondContact O-CB 3.41Å; A476-L479 PolarHBondContact O-N 3.42Å; R477-L479 VanDerWaalsContact C-N 3.32Å; R477-L479 PolarHBondContact O-N 3.26Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 3.1Å; L479-I482 WeakPolarHBondContact O-CB 3.23Å; L479-I482 PolarHBondContact O-N 3.39Å; L479-Y483 HydrophobicContact CD1-CD2 3.82Å; L479-Y483 HydrophobicContact CD1-CE2 3.67Å; L479-Y483 HydrophobicContact CD2-CE2 4.47Å; L479-Y483 HydrophobicContact CG-CD2 3.93Å; L479-Y483 HydrophobicContact CG-CE2 3.98Å; L479-Y483 WeakPolarHBondContact O-CD2 3.27Å; L479-Y483 PolarHBondContact O-N 2.91Å; L479-I502 HydrophobicContact CB-CD1 4.03Å; L479-I502 HydrophobicContact CD2-CB 4.4Å; L479-I502 HydrophobicContact CD2-CD1 3.8Å; L479-I502 HydrophobicContact CD2-CG2 3.94Å; L479-I502 HydrophobicContact CG-CD1 3.47Å; L479-I502 VanDerWaalsContact CG-CD1 3.47Å; L479-T507 HydrophobicContact CD2-CG2 4.44Å; L479-Y511 HydrophobicContact CD1-CD1 4.08Å; L479-Y511 HydrophobicContact CD1-CE1 3.76Å; L479-Y511 HydrophobicContact CD1-CE2 4.32Å; L479-Y511 HydrophobicContact CD1-CG 4.48Å; L479-Y511 HydrophobicContact CD2-CE1 4.28Å; L479-Y511 HydrophobicContact CD2-CE2 3.8Å; L479-Y511 WeakPolarHBondContact CD2-OH 3.42Å; L479-F520 HydrophobicContact CB-CD1 3.67Å; L479-F520 HydrophobicContact CB-CD2 4.22Å; L479-F520 HydrophobicContact CB-CE1 3.72Å; L479-F520 HydrophobicContact CB-CE2 4.3Å; L479-F520 HydrophobicContact CB-CG 3.92Å; L479-F520 HydrophobicContact CB-CZ 4.05Å; L479-F520 HydrophobicContact CD1-CD2 4.01Å; L479-F520 HydrophobicContact CD1-CE1 4.29Å; L479-F520 HydrophobicContact CD1-CE2 3.57Å; L479-F520 HydrophobicContact CD1-CZ 3.72Å; L479-F520 HydrophobicContact CD2-CB 4.41Å; L479-F520 HydrophobicContact CD2-CD2 3.88Å; L479-F520 HydrophobicContact CD2-CE2 4.33Å; L479-F520 HydrophobicContact CD2-CG 4.05Å; L479-F520 HydrophobicContact CG-CD2 4.23Å; L479-F520 HydrophobicContact CG-CE2 4.24Å; L479-F520 HydrophobicContact CG-CG 4.38Å; L479-F520 HydrophobicContact CG-CZ 4.37Å |
| 480 | S | 90 | Very high | 91 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 175.3 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | A476 R477 I478 I482 Y483 V484 | A476-S480 PolarHBondContact O-N 3.15Å; R477-S480 WeakPolarHBondContact O-CB 3.34Å; R477-S480 PolarHBondContact O-N 2.96Å; I478-S480 VanDerWaalsContact C-N 3.32Å; I478-S480 PolarHBondContact O-N 3.03Å; S480-I482 PolarHBondContact O-N 2.79Å; S480-Y483 PolarHBondContact O-N 3.46Å; S480-V484 PolarHBondContact O-N 2.93Å |
| 481 | H | 88.3 | Confident | 91.1 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.7 | -75.6 | -69.2 | 0 | 0 | 0 | 113.2 | R477 I478 L479 V484 Y499 L661 | R477-H481 PolarHBondContact O-CD2 3.45Å; R477-H481 VanDerWaalsContact O-CD2 3.25Å; R477-H481 PolarHBondContact O-N 2.9Å; I478-H481 PolarHBondContact O-N 2.87Å; L479-H481 VanDerWaalsContact C-N 3.35Å; L479-H481 PolarHBondContact O-N 3.1Å; H481-V484 PolarHBondContact O-N 3.12Å; H481-Y499 AromaticContact CD2-CE2 3.94Å; H481-Y499 AromaticContact CE1-CE2 3.57Å; H481-Y499 AromaticContact CG-CE2 3.98Å; H481-Y499 AromaticContact ND1-CD2 3.98Å; H481-Y499 AromaticContact ND1-CE2 3.75Å; H481-Y499 AromaticContact NE2-CE2 3.69Å; H481-L661 HydrophobicContact CB-CD1 3.82Å |
| 482 | I | 90.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 174.1 | -74.9 | 162.8 | 0 | 0 | 0 | 110.5 | I478 L479 S480 V484 R485 I513 F520 L616 F618 L619 F654 I658 | I478-I482 HydrophobicContact CG2-CD1 4.12Å; I478-I482 WeakPolarHBondContact O-CG1 3.4Å; I478-I482 PolarHBondContact O-N 2.93Å; L479-I482 WeakPolarHBondContact O-CB 3.23Å; L479-I482 PolarHBondContact O-N 3.39Å; S480-I482 PolarHBondContact O-N 2.79Å; I482-V484 VanDerWaalsContact C-N 3.28Å; I482-V484 PolarHBondContact O-N 3.21Å; I482-R485 PolarHBondContact O-N 2.82Å; I482-I513 HydrophobicContact CD1-CD1 3.98Å; I482-F520 HydrophobicContact CD1-CE1 4.45Å; I482-F520 HydrophobicContact CD1-CZ 4.07Å; I482-L616 HydrophobicContact CG2-CD1 3.67Å; I482-F618 HydrophobicContact CG2-CZ 4.28Å; I482-L619 HydrophobicContact CG2-CD1 3.57Å; I482-F654 HydrophobicContact CD1-CZ 4.07Å; I482-F654 HydrophobicContact CG1-CE2 4.31Å; I482-F654 HydrophobicContact CG1-CZ 4.16Å; I482-I658 HydrophobicContact CD1-CD1 4.03Å; I482-I658 HydrophobicContact CG1-CD1 4.24Å |
| 483 | Y | 92.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.1 | -20.4 | -177.3 | -92.4 | -84.2 | 0 | 0 | 0 | 114.2 | L231 L479 S480 R485 L486 R497 I502 Y511 L616 | L231-Y483 HydrophobicContact CD2-CD1 4.34Å; L231-Y483 HydrophobicContact CD2-CD2 4.49Å; L231-Y483 HydrophobicContact CD2-CE1 3.89Å; L231-Y483 HydrophobicContact CD2-CE2 4.03Å; L231-Y483 HydrophobicContact CG-CE1 4.41Å; L479-Y483 HydrophobicContact CD1-CD2 3.82Å; L479-Y483 HydrophobicContact CD1-CE2 3.67Å; L479-Y483 HydrophobicContact CD2-CE2 4.47Å; L479-Y483 HydrophobicContact CG-CD2 3.93Å; L479-Y483 HydrophobicContact CG-CE2 3.98Å; L479-Y483 WeakPolarHBondContact O-CD2 3.27Å; L479-Y483 PolarHBondContact O-N 2.91Å; S480-Y483 PolarHBondContact O-N 3.46Å; Y483-R485 PolarHBondContact O-N 2.88Å; Y483-L486 HydrophobicContact CD1-CB 4.41Å; Y483-L486 HydrophobicContact CD1-CD2 3.81Å; Y483-L486 HydrophobicContact CE1-CD2 4.01Å; Y483-L486 VanDerWaalsContact O-CB 3.23Å; Y483-L486 WeakPolarHBondContact O-CB 3.37Å; Y483-L486 PolarHBondContact O-N 3.08Å; Y483-R497 VanDerWaalsContact O-CB 3.28Å; Y483-R497 WeakPolarHBondContact O-CB 3.46Å; Y483-I502 HydrophobicContact CD2-CD1 3.42Å; Y483-I502 VanDerWaalsContact CD2-CD1 3.42Å; Y483-I502 HydrophobicContact CE2-CD1 4.01Å; Y483-I502 HydrophobicContact CG-CD1 4.07Å; Y483-Y511 AromaticContact CE2-CE1 3.94Å; Y483-Y511 HydrophobicContact CE2-CE1 3.94Å; Y483-L616 HydrophobicContact CE2-CD1 4.35Å |
| 484 | V | 91.2 | Very high | 91.3 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 26% | 0.255 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.3 | -33.2 | 173.7 | 170 | 0 | 0 | 0 | 0 | 111.7 | S480 H481 I482 L486 R497 Y499 | S480-V484 PolarHBondContact O-N 2.93Å; H481-V484 PolarHBondContact O-N 3.12Å; I482-V484 VanDerWaalsContact C-N 3.28Å; I482-V484 PolarHBondContact O-N 3.21Å; V484-L486 VanDerWaalsContact C-N 3.27Å; V484-L486 PolarHBondContact O-N 2.83Å; V484-R497 WeakPolarHBondContact CA-O 3.35Å; V484-R497 PolarHBondContact O-N 2.97Å; V484-Y499 HydrophobicContact CG2-CD2 3.93Å; V484-Y499 HydrophobicContact CG2-CG 4.42Å |
| 485 | R | 87.4 | Confident | 91.3 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 11% | 0.106 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -18.7 | 178.9 | -59 | -60.7 | -168.9 | 174.9 | -1.3 | 113.7 | I482 Y483 G487 N488 F618 L619 S626 L627 D630 | I482-R485 PolarHBondContact O-N 2.82Å; Y483-R485 PolarHBondContact O-N 2.88Å; R485-G487 PolarHBondContact O-N 2.65Å; R485-N488 WeakPolarHBondContact O-CB 3.49Å; R485-N488 PolarHBondContact O-N 3.05Å; R485-F618 HydrophobicContact CB-CD2 4.38Å; R485-F618 HydrophobicContact CB-CE2 4.13Å; R485-L619 HydrophobicContact CB-CD2 4.22Å; R485-L619 HydrophobicContact CG-CD2 4.4Å; R485-S626 PolarHBondContact NH1-O 2.76Å; R485-S626 PolarHBondContact NH2-O 2.72Å; R485-L627 PolarHBondContact NH2-O 3.37Å; R485-D630 IonicContact CZ-OD2 3.82Å; R485-D630 IonicContact NH1-OD2 2.6Å; R485-D630 PolarHBondContact NH1-OD2 3.04Å; R485-D630 IonicContact NH2-OD2 3.98Å |
| 486 | L | 92.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 127.1 | -178.1 | 179.5 | 65.7 | 0 | 0 | 0 | 110.3 | Q166 F170 H229 Y483 V484 N488 G496 R497 F618 | Q166-L486 HydrophobicContact CG-CD1 4.22Å; Q166-L486 HydrophobicContact CG-CD2 4.47Å; Q166-L486 HydrophobicContact CG-CG 3.96Å; F170-L486 HydrophobicContact CE1-CD2 4.17Å; F170-L486 VanDerWaalsContact CE2-O 3.3Å; F170-L486 WeakPolarHBondContact CE2-O 3.41Å; F170-L486 HydrophobicContact CZ-CB 4.26Å; F170-L486 HydrophobicContact CZ-CD2 3.89Å; F170-L486 HydrophobicContact CZ-CG 3.89Å; F170-L486 WeakPolarHBondContact CZ-O 3.44Å; H229-L486 HydrophobicContact CB-CD2 3.95Å; Y483-L486 HydrophobicContact CD1-CB 4.41Å; Y483-L486 HydrophobicContact CD1-CD2 3.81Å; Y483-L486 HydrophobicContact CE1-CD2 4.01Å; Y483-L486 VanDerWaalsContact O-CB 3.23Å; Y483-L486 WeakPolarHBondContact O-CB 3.37Å; Y483-L486 PolarHBondContact O-N 3.08Å; V484-L486 VanDerWaalsContact C-N 3.27Å; V484-L486 PolarHBondContact O-N 2.83Å; L486-N488 VanDerWaalsContact C-N 3.31Å; L486-N488 PolarHBondContact O-N 3.38Å; L486-G496 CarbonylContact O-C 3.56Å; L486-G496 WeakPolarHBondContact O-CA 3.26Å; L486-R497 PolarHBondContact O-N 3.35Å; L486-F618 HydrophobicContact CB-CE1 4.28Å; L486-F618 HydrophobicContact CB-CE2 4.16Å; L486-F618 HydrophobicContact CB-CZ 4.03Å; L486-F618 HydrophobicContact CD1-CD1 3.59Å; L486-F618 HydrophobicContact CD1-CE1 3.76Å; L486-F618 HydrophobicContact CD1-CG 4.04Å; L486-F618 HydrophobicContact CD1-CZ 4.36Å; L486-F618 HydrophobicContact CG-CE1 4.48Å |
| 487 | G | 92 | Very high | 91.4 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 12% | 0.124 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | N167 R485 C489 | N167-G487 PolarHBondContact ND2-O 3.21Å; R485-G487 PolarHBondContact O-N 2.65Å; G487-C489 PolarHBondContact O-N 3.45Å |
| 488 | N | 91.8 | Very high | 91.6 | Very high | 55 Ų | 55 | 35 Ų | 35 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | trans | -60.8 | 132.7 | 172.6 | -175.6 | -81.7 | 0 | 0 | 0 | 110.7 | R485 L486 L494 S495 | R485-N488 WeakPolarHBondContact O-CB 3.49Å; R485-N488 PolarHBondContact O-N 3.05Å; L486-N488 VanDerWaalsContact C-N 3.31Å; L486-N488 PolarHBondContact O-N 3.38Å; N488-L494 WeakPolarHBondContact CA-O 3.44Å; N488-L494 PolarHBondContact ND2-O 2.81Å; N488-S495 PolarHBondContact ND2-O 3.49Å | ||
| 489 | C | 92.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -146.5 | 99.3 | 176.3 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | A163 G487 K491 L492 N493 L494 | A163-C489 HydrophobicContact CB-CB 3.75Å; G487-C489 PolarHBondContact O-N 3.45Å; C489-K491 VanDerWaalsContact C-N 3.27Å; C489-K491 PolarHBondContact O-N 2.95Å; C489-L492 HydrophobicContact CB-CB 4.29Å; C489-L492 PolarHBondContact O-N 3.12Å; C489-L492 VanDerWaalsContact O-N 3.13Å; C489-N493 PolarHBondContact O-N 3.17Å; C489-N493 VanDerWaalsContact O-N 3.11Å; C489-L494 HydrophobicContact CB-CB 4.21Å; C489-L494 HydrophobicContact CB-CD1 4.48Å; C489-L494 PolarHBondContact N-O 2.94Å; C489-L494 PolarHBondContact O-N 3Å |
| 490 | R | 89.2 | Confident | 91 | Very high | 138 Ų | 138 | 41 Ų | 41 | 52% | 0.521 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -55.7 | -36.8 | 178.8 | -66.9 | -179.3 | 176.3 | -172.4 | -9 | 113.5 | L492 N493 D629 | R490-L492 VanDerWaalsContact C-N 3.3Å; R490-L492 PolarHBondContact O-N 3.38Å; R490-N493 PolarHBondContact O-N 3.05Å; R490-N493 PolarHBondContact O-OD1 3.32Å; R490-D629 IonicContact CZ-OD2 2.74Å; R490-D629 IonicContact NH1-OD2 3.62Å; R490-D629 IonicContact NH2-OD2 2.82Å; R490-D629 PolarHBondContact NH2-OD2 3.46Å |
| 491 | K | 92.8 | Very high | 90.7 | Very high | 153 Ų | 153 | 42.3 Ų | 42.3 | 67% | 0.665 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -66.2 | -32.3 | -180 | -67.7 | 179.3 | -169.3 | 156 | 0 | 113.4 | D160 C489 | D160-K491 VanDerWaalsContact CG-NZ 3.29Å; D160-K491 IonicContact OD1-NZ 2.93Å; D160-K491 PolarHBondContact OD1-NZ 3.25Å; D160-K491 WeakPolarHBondContact OD2-CD 3.33Å; D160-K491 IonicContact OD2-NZ 3.24Å; D160-K491 PolarHBondContact OD2-NZ 3.36Å; C489-K491 VanDerWaalsContact C-N 3.27Å; C489-K491 PolarHBondContact O-N 2.95Å |
| 492 | L | 94.3 | Very high | 90.7 | Very high | 35 Ų | 35 | 39.6 Ų | 39.6 | 18% | 0.183 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -98.8 | 2.8 | -178.8 | -67.8 | -176.7 | 0 | 0 | 0 | 112.4 | V96 D160 F164 C489 R490 L494 | V96-L492 HydrophobicContact CG2-CB 4.22Å; V96-L492 WeakPolarHBondContact CG2-O 3.4Å; D160-L492 HydrophobicContact CB-CD1 4.3Å; D160-L492 WeakPolarHBondContact O-CD1 3.28Å; F164-L492 HydrophobicContact CB-CD1 4.11Å; C489-L492 HydrophobicContact CB-CB 4.29Å; C489-L492 PolarHBondContact O-N 3.12Å; C489-L492 VanDerWaalsContact O-N 3.13Å; R490-L492 VanDerWaalsContact C-N 3.3Å; R490-L492 PolarHBondContact O-N 3.38Å; L492-L494 HydrophobicContact CB-CD1 3.83Å; L492-L494 HydrophobicContact CB-CG 3.99Å; L492-L494 HydrophobicContact CD1-CD1 4Å; L492-L494 PolarHBondContact O-N 2.72Å |
| 493 | N | 94.8 | Very high | 90.7 | Very high | 122 Ų | 122 | 40.8 Ų | 40.8 | 65% | 0.652 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 37.5 | -171.9 | -57.6 | -41 | 0 | 0 | 0 | 113.3 | C489 R490 | C489-N493 PolarHBondContact O-N 3.17Å; C489-N493 VanDerWaalsContact O-N 3.11Å; R490-N493 PolarHBondContact O-N 3.05Å; R490-N493 PolarHBondContact O-OD1 3.32Å |
| 494 | L | 94.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -97.8 | 123.5 | 177.3 | -68.7 | 169.1 | 0 | 0 | 0 | 110.1 | V96 E100 F164 N167 N488 C489 L492 | V96-L494 HydrophobicContact CG2-CD1 4Å; V96-L494 HydrophobicContact CG2-CD2 3.63Å; V96-L494 HydrophobicContact CG2-CG 3.78Å; E100-L494 HydrophobicContact CB-CD2 4.34Å; E100-L494 WeakPolarHBondContact OE2-CA 3.34Å; F164-L494 HydrophobicContact CD2-CD1 4.31Å; N167-L494 HydrophobicContact CB-CD1 4.25Å; N167-L494 HydrophobicContact CB-CD2 4.24Å; N488-L494 WeakPolarHBondContact CA-O 3.44Å; N488-L494 PolarHBondContact ND2-O 2.81Å; C489-L494 HydrophobicContact CB-CB 4.21Å; C489-L494 HydrophobicContact CB-CD1 4.48Å; C489-L494 PolarHBondContact N-O 2.94Å; C489-L494 PolarHBondContact O-N 3Å; L492-L494 HydrophobicContact CB-CD1 3.83Å; L492-L494 HydrophobicContact CB-CG 3.99Å; L492-L494 HydrophobicContact CD1-CD1 4Å; L492-L494 PolarHBondContact O-N 2.72Å |
| 495 | S | 92.9 | Very high | 90.9 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 34% | 0.343 | 19% | 0.194 | S | C | . | . | trans | -73.2 | -25.1 | -177.8 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | E100 K103 N488 | E100-S495 VanDerWaalsContact OE1-CB 3.26Å; E100-S495 WeakPolarHBondContact OE1-CB 3.46Å; E100-S495 PolarHBondContact OE1-OG 3.07Å; E100-S495 PolarHBondContact OE2-N 2.86Å; E100-S495 VanDerWaalsContact OE2-N 3.08Å; E100-S495 PolarHBondContact OE2-OG 3.44Å; K103-S495 PolarHBondContact NZ-OG 3.34Å; N488-S495 PolarHBondContact ND2-O 3.49Å | ||
| 496 | G | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | 102.5 | -155.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K103 L486 | K103-G496 PolarHBondContact NZ-O 2.55Å; L486-G496 CarbonylContact O-C 3.56Å; L486-G496 WeakPolarHBondContact O-CA 3.26Å | ||
| 497 | R | 92.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -72 | 132.7 | -179.8 | -166.5 | -176.8 | 171.2 | -105.9 | 5.5 | 109.9 | F170 E234 Y483 V484 L486 R500 | F170-R497 HydrophobicContact CD1-CB 4.32Å; F170-R497 HydrophobicContact CD1-CG 3.93Å; F170-R497 HydrophobicContact CD2-CB 4.26Å; F170-R497 HydrophobicContact CE1-CB 3.85Å; F170-R497 HydrophobicContact CE1-CG 3.75Å; F170-R497 HydrophobicContact CE2-CB 3.79Å; F170-R497 HydrophobicContact CE2-CG 4.44Å; F170-R497 HydrophobicContact CG-CG 4.37Å; F170-R497 HydrophobicContact CZ-CB 3.56Å; F170-R497 HydrophobicContact CZ-CG 4.03Å; E234-R497 IonicContact OE1-NH2 3.92Å; E234-R497 PolarHBondContact OE1-NH2 3.44Å; Y483-R497 VanDerWaalsContact O-CB 3.28Å; Y483-R497 WeakPolarHBondContact O-CB 3.46Å; V484-R497 WeakPolarHBondContact CA-O 3.35Å; V484-R497 PolarHBondContact O-N 2.97Å; L486-R497 PolarHBondContact O-N 3.35Å; R497-R500 PolarHBondContact NH1-O 2.91Å |
| 498 | P | 89.8 | Confident | 91.6 | Very high | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.071 | 18% | 0.181 | C | C | . | . | trans | -58.8 | 147.4 | 169.1 | -23.3 | 35 | 0 | 0 | 0 | 111.1 | K103 R500 | K103-P498 HydrophobicContact CB-CG 3.76Å; K103-P498 HydrophobicContact CD-CG 4.35Å; K103-P498 HydrophobicContact CG-CG 4.45Å; P498-R500 PolarHBondContact O-N 3.37Å | ||
| 499 | Y | 86.6 | Confident | 91.7 | Very high | 92 Ų | 92 | 34.5 Ų | 34.5 | 36% | 0.361 | 17% | 0.168 | S | C | . | . | trans | -61.3 | 116 | 173.9 | -176.6 | -90.2 | 0 | 0 | 0 | 110 | H481 V484 | H481-Y499 AromaticContact CD2-CE2 3.94Å; H481-Y499 AromaticContact CE1-CE2 3.57Å; H481-Y499 AromaticContact CG-CE2 3.98Å; H481-Y499 AromaticContact ND1-CD2 3.98Å; H481-Y499 AromaticContact ND1-CE2 3.75Å; H481-Y499 AromaticContact NE2-CE2 3.69Å; V484-Y499 HydrophobicContact CG2-CD2 3.93Å; V484-Y499 HydrophobicContact CG2-CG 4.42Å | ||
| 500 | R | 83.9 | Confident | 91.9 | Very high | 37 Ų | 37 | 34 Ų | 34 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | trans | -148 | 144.8 | 177.2 | -63.3 | 179.4 | -171.2 | 162.7 | 11.8 | 108.3 | K103 E173 R497 P498 | K103-R500 PolarHBondContact O-NH2 3.03Å; E173-R500 IonicContact OE1-CZ 2.74Å; E173-R500 IonicContact OE1-NH1 2.86Å; E173-R500 PolarHBondContact OE1-NH1 2.92Å; E173-R500 IonicContact OE1-NH2 3.13Å; R497-R500 PolarHBondContact NH1-O 2.91Å; P498-R500 PolarHBondContact O-N 3.37Å | ||
| 501 | H | 83.3 | Confident | 92.2 | Very high | 27 Ų | 27 | 27.4 Ų | 27.4 | 13% | 0.125 | 14% | 0.14 | C | C | . | . | trans | -62 | 157.9 | 178.8 | -60.3 | -72.4 | 0 | 0 | 0 | 111.6 | E840 | H501-E840 IonicContact CE1-OE1 2.77Å; H501-E840 PolarHBondContact CE1-OE1 2.95Å; H501-E840 IonicContact ND1-OE1 3.14Å; H501-E840 PolarHBondContact ND1-OE1 3.21Å; H501-E840 IonicContact NE2-OE1 3.65Å | ||
| 502 | I | 89.1 | Confident | 92.2 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | trans | -115.3 | 124.2 | 178.2 | -64.1 | 171.7 | 0 | 0 | 0 | 107 | L231 L479 Y483 T507 | L231-I502 HydrophobicContact CD1-CG1 4.13Å; L231-I502 HydrophobicContact CD2-CD1 4.45Å; L231-I502 HydrophobicContact CD2-CG1 4.49Å; L231-I502 HydrophobicContact CD2-CG2 4.39Å; L479-I502 HydrophobicContact CB-CD1 4.03Å; L479-I502 HydrophobicContact CD2-CB 4.4Å; L479-I502 HydrophobicContact CD2-CD1 3.8Å; L479-I502 HydrophobicContact CD2-CG2 3.94Å; L479-I502 HydrophobicContact CG-CD1 3.47Å; L479-I502 VanDerWaalsContact CG-CD1 3.47Å; Y483-I502 HydrophobicContact CD2-CD1 3.42Å; Y483-I502 VanDerWaalsContact CD2-CD1 3.42Å; Y483-I502 HydrophobicContact CE2-CD1 4.01Å; Y483-I502 HydrophobicContact CG-CD1 4.07Å; I502-T507 HydrophobicContact CG2-CG2 4.27Å | ||
| 503 | G | 90.1 | Very high | 91.9 | Very high | 27 Ų | 27 | 21.5 Ų | 21.5 | 28% | 0.278 | 11% | 0.114 | S | C | . | . | trans | -76.1 | -171.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | D233 L505 G506 T507 | D233-G503 VanDerWaalsContact CG-CA 3.49Å; D233-G503 WeakPolarHBondContact OD1-CA 3.44Å; D233-G503 PolarHBondContact OD2-N 2.64Å; G503-L505 VanDerWaalsContact C-N 3.28Å; G503-L505 PolarHBondContact O-N 2.85Å; G503-G506 PolarHBondContact O-N 3.09Å; G503-T507 WeakPolarHBondContact O-CG2 3.44Å; G503-T507 PolarHBondContact O-N 3.15Å; G503-T507 PolarHBondContact O-OG1 3.26Å | ||
| 504 | V | 93 | Very high | 91.5 | Very high | 8 Ų | 8 | 17 Ų | 17 | 5% | 0.048 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.8 | -27.7 | -175.4 | 76.4 | 0 | 0 | 0 | 0 | 112.5 | D233 T507 S508 E546 Y549 L550 L562 | D233-V504 PolarHBondContact OD1-N 3.34Å; V504-T507 WeakPolarHBondContact CA-OG1 3.05Å; V504-T507 PolarHBondContact O-N 3.25Å; V504-T507 PolarHBondContact O-OG1 2.86Å; V504-S508 WeakPolarHBondContact CG2-OG 3.24Å; V504-S508 WeakPolarHBondContact O-CB 3.42Å; V504-S508 PolarHBondContact O-N 2.65Å; V504-S508 PolarHBondContact O-OG 3.36Å; V504-E546 WeakPolarHBondContact CB-OE2 3.47Å; V504-E546 WeakPolarHBondContact CG1-OE2 3.46Å; V504-E546 HydrophobicContact CG2-CB 4.23Å; V504-Y549 HydrophobicContact CG1-CD1 3.53Å; V504-Y549 HydrophobicContact CG1-CE1 3.98Å; V504-L550 HydrophobicContact CB-CD2 4.47Å; V504-L550 HydrophobicContact CG1-CD2 3.86Å; V504-L550 HydrophobicContact CG1-CG 3.97Å; V504-L550 HydrophobicContact CG2-CD1 3.88Å; V504-L550 HydrophobicContact CG2-CD2 4.08Å; V504-L550 HydrophobicContact CG2-CG 3.97Å; V504-L562 HydrophobicContact CG2-CD1 4.1Å |
| 505 | L | 94.2 | Very high | 91 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.6 | -42.9 | 177.3 | -62 | 167.2 | 0 | 0 | 0 | 109.8 | P232 D233 E236 G503 Y549 L550 C553 W554 | P232-L505 HydrophobicContact CB-CB 3.99Å; P232-L505 HydrophobicContact CB-CD1 4.49Å; P232-L505 HydrophobicContact CG-CB 3.75Å; D233-L505 VanDerWaalsContact OD1-CB 3.31Å; D233-L505 WeakPolarHBondContact OD1-CB 3.47Å; D233-L505 PolarHBondContact OD1-N 3.45Å; E236-L505 HydrophobicContact CB-CD1 3.78Å; E236-L505 HydrophobicContact CG-CD1 4.16Å; G503-L505 VanDerWaalsContact C-N 3.28Å; G503-L505 PolarHBondContact O-N 2.85Å; L505-Y549 HydrophobicContact CD1-CE1 3.91Å; L505-Y549 HydrophobicContact CD2-CE1 4.48Å; L505-Y549 HydrophobicContact CG-CE1 3.92Å; L505-L550 HydrophobicContact CD2-CD2 3.92Å; L505-C553 HydrophobicContact CD1-CB 4.42Å; L505-C553 HydrophobicContact CD2-CB 4.24Å; L505-W554 HydrophobicContact CD2-CE3 3.84Å; L505-W554 HydrophobicContact CD2-CZ3 4.47Å; L505-W554 WeakPolarHBondContact O-CZ3 3.29Å |
| 506 | G | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68 | -37.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D233 G503 K509 Y511 | D233-G506 WeakPolarHBondContact OD2-CA 3.29Å; D233-G506 PolarHBondContact OD2-N 2.87Å; G503-G506 PolarHBondContact O-N 3.09Å; G506-K509 WeakPolarHBondContact O-CG 3.34Å; G506-Y511 WeakPolarHBondContact O-CE2 3.4Å; G506-Y511 PolarHBondContact O-OH 3.23Å |
| 507 | T | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -81.7 | -22.2 | -177.3 | 51.6 | 0 | 0 | 0 | 0 | 114 | A476 L479 I502 G503 V504 K509 F520 | A476-T507 HydrophobicContact CB-CG2 3.71Å; L479-T507 HydrophobicContact CD2-CG2 4.44Å; I502-T507 HydrophobicContact CG2-CG2 4.27Å; G503-T507 WeakPolarHBondContact O-CG2 3.44Å; G503-T507 PolarHBondContact O-N 3.15Å; G503-T507 PolarHBondContact O-OG1 3.26Å; V504-T507 WeakPolarHBondContact CA-OG1 3.05Å; V504-T507 PolarHBondContact O-N 3.25Å; V504-T507 PolarHBondContact O-OG1 2.86Å; T507-K509 PolarHBondContact O-N 3.08Å; T507-K509 VanDerWaalsContact O-N 3.09Å; T507-F520 HydrophobicContact CG2-CB 4.24Å |
| 508 | S | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -86.1 | 36.6 | -176.1 | -56.8 | 0 | 0 | 0 | 0 | 114.6 | V504 W554 T561 | V504-S508 WeakPolarHBondContact CG2-OG 3.24Å; V504-S508 WeakPolarHBondContact O-CB 3.42Å; V504-S508 PolarHBondContact O-N 2.65Å; V504-S508 PolarHBondContact O-OG 3.36Å; S508-W554 WeakPolarHBondContact O-CH2 3.49Å; S508-T561 CarbonylContact C-O 3.54Å; S508-T561 VanDerWaalsContact C-O 3.26Å; S508-T561 WeakPolarHBondContact CA-O 3.33Å; S508-T561 PolarHBondContact O-N 3.18Å |
| 509 | K | 94.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.013 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -140.3 | 163.8 | 176.9 | 57.6 | -178.3 | 179.2 | -180 | 0 | 112.2 | G506 T507 Y511 W554 M556 F612 T614 | G506-K509 WeakPolarHBondContact O-CG 3.34Å; T507-K509 PolarHBondContact O-N 3.08Å; T507-K509 VanDerWaalsContact O-N 3.09Å; K509-Y511 HydrophobicContact CD-CE2 4.42Å; K509-Y511 WeakPolarHBondContact CE-OH 3.46Å; K509-Y511 HydrophobicContact CG-CD2 4.33Å; K509-Y511 HydrophobicContact CG-CE2 3.63Å; K509-Y511 WeakPolarHBondContact O-CD2 3.32Å; K509-W554 HydrophobicContact CB-CH2 4.2Å; K509-M556 HydrophobicContact CD-CE 4.42Å; K509-F612 HydrophobicContact CB-CB 4.25Å; K509-F612 HydrophobicContact CB-CD1 3.85Å; K509-F612 HydrophobicContact CB-CG 4.5Å; K509-F612 HydrophobicContact CD-CD1 3.58Å; K509-F612 HydrophobicContact CD-CE1 3.83Å; K509-F612 HydrophobicContact CG-CD1 4.33Å; K509-T614 HydrophobicContact CD-CG2 4.17Å |
| 510 | F | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 142.9 | 171 | -77.8 | -95 | 0 | 0 | 0 | 111.1 | I471 I519 T561 L604 V607 Q608 S611 F612 Y613 T614 | I471-F510 HydrophobicContact CD1-CE1 4.22Å; I471-F510 HydrophobicContact CG2-CD1 4.45Å; I471-F510 HydrophobicContact CG2-CE1 3.92Å; F510-I519 HydrophobicContact CD2-CD1 4.5Å; F510-I519 HydrophobicContact CE1-CD1 4.47Å; F510-I519 HydrophobicContact CE2-CD1 4.2Å; F510-I519 HydrophobicContact CZ-CD1 4.2Å; F510-T561 HydrophobicContact CE2-CG2 4.03Å; F510-L604 HydrophobicContact CE1-CD1 4.27Å; F510-L604 HydrophobicContact CE2-CD1 4.44Å; F510-L604 HydrophobicContact CZ-CD1 3.64Å; F510-L604 HydrophobicContact CZ-CG 4.19Å; F510-V607 HydrophobicContact CE2-CG2 4.37Å; F510-V607 HydrophobicContact CZ-CG2 4.48Å; F510-Q608 HydrophobicContact CE1-CG 4.06Å; F510-Q608 HydrophobicContact CZ-CG 3.96Å; F510-S611 VanDerWaalsContact CD2-CB 3.44Å; F510-S611 WeakPolarHBondContact CE2-OG 3.37Å; F510-F612 PolarHBondContact N-O 3.03Å; F510-Y613 HydrophobicContact CB-CD1 3.38Å; F510-Y613 HydrophobicContact CB-CE1 3.37Å; F510-Y613 HydrophobicContact CB-CG 4.08Å; F510-Y613 HydrophobicContact CD1-CE1 4.15Å; F510-Y613 HydrophobicContact CD2-CE1 4.41Å; F510-Y613 HydrophobicContact CG-CD1 4.26Å; F510-Y613 AromaticContact CG-CE1 3.74Å; F510-Y613 HydrophobicContact CG-CE1 3.74Å; F510-Y613 WeakPolarHBondContact O-CA 3.35Å; F510-T614 PolarHBondContact O-N 3.3Å |
| 511 | Y | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132 | 176.2 | -72.5 | -95.2 | 0 | 0 | 0 | 109.8 | L479 Y483 G506 K509 S517 Y518 F520 T614 L616 | L479-Y511 HydrophobicContact CD1-CD1 4.08Å; L479-Y511 HydrophobicContact CD1-CE1 3.76Å; L479-Y511 HydrophobicContact CD1-CE2 4.32Å; L479-Y511 HydrophobicContact CD1-CG 4.48Å; L479-Y511 HydrophobicContact CD2-CE1 4.28Å; L479-Y511 HydrophobicContact CD2-CE2 3.8Å; L479-Y511 WeakPolarHBondContact CD2-OH 3.42Å; Y483-Y511 AromaticContact CE2-CE1 3.94Å; Y483-Y511 HydrophobicContact CE2-CE1 3.94Å; G506-Y511 WeakPolarHBondContact O-CE2 3.4Å; G506-Y511 PolarHBondContact O-OH 3.23Å; K509-Y511 HydrophobicContact CD-CE2 4.42Å; K509-Y511 WeakPolarHBondContact CE-OH 3.46Å; K509-Y511 HydrophobicContact CG-CD2 4.33Å; K509-Y511 HydrophobicContact CG-CE2 3.63Å; K509-Y511 WeakPolarHBondContact O-CD2 3.32Å; Y511-S517 CarbonylContact O-C 3.5Å; Y511-S517 WeakPolarHBondContact O-CA 3.29Å; Y511-Y518 PolarHBondContact N-O 2.95Å; Y511-Y518 PolarHBondContact O-N 3.03Å; Y511-F520 AromaticContact CD2-CD2 3.52Å; Y511-F520 HydrophobicContact CD2-CD2 3.52Å; Y511-F520 AromaticContact CD2-CE2 3.57Å; Y511-F520 HydrophobicContact CD2-CE2 3.57Å; Y511-F520 AromaticContact CE2-CD2 3.78Å; Y511-F520 HydrophobicContact CE2-CD2 3.78Å; Y511-F520 HydrophobicContact CE2-CE2 4.14Å; Y511-F520 HydrophobicContact CG-CD2 4.24Å; Y511-F520 AromaticContact CG-CE2 3.81Å; Y511-F520 HydrophobicContact CG-CE2 3.81Å; Y511-T614 CarbonylContact C-O 3.49Å; Y511-T614 WeakPolarHBondContact CA-O 3.33Å; Y511-T614 HydrophobicContact CD1-CG2 3.18Å; Y511-T614 HydrophobicContact CE1-CG2 3.2Å; Y511-T614 HydrophobicContact CG-CG2 3.94Å; Y511-L616 HydrophobicContact CD1-CD1 3.73Å; Y511-L616 HydrophobicContact CD1-CD2 4.19Å; Y511-L616 HydrophobicContact CD1-CG 3.95Å; Y511-L616 HydrophobicContact CE1-CD1 4.2Å; Y511-L616 HydrophobicContact CE1-CD2 4.33Å |
| 512 | E | 92.6 | Very high | 92.7 | Very high | 64 Ų | 64 | 18.4 Ų | 18.4 | 30% | 0.299 | 10% | 0.098 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.6 | 168.5 | -175.2 | 176.6 | -143.7 | 0 | 0 | 109.7 | R516 T614 R615 L616 | E512-R516 WeakPolarHBondContact CA-O 3.21Å; E512-T614 PolarHBondContact N-O 3.24Å; E512-R615 HydrophobicContact CB-CB 4.4Å; E512-R615 HydrophobicContact CB-CG 4.12Å; E512-R615 HydrophobicContact CG-CG 4.32Å; E512-R615 WeakPolarHBondContact O-CA 3.46Å; E512-R615 WeakPolarHBondContact OE2-CD 3.43Å; E512-R615 IonicContact OE2-NE 2.62Å; E512-L616 PolarHBondContact O-N 3.27Å |
| 513 | I | 90.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.4 | 179.8 | -46.4 | 176.9 | 0 | 0 | 0 | 107.3 | I482 N515 R516 Y518 L616 L619 F654 | I482-I513 HydrophobicContact CD1-CD1 3.98Å; I513-N515 PolarHBondContact O-N 3.06Å; I513-R516 PolarHBondContact N-O 2.93Å; I513-R516 WeakPolarHBondContact O-CB 3.27Å; I513-R516 PolarHBondContact O-N 3.38Å; I513-Y518 HydrophobicContact CB-CD2 4.01Å; I513-Y518 HydrophobicContact CB-CE2 3.82Å; I513-Y518 HydrophobicContact CD1-CD2 3.99Å; I513-Y518 HydrophobicContact CD1-CE2 4.31Å; I513-Y518 HydrophobicContact CD1-CG 4.31Å; I513-Y518 HydrophobicContact CG1-CD2 3.97Å; I513-Y518 HydrophobicContact CG1-CE2 4.27Å; I513-L616 HydrophobicContact CD1-CD1 4.01Å; I513-L616 HydrophobicContact CG1-CB 4.25Å; I513-L616 HydrophobicContact CG1-CD1 4.15Å; I513-L616 HydrophobicContact CG1-CG 4.36Å; I513-L619 HydrophobicContact CG2-CB 4.18Å; I513-L619 HydrophobicContact CG2-CD1 3.89Å; I513-F654 HydrophobicContact CB-CE1 4.49Å; I513-F654 HydrophobicContact CD1-CZ 4.28Å; I513-F654 HydrophobicContact CG2-CD1 4.48Å; I513-F654 HydrophobicContact CG2-CE1 3.77Å; I513-F654 HydrophobicContact CG2-CZ 3.86Å |
| 514 | R | 85.6 | Confident | 92.5 | Very high | 27 Ų | 27 | 18.9 Ų | 18.9 | 10% | 0.102 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 43.8 | -176.2 | -60.7 | -177.1 | -178.9 | -160.2 | -7.8 | 113.5 | R516 L619 D624 D652 T653 F654 | R514-R516 PolarHBondContact O-N 2.92Å; R514-L619 VanDerWaalsContact CZ-O 3.28Å; R514-L619 PolarHBondContact NE-O 3.49Å; R514-L619 PolarHBondContact NH2-O 3.22Å; R514-D624 IonicContact CZ-OD1 3.53Å; R514-D624 VanDerWaalsContact CZ-OD1 3.31Å; R514-D624 IonicContact NH1-OD1 2.68Å; R514-D624 PolarHBondContact NH1-OD1 2.99Å; R514-D624 VanDerWaalsContact NH1-OD1 3.11Å; R514-D624 IonicContact NH1-OD2 3.3Å; R514-D624 IonicContact NH2-OD1 2.65Å; R514-D624 PolarHBondContact NH2-OD1 2.96Å; R514-D652 IonicContact CZ-OD1 3.64Å; R514-D652 IonicContact NH1-OD1 3.95Å; R514-D652 PolarHBondContact NH1-OD1 3.06Å; R514-T653 PolarHBondContact NH1-OG1 3.26Å; R514-F654 VanDerWaalsContact CZ-CB 3.47Å; R514-F654 VanDerWaalsContact NH1-CB 3.33Å |
| 515 | N | 84.9 | Confident | 92.3 | Very high | 118 Ų | 118 | 19.5 Ų | 19.5 | 63% | 0.631 | 10% | 0.096 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 25.1 | -176.1 | -56.4 | -26.9 | 0 | 0 | 0 | 114.7 | I513 R615 | I513-N515 PolarHBondContact O-N 3.06Å; N515-R615 PolarHBondContact OD1-NH2 3.33Å |
| 516 | R | 89.9 | Confident | 91.6 | Very high | 79 Ų | 79 | 20 Ų | 20 | 30% | 0.298 | 10% | 0.098 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 143.2 | 173 | -63.4 | 176.4 | -174.4 | 179.7 | 2.9 | 109.7 | E512 I513 R514 Y518 D652 D655 | E512-R516 WeakPolarHBondContact CA-O 3.21Å; I513-R516 PolarHBondContact N-O 2.93Å; I513-R516 WeakPolarHBondContact O-CB 3.27Å; I513-R516 PolarHBondContact O-N 3.38Å; R514-R516 PolarHBondContact O-N 2.92Å; R516-Y518 HydrophobicContact CB-CD2 4.44Å; R516-Y518 HydrophobicContact CB-CE2 3.69Å; R516-Y518 WeakPolarHBondContact O-CD2 3.4Å; R516-D652 IonicContact CZ-OD2 2.81Å; R516-D652 IonicContact NH1-OD2 3.61Å; R516-D652 IonicContact NH2-OD2 3.74Å; R516-D655 IonicContact CZ-OD2 2.87Å; R516-D655 IonicContact NH1-OD1 2.79Å; R516-D655 PolarHBondContact NH1-OD1 2.98Å; R516-D655 IonicContact NH1-OD2 3.97Å; R516-D655 PolarHBondContact NH1-OD2 2.84Å; R516-D655 IonicContact NH2-OD2 3.67Å |
| 517 | S | 92.9 | Very high | 90.6 | Very high | 35 Ų | 35 | 22.5 Ų | 22.5 | 25% | 0.245 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 131 | -179.5 | -54 | 0 | 0 | 0 | 0 | 111.1 | R472 Y511 | R472-S517 PolarHBondContact N-O 3.37Å; Y511-S517 CarbonylContact O-C 3.5Å; Y511-S517 WeakPolarHBondContact O-CA 3.29Å |
| 518 | Y | 95 | Very high | 89.3 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.4 | 176 | -64.9 | -102.8 | 0 | 0 | 0 | 109.8 | R472 M474 Y511 I513 R516 | R472-Y518 HydrophobicContact CB-CD1 3.7Å; R472-Y518 HydrophobicContact CB-CE1 3.9Å; R472-Y518 HydrophobicContact CB-CG 4.35Å; R472-Y518 HydrophobicContact CG-CE1 4.35Å; R472-Y518 PolarHBondContact NH1-OH 3Å; R472-Y518 CarbonylContact O-C 3.54Å; R472-Y518 WeakPolarHBondContact O-CA 3.24Å; M474-Y518 HydrophobicContact CG-CD1 4.19Å; Y511-Y518 PolarHBondContact N-O 2.95Å; Y511-Y518 PolarHBondContact O-N 3.03Å; I513-Y518 HydrophobicContact CB-CD2 4.01Å; I513-Y518 HydrophobicContact CB-CE2 3.82Å; I513-Y518 HydrophobicContact CD1-CD2 3.99Å; I513-Y518 HydrophobicContact CD1-CE2 4.31Å; I513-Y518 HydrophobicContact CD1-CG 4.31Å; I513-Y518 HydrophobicContact CG1-CD2 3.97Å; I513-Y518 HydrophobicContact CG1-CE2 4.27Å; R516-Y518 HydrophobicContact CB-CD2 4.44Å; R516-Y518 HydrophobicContact CB-CE2 3.69Å; R516-Y518 WeakPolarHBondContact O-CD2 3.4Å |
| 519 | I | 95.9 | Very high | 88 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 148.3 | 165 | -165.2 | 159.7 | 0 | 0 | 0 | 108.9 | I471 R472 V473 M474 F510 T561 T563 L604 | I471-I519 HydrophobicContact CG2-CG2 4.2Å; R472-I519 PolarHBondContact O-N 3.4Å; V473-I519 WeakPolarHBondContact CA-O 3.48Å; V473-I519 HydrophobicContact CB-CG2 4.34Å; V473-I519 HydrophobicContact CG1-CG2 4.39Å; V473-I519 HydrophobicContact CG2-CG2 3.87Å; M474-I519 PolarHBondContact N-O 3.13Å; F510-I519 HydrophobicContact CD2-CD1 4.5Å; F510-I519 HydrophobicContact CE1-CD1 4.47Å; F510-I519 HydrophobicContact CE2-CD1 4.2Å; F510-I519 HydrophobicContact CZ-CD1 4.2Å; I519-T561 HydrophobicContact CD1-CG2 3.91Å; I519-T563 WeakPolarHBondContact CD1-OG1 3.41Å; I519-T563 WeakPolarHBondContact CG1-OG1 3.43Å; I519-L604 HydrophobicContact CD1-CD1 3.72Å; I519-L604 HydrophobicContact CG2-CD1 4.47Å; I519-L604 HydrophobicContact CG2-CD2 3.99Å |
| 520 | F | 95.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.2 | -174.9 | -62.6 | -90.4 | 0 | 0 | 0 | 111.3 | M474 P475 I478 L479 I482 T507 Y511 | M474-F520 HydrophobicContact CB-CD1 3.65Å; M474-F520 HydrophobicContact CB-CE1 3.58Å; M474-F520 HydrophobicContact CB-CZ 4.5Å; M474-F520 HydrophobicContact CG-CE1 4.39Å; M474-F520 CarbonylContact O-C 3.6Å; M474-F520 WeakPolarHBondContact O-CA 3.26Å; P475-F520 WeakPolarHBondContact O-CD1 3.33Å; I478-F520 HydrophobicContact CB-CE1 4.24Å; I478-F520 HydrophobicContact CG2-CE1 4.3Å; L479-F520 HydrophobicContact CB-CD1 3.67Å; L479-F520 HydrophobicContact CB-CD2 4.22Å; L479-F520 HydrophobicContact CB-CE1 3.72Å; L479-F520 HydrophobicContact CB-CE2 4.3Å; L479-F520 HydrophobicContact CB-CG 3.92Å; L479-F520 HydrophobicContact CB-CZ 4.05Å; L479-F520 HydrophobicContact CD1-CD2 4.01Å; L479-F520 HydrophobicContact CD1-CE1 4.29Å; L479-F520 HydrophobicContact CD1-CE2 3.57Å; L479-F520 HydrophobicContact CD1-CZ 3.72Å; L479-F520 HydrophobicContact CD2-CB 4.41Å; L479-F520 HydrophobicContact CD2-CD2 3.88Å; L479-F520 HydrophobicContact CD2-CE2 4.33Å; L479-F520 HydrophobicContact CD2-CG 4.05Å; L479-F520 HydrophobicContact CG-CD2 4.23Å; L479-F520 HydrophobicContact CG-CE2 4.24Å; L479-F520 HydrophobicContact CG-CG 4.38Å; L479-F520 HydrophobicContact CG-CZ 4.37Å; I482-F520 HydrophobicContact CD1-CE1 4.45Å; I482-F520 HydrophobicContact CD1-CZ 4.07Å; T507-F520 HydrophobicContact CG2-CB 4.24Å; Y511-F520 AromaticContact CD2-CD2 3.52Å; Y511-F520 HydrophobicContact CD2-CD2 3.52Å; Y511-F520 AromaticContact CD2-CE2 3.57Å; Y511-F520 HydrophobicContact CD2-CE2 3.57Å; Y511-F520 AromaticContact CE2-CD2 3.78Å; Y511-F520 HydrophobicContact CE2-CD2 3.78Å; Y511-F520 HydrophobicContact CE2-CE2 4.14Å; Y511-F520 HydrophobicContact CG-CD2 4.24Å; Y511-F520 AromaticContact CG-CE2 3.81Å; Y511-F520 HydrophobicContact CG-CE2 3.81Å |
| 521 | T | 94.5 | Very high | 87.2 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.098 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 143.5 | 174.4 | 62.7 | 0 | 0 | 0 | 0 | 109.5 | V473 M474 A476 T563 P565 | V473-T521 HydrophobicContact CG1-CG2 3.81Å; M474-T521 PolarHBondContact O-N 2.65Å; A476-T521 VanDerWaalsContact CB-O 3.27Å; A476-T521 WeakPolarHBondContact CB-O 3.22Å; A476-T521 PolarHBondContact N-O 3.39Å; T521-T563 HydrophobicContact CG2-CG2 4.42Å; T521-P565 HydrophobicContact CG2-CG 3.9Å |
| 522 | P | 92.6 | Very high | 87 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | trans | -53.9 | 148.1 | 177.4 | -27.6 | 34.8 | 0 | 0 | 0 | 113.6 | F524 L525 L562 T563 | P522-F524 HydrophobicContact CB-CD1 3.51Å; P522-F524 HydrophobicContact CB-CE1 3.37Å; P522-F524 HydrophobicContact CB-CG 4.49Å; P522-F524 HydrophobicContact CB-CZ 4.27Å; P522-F524 HydrophobicContact CG-CE1 3.89Å; P522-F524 PolarHBondContact O-N 2.65Å; P522-L525 PolarHBondContact O-N 2.96Å; P522-L525 VanDerWaalsContact O-N 3.13Å; P522-L562 HydrophobicContact CG-CD1 3.92Å; P522-L562 HydrophobicContact CG-CD2 4.2Å; P522-L562 HydrophobicContact CG-CG 3.73Å; P522-T563 WeakPolarHBondContact CD-O 3.41Å | ||
| 523 | Q | 87.9 | Confident | 86.7 | Confident | 17 Ų | 17 | 27.7 Ų | 27.7 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -57.8 | -35.2 | -177.5 | -165.5 | 68.4 | 43.8 | 0 | 0 | 112.8 | A476 L525 D526 E840 | A476-Q523 HydrophobicContact CB-CB 4.32Å; Q523-L525 PolarHBondContact O-N 3.4Å; Q523-D526 PolarHBondContact O-N 3.39Å; Q523-E840 VanDerWaalsContact CD-OE2 3.31Å; Q523-E840 VanDerWaalsContact CG-OE2 3.29Å; Q523-E840 WeakPolarHBondContact CG-OE2 3.35Å; Q523-E840 PolarHBondContact NE2-OE1 3.29Å; Q523-E840 VanDerWaalsContact NE2-OE1 3.11Å; Q523-E840 PolarHBondContact NE2-OE2 3.48Å |
| 524 | F | 87.6 | Confident | 86.7 | Confident | 23 Ų | 23 | 29 Ų | 29 | 10% | 0.101 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -64.8 | -12.4 | -178.5 | 74.4 | -96.4 | 0 | 0 | 0 | 114.5 | P522 A533 I539 M542 L543 E546 F564 | P522-F524 HydrophobicContact CB-CD1 3.51Å; P522-F524 HydrophobicContact CB-CE1 3.37Å; P522-F524 HydrophobicContact CB-CG 4.49Å; P522-F524 HydrophobicContact CB-CZ 4.27Å; P522-F524 HydrophobicContact CG-CE1 3.89Å; P522-F524 PolarHBondContact O-N 2.65Å; F524-A533 WeakPolarHBondContact O-CB 3.15Å; F524-I539 HydrophobicContact CE2-CG2 4.15Å; F524-M542 HydrophobicContact CB-CB 4.38Å; F524-M542 HydrophobicContact CB-CE 3.37Å; F524-M542 HydrophobicContact CB-SD 4.08Å; F524-M542 HydrophobicContact CD2-CB 3.91Å; F524-M542 HydrophobicContact CD2-SD 4.49Å; F524-M542 HydrophobicContact CE2-CB 4.36Å; F524-M542 HydrophobicContact CG-CB 4.11Å; F524-M542 HydrophobicContact CG-CE 4.36Å; F524-L543 HydrophobicContact CE2-CB 4.43Å; F524-L543 HydrophobicContact CZ-CB 4.1Å; F524-L543 HydrophobicContact CZ-CD1 4.13Å; F524-E546 HydrophobicContact CD1-CG 3.84Å; F524-E546 HydrophobicContact CE1-CB 4.32Å; F524-E546 HydrophobicContact CE1-CG 3.89Å; F524-F564 HydrophobicContact CE2-CE2 4.03Å; F524-F564 HydrophobicContact CZ-CD2 4.28Å; F524-F564 HydrophobicContact CZ-CE2 4.11Å |
| 525 | L | 87.9 | Confident | 87 | Confident | 20 Ų | 20 | 28.3 Ų | 28.3 | 11% | 0.105 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -91.2 | -4.3 | 175.1 | -65.2 | 176.8 | 0 | 0 | 0 | 113.1 | P522 Q523 H527 I539 F564 P565 M570 | P522-L525 PolarHBondContact O-N 2.96Å; P522-L525 VanDerWaalsContact O-N 3.13Å; Q523-L525 PolarHBondContact O-N 3.4Å; L525-H527 PolarHBondContact O-CD2 3.12Å; L525-H527 VanDerWaalsContact O-CD2 3.25Å; L525-H527 PolarHBondContact O-N 2.76Å; L525-I539 HydrophobicContact CD2-CG2 4.17Å; L525-F564 HydrophobicContact CD1-CD2 3.86Å; L525-F564 HydrophobicContact CD1-CE2 4.22Å; L525-F564 HydrophobicContact CD2-CD2 4.35Å; L525-F564 HydrophobicContact CD2-CE2 3.86Å; L525-P565 HydrophobicContact CD1-CG 4.15Å; L525-M570 HydrophobicContact CD2-CE 3.92Å |
| 526 | D | 80.3 | Confident | 87.3 | Confident | 14 Ų | 14 | 22.8 Ų | 22.8 | 8% | 0.075 | 11% | 0.11 | C | C | . | . | trans | -85.2 | 99 | -178.4 | -160.5 | -15.7 | 0 | 0 | 0 | 111.9 | R477 Q523 H528 | R477-D526 WeakPolarHBondContact CD-OD2 3.5Å; R477-D526 WeakPolarHBondContact CG-OD2 3.38Å; R477-D526 IonicContact CZ-OD2 2.73Å; R477-D526 IonicContact NE-OD2 3.31Å; R477-D526 VanDerWaalsContact NH1-CG 3.28Å; R477-D526 IonicContact NH1-OD1 2.86Å; R477-D526 PolarHBondContact NH1-OD1 3.41Å; R477-D526 VanDerWaalsContact NH1-OD1 3.14Å; R477-D526 IonicContact NH1-OD2 3.04Å; R477-D526 PolarHBondContact NH1-OD2 3.46Å; Q523-D526 PolarHBondContact O-N 3.39Å; D526-H528 VanDerWaalsContact C-N 3.26Å; D526-H528 PolarHBondContact O-N 3.15Å; D526-H528 IonicContact OD1-CG 3.43Å; D526-H528 PolarHBondContact OD1-N 3.43Å; D526-H528 IonicContact OD1-ND1 3.53Å; D526-H528 PolarHBondContact OD1-ND1 3.05Å | ||
| 527 | H | 72.5 | Confident | 87.5 | Confident | 53 Ų | 53 | 23 Ų | 23 | 25% | 0.245 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -7.3 | -176.1 | -56.3 | 166.5 | 0 | 0 | 0 | 114.6 | L525 H529 A533 S569 | L525-H527 PolarHBondContact O-CD2 3.12Å; L525-H527 VanDerWaalsContact O-CD2 3.25Å; L525-H527 PolarHBondContact O-N 2.76Å; H527-H529 VanDerWaalsContact C-N 3.32Å; H527-H529 PolarHBondContact O-N 3.46Å; H527-A533 VanDerWaalsContact CD2-CB 3.45Å; H527-A533 WeakPolarHBondContact CD2-CB 3.23Å; H527-A533 WeakPolarHBondContact NE2-CB 3.41Å; H527-A533 PolarHBondContact NE2-O 3.36Å; H527-S569 PolarHBondContact CE1-OG 3.17Å |
| 528 | H | 69 | Low | 87.4 | Confident | 81 Ų | 81 | 21.3 Ų | 21.3 | 38% | 0.375 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -35.4 | -174.8 | -68.7 | 76.7 | 0 | 0 | 0 | 111.9 | D526 T665 K837 | D526-H528 VanDerWaalsContact C-N 3.26Å; D526-H528 PolarHBondContact O-N 3.15Å; D526-H528 IonicContact OD1-CG 3.43Å; D526-H528 PolarHBondContact OD1-N 3.43Å; D526-H528 IonicContact OD1-ND1 3.53Å; D526-H528 PolarHBondContact OD1-ND1 3.05Å; H528-T665 PolarHBondContact CD2-O 3.32Å; H528-K837 PolarHBondContact O-NZ 3.1Å |
| 529 | H | 68.1 | Low | 87.3 | Confident | 67 Ų | 67 | 21.2 Ų | 21.2 | 31% | 0.31 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -41.3 | -172.7 | -61.3 | 96.4 | 0 | 0 | 0 | 113 | H527 E840 | H527-H529 VanDerWaalsContact C-N 3.32Å; H527-H529 PolarHBondContact O-N 3.46Å; H529-E840 HydrophobicContact CB-CG 3.86Å; H529-E840 IonicContact CD2-OE1 2.78Å; H529-E840 IonicContact CE1-OE1 3.74Å; H529-E840 PolarHBondContact CE1-OE1 2.95Å; H529-E840 IonicContact CG-OE1 2.65Å; H529-E840 IonicContact ND1-OE1 3.41Å; H529-E840 PolarHBondContact ND1-OE1 3.14Å; H529-E840 IonicContact NE2-OE1 3.95Å |
| 530 | F | 84.6 | Confident | 87.2 | Confident | 15 Ų | 15 | 21.4 Ų | 21.4 | 7% | 0.066 | 10% | 0.104 | C | C | . | . | trans | -151.8 | 153.9 | -175.5 | -151.7 | -94.9 | 0 | 0 | 0 | 114 | L532 Y816 K837 V839 V894 E898 | F530-L532 HydrophobicContact CD1-CB 4.4Å; F530-L532 HydrophobicContact CD1-CD1 4.1Å; F530-L532 HydrophobicContact CD1-CG 3.68Å; F530-L532 HydrophobicContact CE1-CD1 4.22Å; F530-L532 HydrophobicContact CE1-CD2 4.27Å; F530-L532 HydrophobicContact CE1-CG 3.76Å; F530-Y816 VanDerWaalsContact C-OH 3.25Å; F530-Y816 WeakPolarHBondContact CA-OH 3.27Å; F530-K837 HydrophobicContact CD2-CB 4.42Å; F530-V839 HydrophobicContact CD1-CG2 3.72Å; F530-V839 HydrophobicContact CD2-CB 4.46Å; F530-V839 HydrophobicContact CD2-CG2 3.78Å; F530-V839 HydrophobicContact CE1-CG2 3.5Å; F530-V839 HydrophobicContact CE2-CG2 3.54Å; F530-V839 HydrophobicContact CG-CB 4.44Å; F530-V839 HydrophobicContact CG-CG2 3.86Å; F530-V839 HydrophobicContact CZ-CG2 3.39Å; F530-V894 HydrophobicContact CE2-CG1 4.3Å; F530-V894 HydrophobicContact CZ-CG1 3.87Å; F530-E898 HydrophobicContact CE1-CG 4.5Å | ||
| 531 | Y | 89.4 | Confident | 87 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -92.4 | -0.5 | -163.8 | 59.4 | -92.4 | 0 | 0 | 0 | 115.6 | A533 L534 Y816 W825 I828 R829 S832 V894 E898 P953 | Y531-A533 PolarHBondContact O-N 2.81Å; Y531-A533 VanDerWaalsContact O-N 3.09Å; Y531-L534 WeakPolarHBondContact O-CB 3.16Å; Y531-L534 PolarHBondContact O-N 3.49Å; Y531-Y816 WeakPolarHBondContact CB-OH 3.41Å; Y531-Y816 AromaticContact CD1-CE2 3.99Å; Y531-Y816 HydrophobicContact CD1-CE2 3.99Å; Y531-Y816 PolarHBondContact N-OH 3.3Å; Y531-W825 HydrophobicContact CD2-CE3 4.31Å; Y531-W825 HydrophobicContact CD2-CZ3 4.29Å; Y531-I828 HydrophobicContact CD1-CG2 3.34Å; Y531-I828 HydrophobicContact CD2-CG2 3.99Å; Y531-I828 HydrophobicContact CE1-CG2 3.86Å; Y531-I828 HydrophobicContact CE2-CG2 4.47Å; Y531-I828 HydrophobicContact CG-CG2 3.4Å; Y531-R829 WeakPolarHBondContact OH-CG 3.34Å; Y531-S832 WeakPolarHBondContact CE1-OG 3.44Å; Y531-V894 HydrophobicContact CE1-CG1 4.05Å; Y531-V894 WeakPolarHBondContact OH-CG1 3.42Å; Y531-E898 PolarHBondContact OH-OE1 2.79Å; Y531-P953 HydrophobicContact CD2-CG 4.42Å; Y531-P953 HydrophobicContact CE2-CG 4.34Å |
| 532 | L | 90 | Very high | 86.9 | Confident | 9 Ų | 9 | 22.6 Ų | 22.6 | 5% | 0.047 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -54.4 | -34.6 | -175.3 | -73.3 | 173.6 | 0 | 0 | 0 | 112.5 | F530 L534 D535 V839 E898 Y902 P953 | F530-L532 HydrophobicContact CD1-CB 4.4Å; F530-L532 HydrophobicContact CD1-CD1 4.1Å; F530-L532 HydrophobicContact CD1-CG 3.68Å; F530-L532 HydrophobicContact CE1-CD1 4.22Å; F530-L532 HydrophobicContact CE1-CD2 4.27Å; F530-L532 HydrophobicContact CE1-CG 3.76Å; L532-L534 VanDerWaalsContact C-N 3.27Å; L532-L534 PolarHBondContact O-N 2.99Å; L532-D535 PolarHBondContact O-N 2.78Å; L532-V839 HydrophobicContact CD1-CG1 4.41Å; L532-E898 HydrophobicContact CD2-CG 4.21Å; L532-Y902 HydrophobicContact CD2-CE1 4.08Å; L532-Y902 WeakPolarHBondContact CD2-OH 3.47Å; L532-P953 HydrophobicContact CD2-CB 3.8Å; L532-P953 HydrophobicContact CD2-CG 4.12Å |
| 533 | A | 87.4 | Confident | 86.9 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -80.6 | 2.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F524 H527 Y531 D535 I539 | F524-A533 WeakPolarHBondContact O-CB 3.15Å; H527-A533 VanDerWaalsContact CD2-CB 3.45Å; H527-A533 WeakPolarHBondContact CD2-CB 3.23Å; H527-A533 WeakPolarHBondContact NE2-CB 3.41Å; H527-A533 PolarHBondContact NE2-O 3.36Å; Y531-A533 PolarHBondContact O-N 2.81Å; Y531-A533 VanDerWaalsContact O-N 3.09Å; A533-D535 VanDerWaalsContact C-N 3.27Å; A533-I539 HydrophobicContact CB-CG1 4.05Å; A533-I539 WeakPolarHBondContact O-CD1 3.46Å; A533-I539 VanDerWaalsContact O-CG1 3.24Å; A533-I539 WeakPolarHBondContact O-CG1 3.38Å |
| 534 | L | 89.3 | Confident | 87.1 | Confident | 27 Ų | 27 | 25.8 Ų | 25.8 | 14% | 0.141 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -79.4 | -14.8 | 169.4 | -60.6 | -178.9 | 0 | 0 | 0 | 112.5 | Y531 L532 W825 | Y531-L534 WeakPolarHBondContact O-CB 3.16Å; Y531-L534 PolarHBondContact O-N 3.49Å; L532-L534 VanDerWaalsContact C-N 3.27Å; L532-L534 PolarHBondContact O-N 2.99Å; L534-W825 HydrophobicContact CB-CH2 4.08Å; L534-W825 HydrophobicContact CB-CZ3 4.17Å |
| 535 | D | 91.4 | Very high | 87.2 | Confident | 12 Ų | 12 | 25.4 Ų | 25.4 | 6% | 0.064 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -92.2 | 109.3 | 173 | 179.8 | -8.5 | 0 | 0 | 0 | 110 | L532 A533 Q537 M538 I539 W825 S952 P953 F954 | L532-D535 PolarHBondContact O-N 2.78Å; A533-D535 VanDerWaalsContact C-N 3.27Å; D535-Q537 PolarHBondContact O-N 2.85Å; D535-Q537 WeakPolarHBondContact OD1-CB 3.45Å; D535-Q537 PolarHBondContact OD1-N 3.44Å; D535-M538 HydrophobicContact CB-CB 3.78Å; D535-M538 WeakPolarHBondContact O-CA 3.28Å; D535-M538 WeakPolarHBondContact O-CB 3.3Å; D535-M538 PolarHBondContact O-N 3.17Å; D535-M538 PolarHBondContact OD1-N 2.97Å; D535-I539 WeakPolarHBondContact O-CG1 3.5Å; D535-I539 PolarHBondContact O-N 2.95Å; D535-W825 HydrophobicContact CB-CH2 3.81Å; D535-W825 HydrophobicContact CB-CZ2 4.13Å; D535-S952 WeakPolarHBondContact OD2-CB 3.29Å; D535-P953 HydrophobicContact CB-CB 4.27Å; D535-P953 HydrophobicContact CB-CG 4.05Å; D535-F954 WeakPolarHBondContact OD2-CB 3.42Å; D535-F954 PolarHBondContact OD2-N 3.41Å |
| 536 | N | 92.3 | Very high | 87.3 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.4 | -33.4 | -178.7 | -69.5 | -24.3 | 0 | 0 | 0 | 112.8 | V540 S569 D579 I582 | N536-V540 WeakPolarHBondContact O-CG2 3.46Å; N536-V540 PolarHBondContact O-N 3.08Å; N536-S569 PolarHBondContact OD1-O 3.21Å; N536-D579 WeakPolarHBondContact ND2-CB 3.4Å; N536-D579 VanDerWaalsContact ND2-CG 3.31Å; N536-D579 PolarHBondContact ND2-OD2 3.47Å; N536-I582 HydrophobicContact CB-CD1 4.23Å; N536-I582 HydrophobicContact CB-CG1 4.18Å |
| 537 | Q | 93.1 | Very high | 87.9 | Confident | 82 Ų | 82 | 25.3 Ų | 25.3 | 38% | 0.383 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -72.7 | -37 | 177.3 | -64.9 | -175.9 | -34.7 | 0 | 0 | 111.1 | D535 V540 E541 C581 F954 | D535-Q537 PolarHBondContact O-N 2.85Å; D535-Q537 WeakPolarHBondContact OD1-CB 3.45Å; D535-Q537 PolarHBondContact OD1-N 3.44Å; Q537-V540 PolarHBondContact O-N 3.29Å; Q537-E541 PolarHBondContact O-N 3.4Å; Q537-E541 VanDerWaalsContact O-N 3.13Å; Q537-C581 HydrophobicContact CG-CB 4.49Å; Q537-F954 HydrophobicContact CB-CB 3.84Å; Q537-F954 HydrophobicContact CB-CD1 3.8Å; Q537-F954 HydrophobicContact CB-CD2 3.76Å; Q537-F954 HydrophobicContact CB-CE1 4.22Å; Q537-F954 HydrophobicContact CB-CE2 4.22Å; Q537-F954 HydrophobicContact CB-CG 3.52Å; Q537-F954 HydrophobicContact CB-CZ 4.43Å; Q537-F954 HydrophobicContact CG-CD1 4.39Å |
| 538 | M | 92 | Very high | 88.8 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 173.5 | -172.2 | 61.6 | -173.3 | 0 | 0 | 111.7 | D535 V540 E541 M542 Y902 M905 P953 F954 K957 | D535-M538 HydrophobicContact CB-CB 3.78Å; D535-M538 WeakPolarHBondContact O-CA 3.28Å; D535-M538 WeakPolarHBondContact O-CB 3.3Å; D535-M538 PolarHBondContact O-N 3.17Å; D535-M538 PolarHBondContact OD1-N 2.97Å; M538-V540 VanDerWaalsContact C-N 3.3Å; M538-V540 PolarHBondContact O-N 3.02Å; M538-E541 WeakPolarHBondContact O-CB 3.4Å; M538-E541 PolarHBondContact O-N 3.34Å; M538-E541 VanDerWaalsContact O-N 3.08Å; M538-M542 HydrophobicContact CE-CG 3.88Å; M538-M542 HydrophobicContact CE-SD 4.08Å; M538-M542 HydrophobicContact CG-CG 4.4Å; M538-M542 HydrophobicContact CG-SD 4.18Å; M538-M542 WeakPolarHBondContact O-CG 3.17Å; M538-M542 PolarHBondContact O-N 2.91Å; M538-Y902 HydrophobicContact CE-CD1 3.96Å; M538-Y902 HydrophobicContact CE-CE1 3.53Å; M538-Y902 HydrophobicContact SD-CE1 4.22Å; M538-M905 HydrophobicContact CE-CE 3.96Å; M538-M905 HydrophobicContact CE-SD 3.65Å; M538-P953 HydrophobicContact CB-CB 4.17Å; M538-P953 HydrophobicContact CG-CB 4.05Å; M538-F954 HydrophobicContact CB-CB 4.48Å; M538-K957 HydrophobicContact CE-CD 4.42Å; M538-K957 HydrophobicContact SD-CD 4.06Å |
| 539 | I | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.3 | -46.8 | 174.3 | -66.4 | 166.7 | 0 | 0 | 0 | 110.9 | F524 L525 A533 D535 E541 M542 L543 F564 M570 | F524-I539 HydrophobicContact CE2-CG2 4.15Å; L525-I539 HydrophobicContact CD2-CG2 4.17Å; A533-I539 HydrophobicContact CB-CG1 4.05Å; A533-I539 WeakPolarHBondContact O-CD1 3.46Å; A533-I539 VanDerWaalsContact O-CG1 3.24Å; A533-I539 WeakPolarHBondContact O-CG1 3.38Å; D535-I539 WeakPolarHBondContact O-CG1 3.5Å; D535-I539 PolarHBondContact O-N 2.95Å; I539-E541 VanDerWaalsContact C-N 3.27Å; I539-E541 PolarHBondContact O-N 2.95Å; I539-M542 PolarHBondContact O-N 2.97Å; I539-L543 WeakPolarHBondContact O-CB 3.44Å; I539-L543 PolarHBondContact O-N 3.46Å; I539-F564 HydrophobicContact CG2-CE2 3.95Å; I539-F564 HydrophobicContact CG2-CZ 3.78Å; I539-M570 HydrophobicContact CD1-CE 3.92Å; I539-M570 HydrophobicContact CD1-CG 4.32Å; I539-M570 HydrophobicContact CG2-CE 4.35Å |
| 540 | V | 93.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.03 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 179 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | N536 Q537 M538 R544 I582 T585 F594 | N536-V540 WeakPolarHBondContact O-CG2 3.46Å; N536-V540 PolarHBondContact O-N 3.08Å; Q537-V540 PolarHBondContact O-N 3.29Å; M538-V540 VanDerWaalsContact C-N 3.3Å; M538-V540 PolarHBondContact O-N 3.02Å; V540-R544 VanDerWaalsContact O-CB 3.27Å; V540-R544 WeakPolarHBondContact O-CB 3.44Å; V540-R544 PolarHBondContact O-N 3.09Å; V540-I582 HydrophobicContact CG2-CD1 3.91Å; V540-T585 HydrophobicContact CG1-CG2 4.21Å; V540-T585 VanDerWaalsContact CG1-OG1 3.26Å; V540-T585 WeakPolarHBondContact CG1-OG1 3.36Å; V540-T585 HydrophobicContact CG2-CG2 4.31Å; V540-T585 WeakPolarHBondContact CG2-OG1 3.25Å; V540-F594 HydrophobicContact CG1-CZ 4.29Å |
| 541 | E | 91 | Very high | 91.2 | Very high | 19 Ų | 19 | 20 Ų | 20 | 9% | 0.089 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.3 | -38.8 | 176.4 | -172.5 | 65.4 | -173.4 | 0 | 0 | 112.8 | Q537 M538 I539 R544 T545 M905 K957 | Q537-E541 PolarHBondContact O-N 3.4Å; Q537-E541 VanDerWaalsContact O-N 3.13Å; M538-E541 WeakPolarHBondContact O-CB 3.4Å; M538-E541 PolarHBondContact O-N 3.34Å; M538-E541 VanDerWaalsContact O-N 3.08Å; I539-E541 VanDerWaalsContact C-N 3.27Å; I539-E541 PolarHBondContact O-N 2.95Å; E541-R544 WeakPolarHBondContact O-CB 3.19Å; E541-R544 PolarHBondContact O-N 2.93Å; E541-R544 IonicContact OE2-CZ 2.81Å; E541-R544 VanDerWaalsContact OE2-CZ 3.29Å; E541-R544 IonicContact OE2-NE 3.32Å; E541-R544 IonicContact OE2-NH1 2.65Å; E541-R544 PolarHBondContact OE2-NH1 3.4Å; E541-R544 IonicContact OE2-NH2 3.4Å; E541-T545 PolarHBondContact O-N 2.85Å; E541-T545 PolarHBondContact O-OG1 3.26Å; E541-M905 HydrophobicContact CG-CE 3.84Å; E541-K957 HydrophobicContact CG-CD 4.19Å; E541-K957 IonicContact OE1-NZ 3.29Å; E541-K957 PolarHBondContact OE1-NZ 3.38Å |
| 542 | M | 91.6 | Very high | 91.1 | Very high | 21 Ų | 21 | 23 Ų | 23 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.3 | -50.1 | 173.5 | -66.3 | 176.7 | 89.3 | 0 | 0 | 110 | F524 M538 I539 R544 T545 E546 M905 | F524-M542 HydrophobicContact CB-CB 4.38Å; F524-M542 HydrophobicContact CB-CE 3.37Å; F524-M542 HydrophobicContact CB-SD 4.08Å; F524-M542 HydrophobicContact CD2-CB 3.91Å; F524-M542 HydrophobicContact CD2-SD 4.49Å; F524-M542 HydrophobicContact CE2-CB 4.36Å; F524-M542 HydrophobicContact CG-CB 4.11Å; F524-M542 HydrophobicContact CG-CE 4.36Å; M538-M542 HydrophobicContact CE-CG 3.88Å; M538-M542 HydrophobicContact CE-SD 4.08Å; M538-M542 HydrophobicContact CG-CG 4.4Å; M538-M542 HydrophobicContact CG-SD 4.18Å; M538-M542 WeakPolarHBondContact O-CG 3.17Å; M538-M542 PolarHBondContact O-N 2.91Å; I539-M542 PolarHBondContact O-N 2.97Å; M542-R544 VanDerWaalsContact C-N 3.26Å; M542-R544 PolarHBondContact O-N 3.27Å; M542-T545 PolarHBondContact O-N 2.78Å; M542-E546 WeakPolarHBondContact O-CG 3.11Å; M542-E546 PolarHBondContact O-N 3.34Å; M542-M905 HydrophobicContact CG-CE 4.23Å |
| 543 | L | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.5 | -43.7 | 174.8 | 178.4 | 64.5 | 0 | 0 | 0 | 111.6 | F524 I539 T545 E546 L547 L562 F564 T585 L589 | F524-L543 HydrophobicContact CE2-CB 4.43Å; F524-L543 HydrophobicContact CZ-CB 4.1Å; F524-L543 HydrophobicContact CZ-CD1 4.13Å; I539-L543 WeakPolarHBondContact O-CB 3.44Å; I539-L543 PolarHBondContact O-N 3.46Å; L543-T545 PolarHBondContact O-N 3.3Å; L543-E546 PolarHBondContact O-N 3.41Å; L543-L547 HydrophobicContact CD1-CD1 3.87Å; L543-L547 HydrophobicContact CD1-CD2 4.44Å; L543-L547 HydrophobicContact CD1-CG 3.94Å; L543-L547 HydrophobicContact CG-CD1 3.84Å; L543-L547 HydrophobicContact CG-CG 4.3Å; L543-L547 WeakPolarHBondContact O-CB 3.25Å; L543-L547 WeakPolarHBondContact O-CG 3.45Å; L543-L547 PolarHBondContact O-N 2.86Å; L543-L562 HydrophobicContact CD1-CD1 4.26Å; L543-L562 HydrophobicContact CD1-CD2 3.9Å; L543-F564 HydrophobicContact CB-CE2 4.42Å; L543-F564 HydrophobicContact CD1-CD2 4.03Å; L543-F564 HydrophobicContact CD1-CE2 4.25Å; L543-F564 HydrophobicContact CD2-CD2 4.24Å; L543-F564 HydrophobicContact CD2-CE1 4.45Å; L543-F564 HydrophobicContact CD2-CE2 3.96Å; L543-F564 HydrophobicContact CD2-CZ 4.08Å; L543-F564 HydrophobicContact CG-CE2 4.44Å; L543-T585 HydrophobicContact CD2-CG2 4.14Å; L543-L589 HydrophobicContact CD2-CD1 4.37Å |
| 544 | R | 92 | Very high | 91.2 | Very high | 87 Ų | 87 | 23.6 Ų | 23.6 | 33% | 0.328 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -55.7 | -49.5 | 173.9 | 165.8 | 171.3 | -39.2 | 134.2 | 20 | 112.2 | V540 E541 M542 A548 F594 A595 | V540-R544 VanDerWaalsContact O-CB 3.27Å; V540-R544 WeakPolarHBondContact O-CB 3.44Å; V540-R544 PolarHBondContact O-N 3.09Å; E541-R544 WeakPolarHBondContact O-CB 3.19Å; E541-R544 PolarHBondContact O-N 2.93Å; E541-R544 IonicContact OE2-CZ 2.81Å; E541-R544 VanDerWaalsContact OE2-CZ 3.29Å; E541-R544 IonicContact OE2-NE 3.32Å; E541-R544 IonicContact OE2-NH1 2.65Å; E541-R544 PolarHBondContact OE2-NH1 3.4Å; E541-R544 IonicContact OE2-NH2 3.4Å; M542-R544 VanDerWaalsContact C-N 3.26Å; M542-R544 PolarHBondContact O-N 3.27Å; R544-A548 PolarHBondContact O-N 3.42Å; R544-A548 VanDerWaalsContact O-N 3.16Å; R544-F594 HydrophobicContact CB-CE1 3.73Å; R544-F594 HydrophobicContact CB-CZ 4.37Å; R544-A595 HydrophobicContact CB-CB 4.27Å; R544-A595 HydrophobicContact CG-CB 3.34Å |
| 545 | T | 89.4 | Confident | 90.9 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 9% | 0.086 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -43.8 | -177.4 | -55 | 0 | 0 | 0 | 0 | 110.8 | E541 M542 L543 A548 Y549 | E541-T545 PolarHBondContact O-N 2.85Å; E541-T545 PolarHBondContact O-OG1 3.26Å; M542-T545 PolarHBondContact O-N 2.78Å; L543-T545 PolarHBondContact O-N 3.3Å; T545-A548 PolarHBondContact O-N 2.95Å; T545-Y549 WeakPolarHBondContact O-CB 3.48Å; T545-Y549 PolarHBondContact O-N 3.22Å |
| 546 | E | 90.6 | Very high | 90.7 | Very high | 32 Ų | 32 | 28.1 Ų | 28.1 | 15% | 0.15 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.1 | -39.7 | -179.9 | -65.6 | -48.5 | 129.9 | 0 | 0 | 112.7 | V504 F524 M542 L543 Y549 L550 | V504-E546 WeakPolarHBondContact CB-OE2 3.47Å; V504-E546 WeakPolarHBondContact CG1-OE2 3.46Å; V504-E546 HydrophobicContact CG2-CB 4.23Å; F524-E546 HydrophobicContact CD1-CG 3.84Å; F524-E546 HydrophobicContact CE1-CB 4.32Å; F524-E546 HydrophobicContact CE1-CG 3.89Å; M542-E546 WeakPolarHBondContact O-CG 3.11Å; M542-E546 PolarHBondContact O-N 3.34Å; L543-E546 PolarHBondContact O-N 3.41Å; E546-Y549 PolarHBondContact O-N 2.73Å; E546-L550 WeakPolarHBondContact O-CB 3.48Å; E546-L550 WeakPolarHBondContact O-CG 3.32Å; E546-L550 PolarHBondContact O-N 3.27Å |
| 547 | L | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 175.4 | -70.9 | 173.4 | 0 | 0 | 0 | 112.1 | V440 V442 L543 Y549 S551 L562 L589 F594 A597 V599 | V440-L547 HydrophobicContact CB-CD2 4.18Å; V440-L547 HydrophobicContact CG1-CD2 3.56Å; V442-L547 HydrophobicContact CG2-CD2 3.76Å; L543-L547 HydrophobicContact CD1-CD1 3.87Å; L543-L547 HydrophobicContact CD1-CD2 4.44Å; L543-L547 HydrophobicContact CD1-CG 3.94Å; L543-L547 HydrophobicContact CG-CD1 3.84Å; L543-L547 HydrophobicContact CG-CG 4.3Å; L543-L547 WeakPolarHBondContact O-CB 3.25Å; L543-L547 WeakPolarHBondContact O-CG 3.45Å; L543-L547 PolarHBondContact O-N 2.86Å; L547-Y549 VanDerWaalsContact C-N 3.35Å; L547-S551 WeakPolarHBondContact O-CB 3.38Å; L547-S551 PolarHBondContact O-N 2.9Å; L547-L562 HydrophobicContact CD2-CD1 4.13Å; L547-L589 HydrophobicContact CD1-CD2 3.88Å; L547-F594 HydrophobicContact CD1-CD1 3.66Å; L547-F594 HydrophobicContact CD1-CE1 4.29Å; L547-F594 HydrophobicContact CD1-CG 4.49Å; L547-A597 HydrophobicContact CB-CB 4.32Å; L547-V599 HydrophobicContact CD1-CG1 4.19Å; L547-V599 HydrophobicContact CD2-CG1 4.43Å |
| 548 | A | 90.3 | Very high | 90.4 | Very high | 37 Ų | 37 | 32 Ų | 32 | 31% | 0.306 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | R544 T545 S551 S552 | R544-A548 PolarHBondContact O-N 3.42Å; R544-A548 VanDerWaalsContact O-N 3.16Å; T545-A548 PolarHBondContact O-N 2.95Å; A548-S551 PolarHBondContact O-N 3.46Å; A548-S552 PolarHBondContact O-N 2.97Å; A548-S552 PolarHBondContact O-OG 3.39Å |
| 549 | Y | 88.4 | Confident | 90.5 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 177.7 | -177 | -106.5 | 0 | 0 | 0 | 112.4 | E236 V504 L505 T545 E546 L547 S551 S552 C553 | E236-Y549 HydrophobicContact CG-CE2 4.17Å; E236-Y549 WeakPolarHBondContact CG-OH 3.37Å; V504-Y549 HydrophobicContact CG1-CD1 3.53Å; V504-Y549 HydrophobicContact CG1-CE1 3.98Å; L505-Y549 HydrophobicContact CD1-CE1 3.91Å; L505-Y549 HydrophobicContact CD2-CE1 4.48Å; L505-Y549 HydrophobicContact CG-CE1 3.92Å; T545-Y549 WeakPolarHBondContact O-CB 3.48Å; T545-Y549 PolarHBondContact O-N 3.22Å; E546-Y549 PolarHBondContact O-N 2.73Å; L547-Y549 VanDerWaalsContact C-N 3.35Å; Y549-S551 VanDerWaalsContact C-N 3.31Å; Y549-S551 PolarHBondContact O-N 3.37Å; Y549-S552 PolarHBondContact O-N 3.2Å; Y549-S552 PolarHBondContact O-OG 3.31Å; Y549-C553 HydrophobicContact CD2-CB 4.49Å; Y549-C553 VanDerWaalsContact CD2-SG 3.57Å; Y549-C553 HydrophobicContact CE2-CB 4.27Å; Y549-C553 WeakPolarHBondContact CE2-SG 3.47Å; Y549-C553 WeakPolarHBondContact O-CB 3.46Å; Y549-C553 PolarHBondContact O-N 3.44Å; Y549-C553 PolarHBondContact O-SG 3.5Å; Y549-C553 VanDerWaalsContact O-SG 3.42Å |
| 550 | L | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.3 | -45.7 | 172.6 | -76.3 | 175.3 | 0 | 0 | 0 | 111.5 | V440 V504 L505 E546 S552 W554 P560 L562 | V440-L550 HydrophobicContact CG1-CB 4.45Å; V440-L550 HydrophobicContact CG1-CD1 3.76Å; V440-L550 HydrophobicContact CG2-CB 3.94Å; V504-L550 HydrophobicContact CB-CD2 4.47Å; V504-L550 HydrophobicContact CG1-CD2 3.86Å; V504-L550 HydrophobicContact CG1-CG 3.97Å; V504-L550 HydrophobicContact CG2-CD1 3.88Å; V504-L550 HydrophobicContact CG2-CD2 4.08Å; V504-L550 HydrophobicContact CG2-CG 3.97Å; L505-L550 HydrophobicContact CD2-CD2 3.92Å; E546-L550 WeakPolarHBondContact O-CB 3.48Å; E546-L550 WeakPolarHBondContact O-CG 3.32Å; E546-L550 PolarHBondContact O-N 3.27Å; L550-S552 VanDerWaalsContact C-N 3.3Å; L550-S552 PolarHBondContact O-N 2.81Å; L550-W554 HydrophobicContact CD2-CE3 4.09Å; L550-W554 HydrophobicContact CD2-CZ3 4.33Å; L550-W554 WeakPolarHBondContact O-CB 3.43Å; L550-W554 PolarHBondContact O-N 3.2Å; L550-P560 HydrophobicContact CD1-CB 4.48Å; L550-P560 HydrophobicContact CD2-CB 4.21Å; L550-L562 HydrophobicContact CD1-CB 4.29Å; L550-L562 HydrophobicContact CD1-CD1 3.88Å |
| 551 | S | 91.7 | Very high | 90.8 | Very high | 28 Ų | 28 | 36.3 Ų | 36.3 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -34.7 | 179.7 | -172.6 | 0 | 0 | 0 | 0 | 112.6 | L547 A548 Y549 | L547-S551 WeakPolarHBondContact O-CB 3.38Å; L547-S551 PolarHBondContact O-N 2.9Å; A548-S551 PolarHBondContact O-N 3.46Å; Y549-S551 VanDerWaalsContact C-N 3.31Å; Y549-S551 PolarHBondContact O-N 3.37Å |
| 552 | S | 86.8 | Confident | 91.1 | Very high | 64 Ų | 64 | 35.5 Ų | 35.5 | 45% | 0.448 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -85.5 | -29.9 | -178.6 | 58 | 0 | 0 | 0 | 0 | 113.7 | A548 Y549 L550 R555 | A548-S552 PolarHBondContact O-N 2.97Å; A548-S552 PolarHBondContact O-OG 3.39Å; Y549-S552 PolarHBondContact O-N 3.2Å; Y549-S552 PolarHBondContact O-OG 3.31Å; L550-S552 VanDerWaalsContact C-N 3.3Å; L550-S552 PolarHBondContact O-N 2.81Å; S552-R555 PolarHBondContact O-NH1 2.88Å; S552-R555 PolarHBondContact O-NH2 3.44Å |
| 553 | C | 88.9 | Confident | 91.3 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 8% | 0.081 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -112.8 | -11.7 | -166.6 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | E236 L505 Y549 R555 | E236-C553 HydrophobicContact CG-CB 3.84Å; E236-C553 PolarHBondContact OE1-SG 3.05Å; L505-C553 HydrophobicContact CD1-CB 4.42Å; L505-C553 HydrophobicContact CD2-CB 4.24Å; Y549-C553 HydrophobicContact CD2-CB 4.49Å; Y549-C553 VanDerWaalsContact CD2-SG 3.57Å; Y549-C553 HydrophobicContact CE2-CB 4.27Å; Y549-C553 WeakPolarHBondContact CE2-SG 3.47Å; Y549-C553 WeakPolarHBondContact O-CB 3.46Å; Y549-C553 PolarHBondContact O-N 3.44Å; Y549-C553 PolarHBondContact O-SG 3.5Å; Y549-C553 VanDerWaalsContact O-SG 3.42Å; C553-R555 WeakPolarHBondContact O-CG 3.49Å; C553-R555 PolarHBondContact O-N 2.97Å |
| 554 | W | 91.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | trans | -67.8 | 124.1 | 178 | -167.5 | -95.2 | 0 | 0 | 0 | 111.8 | V438 L505 S508 K509 L550 M556 G558 P560 F612 | V438-W554 HydrophobicContact CG1-CB 4.03Å; V438-W554 HydrophobicContact CG1-CG 4.4Å; V438-W554 HydrophobicContact CG2-CB 4.2Å; L505-W554 HydrophobicContact CD2-CE3 3.84Å; L505-W554 HydrophobicContact CD2-CZ3 4.47Å; L505-W554 WeakPolarHBondContact O-CZ3 3.29Å; S508-W554 WeakPolarHBondContact O-CH2 3.49Å; K509-W554 HydrophobicContact CB-CH2 4.2Å; L550-W554 HydrophobicContact CD2-CE3 4.09Å; L550-W554 HydrophobicContact CD2-CZ3 4.33Å; L550-W554 WeakPolarHBondContact O-CB 3.43Å; L550-W554 PolarHBondContact O-N 3.2Å; W554-M556 HydrophobicContact CH2-SD 4.15Å; W554-M556 HydrophobicContact CZ2-CB 4.24Å; W554-M556 HydrophobicContact CZ2-SD 4.25Å; W554-M556 HydrophobicContact CZ3-SD 4.4Å; W554-M556 PolarHBondContact NE1-O 3.29Å; W554-G558 PolarHBondContact NE1-O 2.73Å; W554-P560 HydrophobicContact CB-CG 4.26Å; W554-P560 HydrophobicContact CD2-CB 3.64Å; W554-P560 HydrophobicContact CD2-CG 3.87Å; W554-P560 HydrophobicContact CE3-CB 3.63Å; W554-P560 HydrophobicContact CE3-CG 4.28Å; W554-P560 HydrophobicContact CG-CB 4.2Å; W554-P560 HydrophobicContact CG-CG 3.88Å; W554-P560 HydrophobicContact CH2-CB 3.99Å; W554-P560 HydrophobicContact CZ2-CB 4.02Å; W554-P560 HydrophobicContact CZ3-CB 3.81Å; W554-F612 HydrophobicContact CH2-CB 4.3Å; W554-F612 HydrophobicContact CZ2-CB 3.61Å; W554-F612 HydrophobicContact CZ2-CG 4.18Å | ||
| 555 | R | 83.1 | Confident | 91.6 | Very high | 101 Ų | 101 | 31.2 Ų | 31.2 | 38% | 0.381 | 17% | 0.174 | S | C | . | . | trans | -124.8 | -4 | -178.8 | -60.8 | -56.8 | -178.9 | -100.9 | -5.1 | 114.4 | E271 K435 S552 C553 | E271-R555 IonicContact OE1-NE 2.76Å; E271-R555 IonicContact OE2-CZ 3.67Å; E271-R555 IonicContact OE2-NE 3.87Å; E271-R555 PolarHBondContact OE2-NE 3.38Å; E271-R555 IonicContact OE2-NH2 2.65Å; E271-R555 PolarHBondContact OE2-NH2 3.41Å; K435-R555 VanDerWaalsContact CD-CD 3.41Å; K435-R555 VanDerWaalsContact NZ-NE 3.15Å; S552-R555 PolarHBondContact O-NH1 2.88Å; S552-R555 PolarHBondContact O-NH2 3.44Å; C553-R555 WeakPolarHBondContact O-CG 3.49Å; C553-R555 PolarHBondContact O-N 2.97Å | ||
| 556 | M | 87 | Confident | 91.8 | Very high | 34 Ų | 34 | 30.5 Ų | 30.5 | 17% | 0.167 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -83.8 | 154.7 | -172.6 | -50.6 | 173.1 | 84.8 | 0 | 0 | 111 | P232 K509 W554 G558 F612 | P232-M556 HydrophobicContact CB-SD 4.27Å; P232-M556 HydrophobicContact CG-SD 4.24Å; K509-M556 HydrophobicContact CD-CE 4.42Å; W554-M556 HydrophobicContact CH2-SD 4.15Å; W554-M556 HydrophobicContact CZ2-CB 4.24Å; W554-M556 HydrophobicContact CZ2-SD 4.25Å; W554-M556 HydrophobicContact CZ3-SD 4.4Å; W554-M556 PolarHBondContact NE1-O 3.29Å; M556-G558 PolarHBondContact O-N 3.46Å; M556-F612 HydrophobicContact CB-CD2 3.42Å; M556-F612 VanDerWaalsContact CB-CD2 3.42Å; M556-F612 HydrophobicContact CB-CE2 3.59Å; M556-F612 HydrophobicContact CB-CG 4.19Å; M556-F612 HydrophobicContact CB-CZ 4.41Å; M556-F612 HydrophobicContact CE-CD1 3.87Å; M556-F612 HydrophobicContact CE-CD2 4.14Å; M556-F612 HydrophobicContact CE-CE1 3.28Å; M556-F612 HydrophobicContact CE-CE2 3.65Å; M556-F612 HydrophobicContact CE-CG 4.29Å; M556-F612 HydrophobicContact CE-CZ 3.19Å; M556-F612 HydrophobicContact CG-CD2 4.47Å; M556-F612 HydrophobicContact CG-CE2 4.4Å; M556-F612 HydrophobicContact SD-CD1 4.44Å; M556-F612 HydrophobicContact SD-CD2 4.47Å; M556-F612 HydrophobicContact SD-CE1 4.4Å; M556-F612 HydrophobicContact SD-CE2 4.48Å; M556-F612 HydrophobicContact SD-CZ 4.46Å |
| 557 | T | 87 | Confident | 91.9 | Very high | 136 Ų | 136 | 30.2 Ų | 30.2 | 83% | 0.834 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -76.7 | 109.5 | -179.3 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | F612 | T557-F612 WeakPolarHBondContact O-CD2 3.34Š|
| 558 | G | 91.5 | Very high | 91.7 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 32% | 0.32 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 124.8 | 164.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | W554 M556 | W554-G558 PolarHBondContact NE1-O 2.73Å; M556-G558 PolarHBondContact O-N 3.46Å |
| 559 | R | 93.6 | Very high | 91.5 | Very high | 95 Ų | 95 | 39.5 Ų | 39.5 | 36% | 0.358 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -86.8 | 141.6 | -177.6 | -67 | -179 | -177.6 | -171.3 | 0.5 | 111.3 | Q441 T561 T610 S611 F612 | Q441-R559 HydrophobicContact CG-CB 4.07Å; Q441-R559 VanDerWaalsContact OE1-CB 3.27Å; R559-T561 PolarHBondContact O-N 2.92Å; R559-T610 PolarHBondContact N-O 3.09Å; R559-S611 WeakPolarHBondContact O-CA 3.42Å; R559-F612 PolarHBondContact O-N 3.21Å |
| 560 | P | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -65.1 | 132.9 | 169.9 | 21 | -23.3 | 0 | 0 | 0 | 109.6 | V438 V440 Q441 L550 W554 | V438-P560 HydrophobicContact CG1-CG 3.58Å; V440-P560 HydrophobicContact CB-CG 4.36Å; V440-P560 HydrophobicContact CG1-CB 4.43Å; V440-P560 HydrophobicContact CG1-CG 4.29Å; V440-P560 HydrophobicContact CG2-CG 4.06Å; Q441-P560 PolarHBondContact N-O 2.9Å; L550-P560 HydrophobicContact CD1-CB 4.48Å; L550-P560 HydrophobicContact CD2-CB 4.21Å; W554-P560 HydrophobicContact CB-CG 4.26Å; W554-P560 HydrophobicContact CD2-CB 3.64Å; W554-P560 HydrophobicContact CD2-CG 3.87Å; W554-P560 HydrophobicContact CE3-CB 3.63Å; W554-P560 HydrophobicContact CE3-CG 4.28Å; W554-P560 HydrophobicContact CG-CB 4.2Å; W554-P560 HydrophobicContact CG-CG 3.88Å; W554-P560 HydrophobicContact CH2-CB 3.99Å; W554-P560 HydrophobicContact CZ2-CB 4.02Å; W554-P560 HydrophobicContact CZ3-CB 3.81Å | ||
| 561 | T | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 101.2 | -179.2 | -55.7 | 0 | 0 | 0 | 0 | 110 | Q441 S508 F510 I519 R559 L604 V607 S611 | Q441-T561 HydrophobicContact CB-CG2 4.41Å; Q441-T561 CarbonylContact O-C 3.58Å; Q441-T561 WeakPolarHBondContact O-CA 3.42Å; Q441-T561 PolarHBondContact OE1-OG1 2.68Å; Q441-T561 VanDerWaalsContact OE1-OG1 3.09Å; S508-T561 CarbonylContact C-O 3.54Å; S508-T561 VanDerWaalsContact C-O 3.26Å; S508-T561 WeakPolarHBondContact CA-O 3.33Å; S508-T561 PolarHBondContact O-N 3.18Å; F510-T561 HydrophobicContact CE2-CG2 4.03Å; I519-T561 HydrophobicContact CD1-CG2 3.91Å; R559-T561 PolarHBondContact O-N 2.92Å; T561-L604 HydrophobicContact CG2-CD1 4.33Å; T561-V607 HydrophobicContact CG2-CG2 3.88Å; T561-S611 VanDerWaalsContact OG1-CB 3.29Å; T561-S611 WeakPolarHBondContact OG1-CB 3.44Å; T561-S611 PolarHBondContact OG1-OG 2.87Å |
| 562 | L | 96.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.8 | 178.6 | -175.7 | 148.4 | 0 | 0 | 0 | 109.8 | Q441 V442 C443 V504 P522 L543 L547 L550 F564 | Q441-L562 PolarHBondContact O-N 3.46Å; V442-L562 WeakPolarHBondContact CA-O 3.43Å; V442-L562 HydrophobicContact CG1-CD2 4.21Å; C443-L562 PolarHBondContact N-O 3.38Å; V504-L562 HydrophobicContact CG2-CD1 4.1Å; P522-L562 HydrophobicContact CG-CD1 3.92Å; P522-L562 HydrophobicContact CG-CD2 4.2Å; P522-L562 HydrophobicContact CG-CG 3.73Å; L543-L562 HydrophobicContact CD1-CD1 4.26Å; L543-L562 HydrophobicContact CD1-CD2 3.9Å; L547-L562 HydrophobicContact CD2-CD1 4.13Å; L550-L562 HydrophobicContact CD1-CB 4.29Å; L550-L562 HydrophobicContact CD1-CD1 3.88Å; L562-F564 HydrophobicContact CD2-CB 3.94Å; L562-F564 HydrophobicContact CD2-CD2 4.46Å |
| 563 | T | 96 | Very high | 91.1 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 122.9 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | C443 L445 V473 I519 T521 P522 P565 | C443-T563 WeakPolarHBondContact O-CA 3.4Å; L445-T563 HydrophobicContact CD1-CG2 3.62Å; L445-T563 HydrophobicContact CG-CG2 4.21Å; V473-T563 HydrophobicContact CG1-CG2 4.05Å; I519-T563 WeakPolarHBondContact CD1-OG1 3.41Å; I519-T563 WeakPolarHBondContact CG1-OG1 3.43Å; T521-T563 HydrophobicContact CG2-CG2 4.42Å; P522-T563 WeakPolarHBondContact CD-O 3.41Å; T563-P565 WeakPolarHBondContact O-CD 3.46Å |
| 564 | F | 95.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 87.2 | -174.6 | -168 | -102.1 | 0 | 0 | 0 | 111 | V442 C443 V444 L445 F524 L525 I539 L543 L562 I566 M570 | V442-F564 HydrophobicContact CG1-CB 4.33Å; C443-F564 PolarHBondContact O-N 2.84Å; V444-F564 WeakPolarHBondContact CA-O 3.23Å; L445-F564 PolarHBondContact N-O 3.33Å; F524-F564 HydrophobicContact CE2-CE2 4.03Å; F524-F564 HydrophobicContact CZ-CD2 4.28Å; F524-F564 HydrophobicContact CZ-CE2 4.11Å; L525-F564 HydrophobicContact CD1-CD2 3.86Å; L525-F564 HydrophobicContact CD1-CE2 4.22Å; L525-F564 HydrophobicContact CD2-CD2 4.35Å; L525-F564 HydrophobicContact CD2-CE2 3.86Å; I539-F564 HydrophobicContact CG2-CE2 3.95Å; I539-F564 HydrophobicContact CG2-CZ 3.78Å; L543-F564 HydrophobicContact CB-CE2 4.42Å; L543-F564 HydrophobicContact CD1-CD2 4.03Å; L543-F564 HydrophobicContact CD1-CE2 4.25Å; L543-F564 HydrophobicContact CD2-CD2 4.24Å; L543-F564 HydrophobicContact CD2-CE1 4.45Å; L543-F564 HydrophobicContact CD2-CE2 3.96Å; L543-F564 HydrophobicContact CD2-CZ 4.08Å; L543-F564 HydrophobicContact CG-CE2 4.44Å; L562-F564 HydrophobicContact CD2-CB 3.94Å; L562-F564 HydrophobicContact CD2-CD2 4.46Å; F564-I566 HydrophobicContact CD1-CD1 3.74Å; F564-I566 HydrophobicContact CE1-CD1 3.51Å; F564-M570 HydrophobicContact CE1-SD 4.44Å; F564-M570 HydrophobicContact CZ-CE 4.26Å; F564-M570 HydrophobicContact CZ-SD 4.44Å |
| 565 | P | 95.3 | Very high | 90.4 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 133.6 | 175.7 | 28.6 | -36.6 | 0 | 0 | 0 | 112.2 | L445 T521 L525 T563 | L445-P565 CarbonylContact O-C 3.12Å; L445-P565 WeakPolarHBondContact O-CA 3.49Å; T521-P565 HydrophobicContact CG2-CG 3.9Å; L525-P565 HydrophobicContact CD1-CG 4.15Å; T563-P565 WeakPolarHBondContact O-CD 3.46Å |
| 566 | I | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 117 | 167.8 | -52.8 | -56.5 | 0 | 0 | 0 | 108.3 | V444 L445 E447 I451 L455 F564 M570 I578 I582 L586 | V444-I566 HydrophobicContact CG1-CD1 4.11Å; V444-I566 HydrophobicContact CG1-CG1 3.71Å; L445-I566 PolarHBondContact O-N 3.4Å; E447-I566 VanDerWaalsContact CB-O 3.32Å; E447-I566 WeakPolarHBondContact CB-O 3.44Å; E447-I566 PolarHBondContact N-O 3.48Å; I451-I566 HydrophobicContact CG2-CB 4.04Å; I451-I566 HydrophobicContact CG2-CG2 3.74Å; L455-I566 HydrophobicContact CD1-CB 4.2Å; L455-I566 HydrophobicContact CD1-CG1 4.04Å; L455-I566 HydrophobicContact CD1-CG2 4.43Å; F564-I566 HydrophobicContact CD1-CD1 3.74Å; F564-I566 HydrophobicContact CE1-CD1 3.51Å; I566-M570 HydrophobicContact CD1-SD 3.91Å; I566-M570 HydrophobicContact CG2-CB 4.24Å; I566-M570 HydrophobicContact CG2-SD 4.38Å; I566-I578 HydrophobicContact CG2-CD1 4.21Å; I566-I582 HydrophobicContact CD1-CG2 3.98Å; I566-L586 HydrophobicContact CD1-CD1 4.42Å; I566-L586 HydrophobicContact CD1-CD2 4.45Å |
| 567 | T | 91.8 | Very high | 90.9 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | trans | -108.8 | 170.5 | -177 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | E447 S569 M570 | E447-T567 HydrophobicContact CB-CG2 4.47Å; E447-T567 VanDerWaalsContact OE2-CA 3.25Å; E447-T567 WeakPolarHBondContact OE2-CA 3.46Å; E447-T567 WeakPolarHBondContact OE2-CB 3.48Å; T567-S569 PolarHBondContact O-N 3.34Å; T567-S569 PolarHBondContact OG1-OG 2.97Å; T567-M570 WeakPolarHBondContact O-CB 3.49Å; T567-M570 PolarHBondContact O-N 2.94Å | ||
| 568 | R | 89 | Confident | 91.2 | Very high | 193 Ų | 193 | 43.2 Ų | 43.2 | 73% | 0.728 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -56.3 | -29.9 | 177.4 | -172.4 | 174.4 | -179.3 | 169.1 | 0 | 114.3 | E447 M570 L571 | E447-R568 PolarHBondContact OE2-N 3.26Å; R568-M570 PolarHBondContact O-N 2.59Å; R568-L571 HydrophobicContact CG-CD1 4.29Å; R568-L571 WeakPolarHBondContact O-CB 3.47Å; R568-L571 WeakPolarHBondContact O-CG 3.45Å; R568-L571 PolarHBondContact O-N 3.44Å |
| 569 | S | 87.2 | Confident | 91.3 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -70 | -16.7 | 179.2 | 60.8 | 0 | 0 | 0 | 0 | 113.5 | H527 N536 T567 L571 | H527-S569 PolarHBondContact CE1-OG 3.17Å; N536-S569 PolarHBondContact OD1-O 3.21Å; T567-S569 PolarHBondContact O-N 3.34Å; T567-S569 PolarHBondContact OG1-OG 2.97Å; S569-L571 VanDerWaalsContact C-N 3.29Å |
| 570 | M | 92.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -89.6 | 8.6 | 177.9 | -59.7 | -175.6 | -170.5 | 0 | 0 | 113.2 | L525 I539 F564 I566 T567 R568 D579 I582 | L525-M570 HydrophobicContact CD2-CE 3.92Å; I539-M570 HydrophobicContact CD1-CE 3.92Å; I539-M570 HydrophobicContact CD1-CG 4.32Å; I539-M570 HydrophobicContact CG2-CE 4.35Å; F564-M570 HydrophobicContact CE1-SD 4.44Å; F564-M570 HydrophobicContact CZ-CE 4.26Å; F564-M570 HydrophobicContact CZ-SD 4.44Å; I566-M570 HydrophobicContact CD1-SD 3.91Å; I566-M570 HydrophobicContact CG2-CB 4.24Å; I566-M570 HydrophobicContact CG2-SD 4.38Å; T567-M570 WeakPolarHBondContact O-CB 3.49Å; T567-M570 PolarHBondContact O-N 2.94Å; R568-M570 PolarHBondContact O-N 2.59Å; M570-D579 VanDerWaalsContact O-CB 3.25Å; M570-D579 WeakPolarHBondContact O-CB 3.44Å; M570-D579 PolarHBondContact O-N 2.54Å; M570-I582 HydrophobicContact CB-CG1 4.24Å; M570-I582 HydrophobicContact SD-CD1 4.34Å |
| 571 | L | 91.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -91.1 | 164.6 | 173.2 | -52.9 | -174.9 | 0 | 0 | 0 | 110.7 | I451 L454 R568 S569 A577 I578 | I451-L571 HydrophobicContact CG1-CD1 4.41Å; L454-L571 HydrophobicContact CD1-CD1 4.36Å; L454-L571 HydrophobicContact CD1-CD2 4.22Å; R568-L571 HydrophobicContact CG-CD1 4.29Å; R568-L571 WeakPolarHBondContact O-CB 3.47Å; R568-L571 WeakPolarHBondContact O-CG 3.45Å; R568-L571 PolarHBondContact O-N 3.44Å; S569-L571 VanDerWaalsContact C-N 3.29Å; L571-A577 WeakPolarHBondContact CA-O 3.49Å; L571-A577 WeakPolarHBondContact CB-O 3.35Å; L571-I578 HydrophobicContact CD2-CD1 3.54Å; L571-I578 HydrophobicContact CD2-CG1 4.49Å |
| 572 | V | 88.3 | Confident | 91.2 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 28% | 0.279 | 24% | 0.238 | S | C | . | . | trans | -66 | 163.7 | 165.7 | -68.3 | 0 | 0 | 0 | 0 | 110.9 | D574 G575 A577 | V572-D574 WeakPolarHBondContact CG2-OD1 3.19Å; V572-D574 PolarHBondContact O-N 3.41Å; V572-D574 VanDerWaalsContact O-N 3.1Å; V572-G575 WeakPolarHBondContact O-CA 3.41Å; V572-G575 PolarHBondContact O-N 3.05Å; V572-A577 HydrophobicContact CG2-CB 3.92Å; V572-A577 VanDerWaalsContact CG2-O 3.32Å; V572-A577 WeakPolarHBondContact CG2-O 3.46Å; V572-A577 PolarHBondContact N-O 3.17Å | ||
| 573 | E | 77.5 | Confident | 91.1 | Very high | 150 Ų | 150 | 45.9 Ų | 45.9 | 70% | 0.701 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.8 | -170.9 | -69.3 | -177.1 | 174.7 | 0 | 0 | 114.5 | G575 | E573-G575 VanDerWaalsContact C-N 3.32Š|
| 574 | D | 81.3 | Confident | 91 | Very high | 112 Ų | 112 | 48.5 Ų | 48.5 | 60% | 0.599 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -12.7 | 177 | 61 | 16.8 | 0 | 0 | 0 | 113.6 | V572 E576 | V572-D574 WeakPolarHBondContact CG2-OD1 3.19Å; V572-D574 PolarHBondContact O-N 3.41Å; V572-D574 VanDerWaalsContact O-N 3.1Å; D574-E576 VanDerWaalsContact C-N 3.26Å; D574-E576 HydrophobicContact CB-CG 4.34Å; D574-E576 PolarHBondContact O-N 3.09Å; D574-E576 WeakPolarHBondContact OD1-CB 3.24Å; D574-E576 PolarHBondContact OD1-N 3.37Å |
| 575 | G | 83.4 | Confident | 91 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 9% | 0.093 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 70.8 | 17.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K450 V572 E573 | K450-G575 PolarHBondContact NZ-O 2.79Å; V572-G575 WeakPolarHBondContact O-CA 3.41Å; V572-G575 PolarHBondContact O-N 3.05Å; E573-G575 VanDerWaalsContact C-N 3.32Å |
| 576 | E | 88.8 | Confident | 91 | Very high | 118 Ų | 118 | 48.1 Ų | 48.1 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -100.2 | -11.9 | -175.8 | -64 | -59.2 | 112.6 | 0 | 0 | 113.4 | K450 L454 D574 | K450-E576 IonicContact NZ-OE1 3.81Å; K450-E576 PolarHBondContact NZ-OE1 3.01Å; L454-E576 WeakPolarHBondContact CD2-O 3.21Å; D574-E576 VanDerWaalsContact C-N 3.26Å; D574-E576 HydrophobicContact CB-CG 4.34Å; D574-E576 PolarHBondContact O-N 3.09Å; D574-E576 WeakPolarHBondContact OD1-CB 3.24Å; D574-E576 PolarHBondContact OD1-N 3.37Å |
| 577 | A | 91.9 | Very high | 90.9 | Very high | 45 Ų | 45 | 54 Ų | 54 | 37% | 0.372 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -144.8 | 161.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L571 V572 | L571-A577 WeakPolarHBondContact CA-O 3.49Å; L571-A577 WeakPolarHBondContact CB-O 3.35Å; V572-A577 HydrophobicContact CG2-CB 3.92Å; V572-A577 VanDerWaalsContact CG2-O 3.32Å; V572-A577 WeakPolarHBondContact CG2-O 3.46Å; V572-A577 PolarHBondContact N-O 3.17Å |
| 578 | I | 94.1 | Very high | 91 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 140.6 | 171.1 | -52.9 | -71.5 | 0 | 0 | 0 | 108.9 | I451 L454 L455 I566 L571 I582 L583 | I451-I578 HydrophobicContact CG2-CD1 4.35Å; L454-I578 HydrophobicContact CB-CD1 4.13Å; L454-I578 HydrophobicContact CB-CG1 4.16Å; L455-I578 HydrophobicContact CD2-CD1 3.8Å; L455-I578 HydrophobicContact CD2-CG1 3.91Å; L455-I578 HydrophobicContact CG-CD1 3.81Å; L455-I578 HydrophobicContact CG-CG1 4.23Å; I566-I578 HydrophobicContact CG2-CD1 4.21Å; L571-I578 HydrophobicContact CD2-CD1 3.54Å; L571-I578 HydrophobicContact CD2-CG1 4.49Å; I578-I582 HydrophobicContact CG2-CB 4.13Å; I578-I582 HydrophobicContact CG2-CG2 4.01Å; I578-L583 HydrophobicContact CG2-CB 4.26Å |
| 579 | D | 94.3 | Very high | 91.3 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 16% | 0.16 | 26% | 0.26 | C | S | . | . | trans | -55.6 | 131.5 | 174.9 | -174.8 | -67.1 | 0 | 0 | 0 | 111.1 | N536 M570 C581 I582 L583 | N536-D579 WeakPolarHBondContact ND2-CB 3.4Å; N536-D579 VanDerWaalsContact ND2-CG 3.31Å; N536-D579 PolarHBondContact ND2-OD2 3.47Å; M570-D579 VanDerWaalsContact O-CB 3.25Å; M570-D579 WeakPolarHBondContact O-CB 3.44Å; M570-D579 PolarHBondContact O-N 2.54Å; D579-C581 PolarHBondContact O-N 3.12Å; D579-C581 VanDerWaalsContact O-N 3.15Å; D579-C581 WeakPolarHBondContact OD1-CB 3.24Å; D579-C581 PolarHBondContact OD1-N 3.33Å; D579-I582 HydrophobicContact CB-CB 4.38Å; D579-I582 HydrophobicContact CB-CG1 4Å; D579-I582 PolarHBondContact O-N 3.34Å; D579-I582 VanDerWaalsContact O-N 3.09Å; D579-L583 PolarHBondContact O-N 3.43Å | ||
| 580 | P | 94.1 | Very high | 91.5 | Very high | 91 Ų | 91 | 51 Ų | 51 | 59% | 0.591 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -56.2 | -31.8 | -177.7 | -27.1 | 34.7 | 0 | 0 | 0 | 114.8 | S584 | P580-S584 VanDerWaalsContact O-CB 3.27Å; P580-S584 WeakPolarHBondContact O-CB 3.46Å; P580-S584 PolarHBondContact O-N 3.06Å |
| 581 | C | 94.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 178.2 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | Q537 D579 T585 | Q537-C581 HydrophobicContact CG-CB 4.49Å; D579-C581 PolarHBondContact O-N 3.12Å; D579-C581 VanDerWaalsContact O-N 3.15Å; D579-C581 WeakPolarHBondContact OD1-CB 3.24Å; D579-C581 PolarHBondContact OD1-N 3.33Å; C581-T585 WeakPolarHBondContact O-CB 3.46Å; C581-T585 PolarHBondContact O-N 3.46Å; C581-T585 VanDerWaalsContact O-N 3.08Å; C581-T585 PolarHBondContact O-OG1 2.84Å |
| 582 | I | 95.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -49.1 | 175.8 | -59.9 | -66.3 | 0 | 0 | 0 | 109.5 | N536 V540 I566 M570 I578 D579 S584 T585 L586 | N536-I582 HydrophobicContact CB-CD1 4.23Å; N536-I582 HydrophobicContact CB-CG1 4.18Å; V540-I582 HydrophobicContact CG2-CD1 3.91Å; I566-I582 HydrophobicContact CD1-CG2 3.98Å; M570-I582 HydrophobicContact CB-CG1 4.24Å; M570-I582 HydrophobicContact SD-CD1 4.34Å; I578-I582 HydrophobicContact CG2-CB 4.13Å; I578-I582 HydrophobicContact CG2-CG2 4.01Å; D579-I582 HydrophobicContact CB-CB 4.38Å; D579-I582 HydrophobicContact CB-CG1 4Å; D579-I582 PolarHBondContact O-N 3.34Å; D579-I582 VanDerWaalsContact O-N 3.09Å; I582-S584 VanDerWaalsContact C-N 3.35Å; I582-S584 PolarHBondContact O-N 3.43Å; I582-T585 WeakPolarHBondContact O-CA 3.45Å; I582-T585 WeakPolarHBondContact O-CB 3.33Å; I582-T585 PolarHBondContact O-N 3.05Å; I582-L586 HydrophobicContact CG2-CD1 4.3Å; I582-L586 HydrophobicContact CG2-CG 4.43Å; I582-L586 WeakPolarHBondContact O-CG 3.36Å; I582-L586 PolarHBondContact O-N 3.36Å |
| 583 | L | 95 | Very high | 91.5 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | -179.9 | -176.3 | 61.9 | 0 | 0 | 0 | 112.8 | A458 V460 I578 D579 T585 L586 R587 | A458-L583 HydrophobicContact CB-CD1 3.59Å; A458-L583 HydrophobicContact CB-CD2 3.98Å; A458-L583 HydrophobicContact CB-CG 4.46Å; V460-L583 HydrophobicContact CG2-CD1 4.13Å; I578-L583 HydrophobicContact CG2-CB 4.26Å; D579-L583 PolarHBondContact O-N 3.43Å; L583-T585 VanDerWaalsContact C-N 3.27Å; L583-T585 PolarHBondContact O-N 2.77Å; L583-L586 PolarHBondContact O-N 3.05Å; L583-R587 WeakPolarHBondContact O-CG 3.31Å; L583-R587 PolarHBondContact O-N 3.38Å; L583-R587 VanDerWaalsContact O-N 3.15Å |
| 584 | S | 94.5 | Very high | 92.1 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 173.8 | -179 | 0 | 0 | 0 | 0 | 112.1 | P580 I582 K588 | P580-S584 VanDerWaalsContact O-CB 3.27Å; P580-S584 WeakPolarHBondContact O-CB 3.46Å; P580-S584 PolarHBondContact O-N 3.06Å; I582-S584 VanDerWaalsContact C-N 3.35Å; I582-S584 PolarHBondContact O-N 3.43Å; S584-K588 WeakPolarHBondContact O-CG 3.26Å; S584-K588 PolarHBondContact O-N 3.44Å |
| 585 | T | 95.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.3 | -45.2 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | V540 L543 C581 I582 L583 R587 K588 L589 F594 | V540-T585 HydrophobicContact CG1-CG2 4.21Å; V540-T585 VanDerWaalsContact CG1-OG1 3.26Å; V540-T585 WeakPolarHBondContact CG1-OG1 3.36Å; V540-T585 HydrophobicContact CG2-CG2 4.31Å; V540-T585 WeakPolarHBondContact CG2-OG1 3.25Å; L543-T585 HydrophobicContact CD2-CG2 4.14Å; C581-T585 WeakPolarHBondContact O-CB 3.46Å; C581-T585 PolarHBondContact O-N 3.46Å; C581-T585 VanDerWaalsContact O-N 3.08Å; C581-T585 PolarHBondContact O-OG1 2.84Å; I582-T585 WeakPolarHBondContact O-CA 3.45Å; I582-T585 WeakPolarHBondContact O-CB 3.33Å; I582-T585 PolarHBondContact O-N 3.05Å; L583-T585 VanDerWaalsContact C-N 3.27Å; L583-T585 PolarHBondContact O-N 2.77Å; T585-R587 VanDerWaalsContact C-N 3.34Å; T585-R587 PolarHBondContact O-N 3.13Å; T585-K588 WeakPolarHBondContact O-CB 3.43Å; T585-K588 PolarHBondContact O-N 3.4Å; T585-K588 VanDerWaalsContact O-N 3.11Å; T585-L589 HydrophobicContact CG2-CD1 4.46Å; T585-L589 WeakPolarHBondContact O-CG 3.15Å; T585-L589 PolarHBondContact O-N 3.18Å; T585-F594 HydrophobicContact CG2-CE1 4.42Å; T585-F594 HydrophobicContact CG2-CE2 3.88Å; T585-F594 HydrophobicContact CG2-CZ 3.66Å |
| 586 | L | 95.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58 | -45 | 177 | -65.4 | 179.1 | 0 | 0 | 0 | 111.8 | V444 L455 V460 I566 I582 L583 K588 L589 E590 | V444-L586 HydrophobicContact CG1-CD2 3.94Å; V444-L586 HydrophobicContact CG2-CD2 3.87Å; L455-L586 HydrophobicContact CD2-CD1 3.53Å; V460-L586 HydrophobicContact CG1-CD1 4.44Å; V460-L586 HydrophobicContact CG2-CB 4.4Å; I566-L586 HydrophobicContact CD1-CD1 4.42Å; I566-L586 HydrophobicContact CD1-CD2 4.45Å; I582-L586 HydrophobicContact CG2-CD1 4.3Å; I582-L586 HydrophobicContact CG2-CG 4.43Å; I582-L586 WeakPolarHBondContact O-CG 3.36Å; I582-L586 PolarHBondContact O-N 3.36Å; L583-L586 PolarHBondContact O-N 3.05Å; L586-K588 VanDerWaalsContact C-N 3.31Å; L586-K588 PolarHBondContact O-N 3.48Å; L586-L589 HydrophobicContact CD2-CD1 4.29Å; L586-L589 WeakPolarHBondContact O-CB 3.25Å; L586-L589 PolarHBondContact O-N 2.97Å; L586-L589 VanDerWaalsContact O-N 3.08Å; L586-E590 PolarHBondContact O-N 3.48Å; L586-E590 VanDerWaalsContact O-N 3.09Å |
| 587 | R | 93.5 | Very high | 91.8 | Very high | 123 Ų | 123 | 48.6 Ų | 48.6 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 175.3 | -70.2 | 175.3 | 180 | 159.2 | 1.1 | 112.8 | A458 L583 T585 L589 E590 D591 | A458-R587 PolarHBondContact O-NH2 3.24Å; L583-R587 WeakPolarHBondContact O-CG 3.31Å; L583-R587 PolarHBondContact O-N 3.38Å; L583-R587 VanDerWaalsContact O-N 3.15Å; T585-R587 VanDerWaalsContact C-N 3.34Å; T585-R587 PolarHBondContact O-N 3.13Å; R587-L589 VanDerWaalsContact C-N 3.32Å; R587-L589 PolarHBondContact O-N 3.33Å; R587-E590 WeakPolarHBondContact O-CB 3.5Å; R587-E590 PolarHBondContact O-N 3.37Å; R587-D591 PolarHBondContact O-N 3.39Å |
| 588 | K | 92.8 | Very high | 91.9 | Very high | 98 Ų | 98 | 52.2 Ų | 52.2 | 43% | 0.426 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.4 | -30.5 | 175.4 | -71 | 174.6 | -180 | 178.2 | 0 | 113 | S584 T585 L586 E590 D591 F594 | S584-K588 WeakPolarHBondContact O-CG 3.26Å; S584-K588 PolarHBondContact O-N 3.44Å; T585-K588 WeakPolarHBondContact O-CB 3.43Å; T585-K588 PolarHBondContact O-N 3.4Å; T585-K588 VanDerWaalsContact O-N 3.11Å; L586-K588 VanDerWaalsContact C-N 3.31Å; L586-K588 PolarHBondContact O-N 3.48Å; K588-E590 VanDerWaalsContact C-N 3.32Å; K588-D591 PolarHBondContact O-N 3.48Å; K588-F594 HydrophobicContact CB-CD2 3.86Å; K588-F594 HydrophobicContact CB-CE2 4.19Å; K588-F594 HydrophobicContact CD-CD2 4.35Å; K588-F594 HydrophobicContact CD-CE2 4.1Å |
| 589 | L | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.4 | -34.6 | 173.4 | -66.2 | 171.6 | 0 | 0 | 0 | 111 | V442 L543 L547 T585 L586 R587 D591 G592 F594 V599 | V442-L589 HydrophobicContact CG1-CD1 4.18Å; V442-L589 HydrophobicContact CG2-CD2 4.47Å; L543-L589 HydrophobicContact CD2-CD1 4.37Å; L547-L589 HydrophobicContact CD1-CD2 3.88Å; T585-L589 HydrophobicContact CG2-CD1 4.46Å; T585-L589 WeakPolarHBondContact O-CG 3.15Å; T585-L589 PolarHBondContact O-N 3.18Å; L586-L589 HydrophobicContact CD2-CD1 4.29Å; L586-L589 WeakPolarHBondContact O-CB 3.25Å; L586-L589 PolarHBondContact O-N 2.97Å; L586-L589 VanDerWaalsContact O-N 3.08Å; R587-L589 VanDerWaalsContact C-N 3.32Å; R587-L589 PolarHBondContact O-N 3.33Å; L589-D591 VanDerWaalsContact C-N 3.31Å; L589-G592 PolarHBondContact O-N 2.65Å; L589-F594 HydrophobicContact CD2-CB 3.86Å; L589-F594 HydrophobicContact CD2-CD1 4.24Å; L589-F594 HydrophobicContact CD2-CD2 4.44Å; L589-F594 HydrophobicContact CD2-CG 3.95Å; L589-V599 HydrophobicContact CD2-CB 4.42Å; L589-V599 HydrophobicContact CD2-CG1 4.41Å; L589-V599 HydrophobicContact CD2-CG2 4.04Å |
| 590 | E | 92.8 | Very high | 92.1 | Very high | 96 Ų | 96 | 54 Ų | 54 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66 | -30.7 | 172.7 | -66.1 | 176.4 | 151.8 | 0 | 0 | 112.6 | L586 R587 K588 G592 M601 | L586-E590 PolarHBondContact O-N 3.48Å; L586-E590 VanDerWaalsContact O-N 3.09Å; R587-E590 WeakPolarHBondContact O-CB 3.5Å; R587-E590 PolarHBondContact O-N 3.37Å; K588-E590 VanDerWaalsContact C-N 3.32Å; E590-G592 PolarHBondContact O-N 2.77Å; E590-M601 HydrophobicContact CG-SD 3.85Å |
| 591 | D | 90.9 | Very high | 92.1 | Very high | 135 Ų | 135 | 51.6 Ų | 51.6 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.2 | 176.3 | -68.4 | -27.4 | 0 | 0 | 0 | 113.8 | R587 K588 L589 | R587-D591 PolarHBondContact O-N 3.39Å; K588-D591 PolarHBondContact O-N 3.48Å; L589-D591 VanDerWaalsContact C-N 3.31Å |
| 592 | G | 90.6 | Very high | 92 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 1.4 | 173 | 0 | 0 | 0 | 0 | 0 | 116.1 | L589 E590 V599 | L589-G592 PolarHBondContact O-N 2.65Å; E590-G592 PolarHBondContact O-N 2.77Å; G592-V599 CarbonylContact C-O 3.51Å; G592-V599 VanDerWaalsContact CA-O 3.3Å; G592-V599 WeakPolarHBondContact CA-O 3.28Å; G592-V599 PolarHBondContact O-N 3.43Å |
| 593 | Y | 90.9 | Very high | 91.9 | Very high | 135 Ų | 135 | 54.5 Ų | 54.5 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 126.7 | 173.6 | -160.6 | -100.1 | 0 | 0 | 0 | 111.6 | G596 A597 R598 | Y593-G596 VanDerWaalsContact CE1-CA 3.48Å; Y593-G596 VanDerWaalsContact CE1-N 3.35Å; Y593-G596 VanDerWaalsContact CZ-CA 3.41Å; Y593-G596 VanDerWaalsContact OH-C 3.3Å; Y593-G596 VanDerWaalsContact OH-CA 3.23Å; Y593-G596 WeakPolarHBondContact OH-CA 3.31Å; Y593-G596 PolarHBondContact OH-O 3.07Å; Y593-A597 WeakPolarHBondContact CA-O 3.37Å; Y593-A597 VanDerWaalsContact CD2-O 3.31Å; Y593-A597 WeakPolarHBondContact CD2-O 3.47Å; Y593-R598 HydrophobicContact CD2-CG 3.9Å; Y593-R598 HydrophobicContact CE2-CG 4.04Å |
| 594 | F | 89.9 | Confident | 91.8 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 114.9 | 178.5 | -168.5 | -108.2 | 0 | 0 | 0 | 110.4 | V540 R544 L547 T585 K588 L589 G596 A597 V599 | V540-F594 HydrophobicContact CG1-CZ 4.29Å; R544-F594 HydrophobicContact CB-CE1 3.73Å; R544-F594 HydrophobicContact CB-CZ 4.37Å; L547-F594 HydrophobicContact CD1-CD1 3.66Å; L547-F594 HydrophobicContact CD1-CE1 4.29Å; L547-F594 HydrophobicContact CD1-CG 4.49Å; T585-F594 HydrophobicContact CG2-CE1 4.42Å; T585-F594 HydrophobicContact CG2-CE2 3.88Å; T585-F594 HydrophobicContact CG2-CZ 3.66Å; K588-F594 HydrophobicContact CB-CD2 3.86Å; K588-F594 HydrophobicContact CB-CE2 4.19Å; K588-F594 HydrophobicContact CD-CD2 4.35Å; K588-F594 HydrophobicContact CD-CE2 4.1Å; L589-F594 HydrophobicContact CD2-CB 3.86Å; L589-F594 HydrophobicContact CD2-CD1 4.24Å; L589-F594 HydrophobicContact CD2-CD2 4.44Å; L589-F594 HydrophobicContact CD2-CG 3.95Å; F594-G596 VanDerWaalsContact C-N 3.33Å; F594-G596 PolarHBondContact O-N 2.93Å; F594-A597 PolarHBondContact N-O 3.33Å; F594-A597 WeakPolarHBondContact O-CB 3.26Å; F594-A597 PolarHBondContact O-N 3.48Å; F594-V599 HydrophobicContact CB-CG1 4.18Å; F594-V599 HydrophobicContact CB-CG2 4.06Å |
| 595 | A | 74.1 | Confident | 91.6 | Very high | 48 Ų | 48 | 53.9 Ų | 53.9 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 42 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R544 | R544-A595 HydrophobicContact CB-CB 4.27Å; R544-A595 HydrophobicContact CG-CB 3.34Å |
| 596 | G | 82.3 | Confident | 91.3 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -14.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y593 F594 | Y593-G596 VanDerWaalsContact CE1-CA 3.48Å; Y593-G596 VanDerWaalsContact CE1-N 3.35Å; Y593-G596 VanDerWaalsContact CZ-CA 3.41Å; Y593-G596 VanDerWaalsContact OH-C 3.3Å; Y593-G596 VanDerWaalsContact OH-CA 3.23Å; Y593-G596 WeakPolarHBondContact OH-CA 3.31Å; Y593-G596 PolarHBondContact OH-O 3.07Å; F594-G596 VanDerWaalsContact C-N 3.33Å; F594-G596 PolarHBondContact O-N 2.93Å |
| 597 | A | 90.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L547 Y593 F594 V599 | L547-A597 HydrophobicContact CB-CB 4.32Å; Y593-A597 WeakPolarHBondContact CA-O 3.37Å; Y593-A597 VanDerWaalsContact CD2-O 3.31Å; Y593-A597 WeakPolarHBondContact CD2-O 3.47Å; F594-A597 PolarHBondContact N-O 3.33Å; F594-A597 WeakPolarHBondContact O-CB 3.26Å; F594-A597 PolarHBondContact O-N 3.48Å; A597-V599 HydrophobicContact CB-CG1 4.31Å |
| 598 | R | 94.6 | Very high | 91.1 | Very high | 120 Ų | 120 | 53.8 Ų | 53.8 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 125.8 | 164.5 | -74 | -170.7 | -177.4 | 145 | 16.9 | 108.6 | D437 V439 V440 Y593 | D437-R598 IonicContact OD2-CZ 3.93Å; D437-R598 IonicContact OD2-NH1 2.83Å; D437-R598 PolarHBondContact OD2-NH1 3.43Å; D437-R598 IonicContact OD2-NH2 3.08Å; D437-R598 PolarHBondContact OD2-NH2 2.81Å; V439-R598 HydrophobicContact CG2-CB 4.22Å; V440-R598 PolarHBondContact N-O 2.73Å; Y593-R598 HydrophobicContact CD2-CG 3.9Å; Y593-R598 HydrophobicContact CE2-CG 4.04Å |
| 599 | V | 95.9 | Very high | 91 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153.3 | -176.8 | -62.7 | 0 | 0 | 0 | 0 | 110.4 | V440 V442 L547 L589 G592 F594 A597 | V440-V599 HydrophobicContact CB-CG1 4.47Å; V440-V599 CarbonylContact O-C 3.49Å; V440-V599 VanDerWaalsContact O-CA 3.26Å; V440-V599 WeakPolarHBondContact O-CA 3.5Å; V442-V599 HydrophobicContact CG2-CB 4.47Å; L547-V599 HydrophobicContact CD1-CG1 4.19Å; L547-V599 HydrophobicContact CD2-CG1 4.43Å; L589-V599 HydrophobicContact CD2-CB 4.42Å; L589-V599 HydrophobicContact CD2-CG1 4.41Å; L589-V599 HydrophobicContact CD2-CG2 4.04Å; G592-V599 CarbonylContact C-O 3.51Å; G592-V599 VanDerWaalsContact CA-O 3.3Å; G592-V599 WeakPolarHBondContact CA-O 3.28Å; G592-V599 PolarHBondContact O-N 3.43Å; F594-V599 HydrophobicContact CB-CG1 4.18Å; F594-V599 HydrophobicContact CB-CG2 4.06Å; A597-V599 HydrophobicContact CB-CG1 4.31Å |
| 600 | Q | 95.4 | Very high | 91 | Very high | 76 Ų | 76 | 58.2 Ų | 58.2 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 108.7 | 172.7 | -175.1 | -175.5 | -17.3 | 0 | 0 | 108.5 | V439 V440 Q441 V442 S602 | V439-Q600 HydrophobicContact CG1-CB 3.9Å; V440-Q600 PolarHBondContact O-N 2.85Å; Q441-Q600 CarbonylContact C-O 3.6Å; Q441-Q600 WeakPolarHBondContact CA-O 3.2Å; V442-Q600 PolarHBondContact N-O 2.8Å; Q600-S602 PolarHBondContact NE2-OG 3.23Å |
| 601 | M | 95.4 | Very high | 91 | Very high | 39 Ų | 39 | 54 Ų | 54 | 19% | 0.192 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 129.6 | 170.7 | -172.1 | 166.5 | 163.2 | 0 | 0 | 109.4 | V442 V444 V460 V462 E590 | V442-M601 WeakPolarHBondContact O-CA 3.46Å; V444-M601 HydrophobicContact CB-CE 3.76Å; V444-M601 HydrophobicContact CG1-CE 4.48Å; V444-M601 HydrophobicContact CG2-CE 3.66Å; V444-M601 HydrophobicContact CG2-CG 4.27Å; V444-M601 HydrophobicContact CG2-SD 3.93Å; V460-M601 HydrophobicContact CG1-CE 3.62Å; V462-M601 HydrophobicContact CG1-CE 4.03Å; E590-M601 HydrophobicContact CG-SD 3.85Å |
| 602 | S | 92.2 | Very high | 91.1 | Very high | 24 Ų | 24 | 48.9 Ų | 48.9 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | trans | -157.7 | 159.8 | -175 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | V442 C443 Q600 V607 | V442-S602 PolarHBondContact O-N 3.41Å; V442-S602 VanDerWaalsContact O-N 3.16Å; C443-S602 WeakPolarHBondContact CA-O 3.29Å; Q600-S602 PolarHBondContact NE2-OG 3.23Å; S602-V607 VanDerWaalsContact CB-CG1 3.47Å | ||
| 603 | D | 93.8 | Very high | 91.2 | Very high | 74 Ų | 74 | 52 Ų | 52 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | trans | -69.7 | 140.1 | 172.8 | -72.4 | -20.4 | 0 | 0 | 0 | 110.9 | S605 S606 V607 | D603-S605 VanDerWaalsContact C-N 3.26Å; D603-S605 PolarHBondContact O-N 3.26Å; D603-S606 WeakPolarHBondContact O-CB 3.27Å; D603-S606 PolarHBondContact O-N 3.43Å; D603-S606 PolarHBondContact O-OG 3.24Å; D603-V607 PolarHBondContact O-N 2.91Å | ||
| 604 | L | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -35.8 | -173.8 | -173.3 | 64.5 | 0 | 0 | 0 | 112.4 | C443 Q463 V468 I471 V473 F510 I519 T561 S606 V607 | C443-L604 HydrophobicContact CB-CB 4.3Å; C443-L604 HydrophobicContact CB-CD1 3.95Å; Q463-L604 VanDerWaalsContact OE1-N 3.11Å; V468-L604 HydrophobicContact CB-CD2 4.04Å; V468-L604 HydrophobicContact CG1-CB 4.1Å; V468-L604 HydrophobicContact CG1-CD2 4.16Å; V468-L604 HydrophobicContact CG2-CD2 4.21Å; I471-L604 HydrophobicContact CB-CD2 4.32Å; I471-L604 HydrophobicContact CD1-CD2 3.97Å; I471-L604 HydrophobicContact CD1-CG 3.83Å; I471-L604 HydrophobicContact CG2-CD2 3.94Å; V473-L604 HydrophobicContact CG2-CD2 4.22Å; F510-L604 HydrophobicContact CE1-CD1 4.27Å; F510-L604 HydrophobicContact CE2-CD1 4.44Å; F510-L604 HydrophobicContact CZ-CD1 3.64Å; F510-L604 HydrophobicContact CZ-CG 4.19Å; I519-L604 HydrophobicContact CD1-CD1 3.72Å; I519-L604 HydrophobicContact CG2-CD1 4.47Å; I519-L604 HydrophobicContact CG2-CD2 3.99Å; T561-L604 HydrophobicContact CG2-CD1 4.33Å; L604-S606 VanDerWaalsContact C-N 3.31Å; L604-S606 PolarHBondContact O-N 2.96Å; L604-V607 WeakPolarHBondContact O-CG2 3.34Å |
| 605 | S | 88.7 | Confident | 91.2 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 47% | 0.469 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.4 | -29.9 | 176.6 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | D603 | D603-S605 VanDerWaalsContact C-N 3.26Å; D603-S605 PolarHBondContact O-N 3.26Å |
| 606 | S | 90.8 | Very high | 92 | Very high | 69 Ų | 69 | 48.3 Ų | 48.3 | 48% | 0.483 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -77.8 | -30.1 | -175.6 | 73.7 | 0 | 0 | 0 | 0 | 113.1 | D603 L604 | D603-S606 WeakPolarHBondContact O-CB 3.27Å; D603-S606 PolarHBondContact O-N 3.43Å; D603-S606 PolarHBondContact O-OG 3.24Å; L604-S606 VanDerWaalsContact C-N 3.31Å; L604-S606 PolarHBondContact O-N 2.96Å |
| 607 | V | 93.8 | Very high | 92 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -86.9 | -16.8 | -173.1 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | Q441 F510 T561 S602 D603 L604 T609 T610 S611 | Q441-V607 HydrophobicContact CB-CG1 4.35Å; Q441-V607 HydrophobicContact CG-CG1 4.37Å; F510-V607 HydrophobicContact CE2-CG2 4.37Å; F510-V607 HydrophobicContact CZ-CG2 4.48Å; T561-V607 HydrophobicContact CG2-CG2 3.88Å; S602-V607 VanDerWaalsContact CB-CG1 3.47Å; D603-V607 PolarHBondContact O-N 2.91Å; L604-V607 WeakPolarHBondContact O-CG2 3.34Å; V607-T609 PolarHBondContact O-N 2.74Å; V607-T609 VanDerWaalsContact O-N 3.14Å; V607-T610 WeakPolarHBondContact O-CA 3.42Å; V607-T610 PolarHBondContact O-N 3.03Å; V607-T610 PolarHBondContact O-OG1 3.22Å; V607-S611 PolarHBondContact O-N 3.44Å; V607-S611 VanDerWaalsContact O-N 3.09Å; V607-S611 PolarHBondContact O-OG 2.89Å |
| 608 | Q | 90.2 | Very high | 91.7 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 28% | 0.276 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -36.2 | -62.4 | -179.3 | -80.9 | -168.3 | 1.5 | 0 | 0 | 112.5 | I471 F510 T610 S611 Y613 | I471-Q608 HydrophobicContact CD1-CG 4.36Å; I471-Q608 VanDerWaalsContact CG1-NE2 3.28Å; F510-Q608 HydrophobicContact CE1-CG 4.06Å; F510-Q608 HydrophobicContact CZ-CG 3.96Å; Q608-T610 PolarHBondContact O-N 2.66Å; Q608-S611 PolarHBondContact O-N 2.94Å; Q608-S611 VanDerWaalsContact O-N 3.12Å; Q608-Y613 WeakPolarHBondContact CA-OH 3.38Å; Q608-Y613 WeakPolarHBondContact CB-OH 3.2Å; Q608-Y613 WeakPolarHBondContact O-CE2 3.28Å; Q608-Y613 PolarHBondContact O-OH 3.19Å |
| 609 | T | 90.9 | Very high | 90.8 | Very high | 133 Ų | 133 | 43.2 Ų | 43.2 | 82% | 0.816 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -61.4 | -16.8 | -176.1 | 60.5 | 0 | 0 | 0 | 0 | 116.3 | V607 | V607-T609 PolarHBondContact O-N 2.74Å; V607-T609 VanDerWaalsContact O-N 3.14Å |
| 610 | T | 93.7 | Very high | 89.8 | Confident | 58 Ų | 58 | 45.4 Ų | 45.4 | 36% | 0.356 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -105.9 | -12.9 | -178.4 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | Q441 R559 V607 Q608 | Q441-T610 PolarHBondContact NE2-OG1 3.29Å; R559-T610 PolarHBondContact N-O 3.09Å; V607-T610 WeakPolarHBondContact O-CA 3.42Å; V607-T610 PolarHBondContact O-N 3.03Å; V607-T610 PolarHBondContact O-OG1 3.22Å; Q608-T610 PolarHBondContact O-N 2.66Å |
| 611 | S | 94.4 | Very high | 88.1 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 160.5 | -178.2 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | Q441 F510 R559 T561 V607 Q608 Y613 | Q441-S611 PolarHBondContact OE1-OG 2.94Å; F510-S611 VanDerWaalsContact CD2-CB 3.44Å; F510-S611 WeakPolarHBondContact CE2-OG 3.37Å; R559-S611 WeakPolarHBondContact O-CA 3.42Å; T561-S611 VanDerWaalsContact OG1-CB 3.29Å; T561-S611 WeakPolarHBondContact OG1-CB 3.44Å; T561-S611 PolarHBondContact OG1-OG 2.87Å; V607-S611 PolarHBondContact O-N 3.44Å; V607-S611 VanDerWaalsContact O-N 3.09Å; V607-S611 PolarHBondContact O-OG 2.89Å; Q608-S611 PolarHBondContact O-N 2.94Å; Q608-S611 VanDerWaalsContact O-N 3.12Å; S611-Y613 WeakPolarHBondContact O-CD2 3.47Å |
| 612 | F | 93.1 | Very high | 86.2 | Confident | 28 Ų | 28 | 55 Ų | 55 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | trans | -74.7 | 143.5 | 169.1 | -174.6 | -82 | 0 | 0 | 0 | 111.4 | K509 F510 W554 M556 T557 R559 | K509-F612 HydrophobicContact CB-CB 4.25Å; K509-F612 HydrophobicContact CB-CD1 3.85Å; K509-F612 HydrophobicContact CB-CG 4.5Å; K509-F612 HydrophobicContact CD-CD1 3.58Å; K509-F612 HydrophobicContact CD-CE1 3.83Å; K509-F612 HydrophobicContact CG-CD1 4.33Å; F510-F612 PolarHBondContact N-O 3.03Å; W554-F612 HydrophobicContact CH2-CB 4.3Å; W554-F612 HydrophobicContact CZ2-CB 3.61Å; W554-F612 HydrophobicContact CZ2-CG 4.18Å; M556-F612 HydrophobicContact CB-CD2 3.42Å; M556-F612 VanDerWaalsContact CB-CD2 3.42Å; M556-F612 HydrophobicContact CB-CE2 3.59Å; M556-F612 HydrophobicContact CB-CG 4.19Å; M556-F612 HydrophobicContact CB-CZ 4.41Å; M556-F612 HydrophobicContact CE-CD1 3.87Å; M556-F612 HydrophobicContact CE-CD2 4.14Å; M556-F612 HydrophobicContact CE-CE1 3.28Å; M556-F612 HydrophobicContact CE-CE2 3.65Å; M556-F612 HydrophobicContact CE-CG 4.29Å; M556-F612 HydrophobicContact CE-CZ 3.19Å; M556-F612 HydrophobicContact CG-CD2 4.47Å; M556-F612 HydrophobicContact CG-CE2 4.4Å; M556-F612 HydrophobicContact SD-CD1 4.44Å; M556-F612 HydrophobicContact SD-CD2 4.47Å; M556-F612 HydrophobicContact SD-CE1 4.4Å; M556-F612 HydrophobicContact SD-CE2 4.48Å; M556-F612 HydrophobicContact SD-CZ 4.46Å; T557-F612 WeakPolarHBondContact O-CD2 3.34Å; R559-F612 PolarHBondContact O-N 3.21Å | ||
| 613 | Y | 91.9 | Very high | 84.4 | Confident | 93 Ų | 93 | 55.2 Ų | 55.2 | 37% | 0.365 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.2 | 175.7 | -72.6 | -93.1 | 0 | 0 | 0 | 111.6 | F510 Q608 S611 | F510-Y613 HydrophobicContact CB-CD1 3.38Å; F510-Y613 HydrophobicContact CB-CE1 3.37Å; F510-Y613 HydrophobicContact CB-CG 4.08Å; F510-Y613 HydrophobicContact CD1-CE1 4.15Å; F510-Y613 HydrophobicContact CD2-CE1 4.41Å; F510-Y613 HydrophobicContact CG-CD1 4.26Å; F510-Y613 AromaticContact CG-CE1 3.74Å; F510-Y613 HydrophobicContact CG-CE1 3.74Å; F510-Y613 WeakPolarHBondContact O-CA 3.35Å; Q608-Y613 WeakPolarHBondContact CA-OH 3.38Å; Q608-Y613 WeakPolarHBondContact CB-OH 3.2Å; Q608-Y613 WeakPolarHBondContact O-CE2 3.28Å; Q608-Y613 PolarHBondContact O-OH 3.19Å; S611-Y613 WeakPolarHBondContact O-CD2 3.47Å |
| 614 | T | 90.9 | Very high | 82.5 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.4 | 164.3 | -162.6 | 0 | 0 | 0 | 0 | 109.5 | E214 K509 F510 Y511 E512 L616 | E214-T614 PolarHBondContact OE1-OG1 2.83Å; K509-T614 HydrophobicContact CD-CG2 4.17Å; F510-T614 PolarHBondContact O-N 3.3Å; Y511-T614 CarbonylContact C-O 3.49Å; Y511-T614 WeakPolarHBondContact CA-O 3.33Å; Y511-T614 HydrophobicContact CD1-CG2 3.18Å; Y511-T614 HydrophobicContact CE1-CG2 3.2Å; Y511-T614 HydrophobicContact CG-CG2 3.94Å; E512-T614 PolarHBondContact N-O 3.24Å; T614-L616 HydrophobicContact CG2-CD2 4.16Å |
| 615 | R | 90.3 | Very high | 80.6 | Confident | 109 Ų | 109 | 60.9 Ų | 60.9 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.2 | -179.2 | -170.8 | -179.5 | 178.4 | 166.4 | 4.7 | 109.4 | H229 E512 N515 T617 | H229-R615 PolarHBondContact CE1-O 3.38Å; E512-R615 HydrophobicContact CB-CB 4.4Å; E512-R615 HydrophobicContact CB-CG 4.12Å; E512-R615 HydrophobicContact CG-CG 4.32Å; E512-R615 WeakPolarHBondContact O-CA 3.46Å; E512-R615 WeakPolarHBondContact OE2-CD 3.43Å; E512-R615 IonicContact OE2-NE 2.62Å; N515-R615 PolarHBondContact OD1-NH2 3.33Å; R615-T617 HydrophobicContact CG-CG2 3.79Å; R615-T617 PolarHBondContact O-N 3.36Å |
| 616 | L | 89.8 | Confident | 78.9 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | -102.1 | 77.9 | -177.6 | -52 | -175.2 | 0 | 0 | 0 | 110.4 | I482 Y483 Y511 E512 I513 T614 F618 | I482-L616 HydrophobicContact CG2-CD1 3.67Å; Y483-L616 HydrophobicContact CE2-CD1 4.35Å; Y511-L616 HydrophobicContact CD1-CD1 3.73Å; Y511-L616 HydrophobicContact CD1-CD2 4.19Å; Y511-L616 HydrophobicContact CD1-CG 3.95Å; Y511-L616 HydrophobicContact CE1-CD1 4.2Å; Y511-L616 HydrophobicContact CE1-CD2 4.33Å; E512-L616 PolarHBondContact O-N 3.27Å; I513-L616 HydrophobicContact CD1-CD1 4.01Å; I513-L616 HydrophobicContact CG1-CB 4.25Å; I513-L616 HydrophobicContact CG1-CD1 4.15Å; I513-L616 HydrophobicContact CG1-CG 4.36Å; T614-L616 HydrophobicContact CG2-CD2 4.16Å; L616-F618 VanDerWaalsContact C-N 3.28Å; L616-F618 HydrophobicContact CB-CD1 4.26Å; L616-F618 HydrophobicContact CB-CE1 3.73Å; L616-F618 HydrophobicContact CB-CZ 4.19Å; L616-F618 HydrophobicContact CD1-CE1 4.42Å; L616-F618 HydrophobicContact CD1-CZ 4.33Å; L616-F618 HydrophobicContact CD2-CE1 3.91Å; L616-F618 HydrophobicContact CG-CE1 4.21Å; L616-F618 PolarHBondContact O-N 3.4Å | ||
| 617 | T | 82.9 | Confident | 77.4 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -77.1 | -9.1 | -176.4 | 45.8 | 0 | 0 | 0 | 0 | 114.7 | P224 R615 L619 D620 | P224-T617 HydrophobicContact CB-CG2 3.51Å; P224-T617 WeakPolarHBondContact CB-OG1 3.4Å; P224-T617 HydrophobicContact CG-CG2 4.31Å; P224-T617 PolarHBondContact O-OG1 3.27Å; P224-T617 VanDerWaalsContact O-OG1 3.06Å; R615-T617 HydrophobicContact CG-CG2 3.79Å; R615-T617 PolarHBondContact O-N 3.36Å; T617-L619 PolarHBondContact O-N 3.36Å; T617-L619 VanDerWaalsContact O-N 3.16Å; T617-D620 PolarHBondContact O-N 3.43Å |
| 618 | F | 83.3 | Confident | 75.6 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -69.6 | -5.2 | 174.3 | 64.7 | -93.2 | 0 | 0 | 0 | 113.5 | I482 R485 L486 L616 | I482-F618 HydrophobicContact CG2-CZ 4.28Å; R485-F618 HydrophobicContact CB-CD2 4.38Å; R485-F618 HydrophobicContact CB-CE2 4.13Å; L486-F618 HydrophobicContact CB-CE1 4.28Å; L486-F618 HydrophobicContact CB-CE2 4.16Å; L486-F618 HydrophobicContact CB-CZ 4.03Å; L486-F618 HydrophobicContact CD1-CD1 3.59Å; L486-F618 HydrophobicContact CD1-CE1 3.76Å; L486-F618 HydrophobicContact CD1-CG 4.04Å; L486-F618 HydrophobicContact CD1-CZ 4.36Å; L486-F618 HydrophobicContact CG-CE1 4.48Å; L616-F618 VanDerWaalsContact C-N 3.28Å; L616-F618 HydrophobicContact CB-CD1 4.26Å; L616-F618 HydrophobicContact CB-CE1 3.73Å; L616-F618 HydrophobicContact CB-CZ 4.19Å; L616-F618 HydrophobicContact CD1-CE1 4.42Å; L616-F618 HydrophobicContact CD1-CZ 4.33Å; L616-F618 HydrophobicContact CD2-CE1 3.91Å; L616-F618 HydrophobicContact CG-CE1 4.21Å; L616-F618 PolarHBondContact O-N 3.4Å |
| 619 | L | 76.9 | Confident | 73.8 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -107.4 | 12.7 | 177.3 | -65.8 | 175.7 | 0 | 0 | 0 | 113.8 | I482 R485 I513 R514 T617 F654 | I482-L619 HydrophobicContact CG2-CD1 3.57Å; R485-L619 HydrophobicContact CB-CD2 4.22Å; R485-L619 HydrophobicContact CG-CD2 4.4Å; I513-L619 HydrophobicContact CG2-CB 4.18Å; I513-L619 HydrophobicContact CG2-CD1 3.89Å; R514-L619 VanDerWaalsContact CZ-O 3.28Å; R514-L619 PolarHBondContact NE-O 3.49Å; R514-L619 PolarHBondContact NH2-O 3.22Å; T617-L619 PolarHBondContact O-N 3.36Å; T617-L619 VanDerWaalsContact O-N 3.16Å; L619-F654 HydrophobicContact CD1-CE2 3.77Å; L619-F654 HydrophobicContact CD1-CZ 4.03Å |
| 620 | D | 74.3 | Confident | 71.7 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -64.3 | 159.7 | 178.8 | -70.2 | -18.4 | 0 | 0 | 0 | 112.2 | T617 E622 A623 | T617-D620 PolarHBondContact O-N 3.43Å; D620-E622 PolarHBondContact O-N 3.06Å; D620-A623 WeakPolarHBondContact O-CB 3.26Å; D620-A623 PolarHBondContact O-N 3.02Å |
| 621 | E | 60.1 | Low | 69.3 | Low | 154 Ų | 154 | 60.2 Ų | 60.2 | 72% | 0.72 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -51.3 | -23.6 | -165.3 | -63.8 | -179.2 | 169 | 0 | 0 | 116.1 | A623 D624 | E621-A623 PolarHBondContact O-N 3.28Å; E621-D624 PolarHBondContact O-N 2.92Å |
| 622 | E | 55.8 | Low | 66.6 | Low | 161 Ų | 161 | 66 Ų | 66 | 75% | 0.752 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -71.7 | -9.2 | 176.6 | -63.3 | 178.3 | 168.2 | 0 | 0 | 113.9 | K225 D620 | K225-E622 IonicContact NZ-OE2 2.65Å; K225-E622 PolarHBondContact NZ-OE2 2.98Å; D620-E622 PolarHBondContact O-N 3.06Å |
| 623 | A | 54.9 | Low | 63.9 | Low | 30 Ų | 30 | 69.4 Ų | 69.4 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -93.6 | 0.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D620 E621 D625 S626 | D620-A623 WeakPolarHBondContact O-CB 3.26Å; D620-A623 PolarHBondContact O-N 3.02Å; E621-A623 PolarHBondContact O-N 3.28Å; A623-D625 VanDerWaalsContact C-N 3.32Å; A623-D625 PolarHBondContact O-N 2.74Å; A623-S626 PolarHBondContact O-N 3.31Å; A623-S626 PolarHBondContact O-OG 2.96Å |
| 624 | D | 53.8 | Low | 61.1 | Low | 44 Ų | 44 | 73.9 Ų | 73.9 | 24% | 0.235 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -61.1 | -32 | -170.9 | -88 | 10.4 | 0 | 0 | 0 | 114.8 | R514 E621 S626 L627 T653 | R514-D624 IonicContact CZ-OD1 3.53Å; R514-D624 VanDerWaalsContact CZ-OD1 3.31Å; R514-D624 IonicContact NH1-OD1 2.68Å; R514-D624 PolarHBondContact NH1-OD1 2.99Å; R514-D624 VanDerWaalsContact NH1-OD1 3.11Å; R514-D624 IonicContact NH1-OD2 3.3Å; R514-D624 IonicContact NH2-OD1 2.65Å; R514-D624 PolarHBondContact NH2-OD1 2.96Å; E621-D624 PolarHBondContact O-N 2.92Å; D624-S626 PolarHBondContact O-N 2.92Å; D624-L627 PolarHBondContact O-N 2.99Å; D624-L627 WeakPolarHBondContact OD1-CD1 3.48Å; D624-T653 PolarHBondContact OD1-OG1 3.31Å; D624-T653 VanDerWaalsContact OD1-OG1 3.05Å; D624-T653 PolarHBondContact OD2-OG1 3.34Å |
| 625 | D | 52.1 | Low | 58.5 | Low | 148 Ų | 148 | 81 Ų | 81 | 79% | 0.791 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -62.3 | -4.7 | 180 | -75.8 | -15.4 | 0 | 0 | 0 | 113.8 | A623 | A623-D625 VanDerWaalsContact C-N 3.32Å; A623-D625 PolarHBondContact O-N 2.74Å |
| 626 | S | 53.9 | Low | 56 | Low | 26 Ų | 26 | 81.8 Ų | 81.8 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -122.4 | -5.1 | -174.9 | 68.6 | 0 | 0 | 0 | 0 | 115.2 | R485 A623 D624 F628 | R485-S626 PolarHBondContact NH1-O 2.76Å; R485-S626 PolarHBondContact NH2-O 2.72Å; A623-S626 PolarHBondContact O-N 3.31Å; A623-S626 PolarHBondContact O-OG 2.96Å; D624-S626 PolarHBondContact O-N 2.92Å; S626-F628 VanDerWaalsContact C-N 3.31Å; S626-F628 PolarHBondContact O-N 2.94Å |
| 627 | L | 57.6 | Low | 53.2 | Low | 3 Ų | 3 | 88.1 Ų | 88.1 | 2% | 0.016 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -67.3 | -29.2 | -172.2 | -71.1 | 175.1 | 0 | 0 | 0 | 113.5 | R485 D624 F654 | R485-L627 PolarHBondContact NH2-O 3.37Å; D624-L627 PolarHBondContact O-N 2.99Å; D624-L627 WeakPolarHBondContact OD1-CD1 3.48Å; L627-F654 HydrophobicContact CD1-CB 4.43Å |
| 628 | F | 56.5 | Low | 51 | Low | 83 Ų | 83 | 95.9 Ų | 95.9 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -107 | -4.9 | -174.9 | -61.4 | -78.2 | 0 | 0 | 0 | 115 | S626 D630 Q656 | S626-F628 VanDerWaalsContact C-N 3.31Å; S626-F628 PolarHBondContact O-N 2.94Å; F628-D630 VanDerWaalsContact C-N 3.29Å; F628-D630 PolarHBondContact O-N 3.47Å; F628-Q656 HydrophobicContact CZ-CB 4.38Å |
| 629 | D | 52.3 | Low | 48.8 | Very low | 94 Ų | 94 | 101.4 Ų | 101.4 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.5 | -173.6 | -81.7 | -15 | 0 | 0 | 0 | 114.3 | R490 | R490-D629 IonicContact CZ-OD2 2.74Å; R490-D629 IonicContact NH1-OD2 3.62Å; R490-D629 IonicContact NH2-OD2 2.82Å; R490-D629 PolarHBondContact NH2-OD2 3.46Å |
| 630 | D | 46.4 | Very low | 46.5 | Very low | 102 Ų | 102 | 113.4 Ų | 113.4 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.5 | 18 | -173.5 | -56.6 | -51.5 | 0 | 0 | 0 | 113.3 | R485 F628 | R485-D630 IonicContact CZ-OD2 3.82Å; R485-D630 IonicContact NH1-OD2 2.6Å; R485-D630 PolarHBondContact NH1-OD2 3.04Å; R485-D630 IonicContact NH2-OD2 3.98Å; F628-D630 VanDerWaalsContact C-N 3.29Å; F628-D630 PolarHBondContact O-N 3.47Å |
| 631 | V | 45.1 | Very low | 44.3 | Very low | 68 Ų | 68 | 113.3 Ų | 113.3 | 41% | 0.412 | 57% | 0.566 | S | S | . | * | trans | -84.1 | -3.1 | 170.6 | -158.7 | 0 | 0 | 0 | 0 | 111 | Y657 | V631-Y657 HydrophobicContact CG2-CE2 4.46Š| ||
| 632 | D | 37.3 | Very low | 42.9 | Very low | 128 Ų | 128 | 115.8 Ų | 115.8 | 68% | 0.684 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -89.7 | 100.5 | 173 | -65.7 | -23 | 0 | 0 | 0 | 108.7 | ||
| 633 | D | 34.9 | Very low | 41.7 | Very low | 101 Ų | 101 | 116.2 Ų | 116.2 | 54% | 0.54 | 57% | 0.573 | S | S | . | * | trans | 87.2 | 128.5 | 164.7 | -55.8 | -32.6 | 0 | 0 | 0 | 119.8 | ||||
| 634 | E | 34.7 | Very low | 40.6 | Very low | 187 Ų | 187 | 122.6 Ų | 122.6 | 87% | 0.874 | 60% | 0.603 | S | S | * | * | S | Bend | -139.7 | 11.8 | 63.2 | -86.4 | -175.1 | 167.2 | 0 | 0 | 118 | |||
| 635 | D | 35.7 | Very low | 39.5 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -140 | 16.1 | -180 | -101.7 | -27.8 | 0 | 0 | 0 | 116 | ||
| 636 | N | 37 | Very low | 38.6 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 68% | 0.679 | 63% | 0.625 | S | S | * | * | trans | -152.3 | 57.5 | 176 | -139.7 | -10.1 | 0 | 0 | 0 | 112.9 | E638 | N636-E638 PolarHBondContact O-N 3.01Š| ||
| 637 | D | 31.6 | Very low | 37.9 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | trans | -69.4 | 109.1 | 161.9 | -105.4 | -30.9 | 0 | 0 | 0 | 108.3 | ||||
| 638 | E | 36.8 | Very low | 37 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | trans | 127.2 | 70.3 | 155.2 | -158.1 | 171.3 | -139.6 | 0 | 0 | 115.8 | N636 | N636-E638 PolarHBondContact O-N 3.01Š| ||
| 639 | Y | 37.2 | Very low | 36.4 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | trans | -149.3 | 73.1 | 146 | -80.7 | -70.1 | 0 | 0 | 0 | 112 | A641 | Y639-A641 VanDerWaalsContact C-N 3.3Å; Y639-A641 PolarHBondContact O-N 3.03Å | ||
| 640 | R | 28.9 | Very low | 36.2 | Very low | 257 Ų | 257 | 135.6 Ų | 135.6 | 97% | 0.97 | 71% | 0.707 | S | S | * | * | trans | -87 | 75.1 | 152.9 | -88.2 | -168.3 | 165.3 | 178.6 | 0.6 | 109.6 | ||||
| 641 | A | 28.6 | Very low | 36.8 | Very low | 49 Ų | 49 | 140.7 Ų | 140.7 | 41% | 0.405 | 73% | 0.725 | S | S | . | * | trans | -103.2 | 124.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y639 Y643 | Y639-A641 VanDerWaalsContact C-N 3.3Å; Y639-A641 PolarHBondContact O-N 3.03Å; A641-Y643 HydrophobicContact CB-CD2 4.14Å; A641-Y643 HydrophobicContact CB-CE2 3.74Å; A641-Y643 VanDerWaalsContact O-CD2 3.28Å; A641-Y643 WeakPolarHBondContact O-CD2 3.34Å; A641-Y643 PolarHBondContact O-N 3.15Å | ||
| 642 | E | 30.1 | Very low | 38.1 | Very low | 207 Ų | 207 | 138.8 Ų | 138.8 | 97% | 0.967 | 71% | 0.712 | S | S | * | * | trans | -56.4 | 85.4 | 171.6 | -71.9 | 174.9 | 153.6 | 0 | 0 | 109.9 | N644 | E642-N644 PolarHBondContact O-N 3.23Š| ||
| 643 | Y | 30.4 | Very low | 40 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 67% | 0.667 | 69% | 0.69 | S | S | * | * | trans | -83.6 | 112.8 | 166.5 | -73.7 | -74.4 | 0 | 0 | 0 | 107.4 | A641 T645 | A641-Y643 HydrophobicContact CB-CD2 4.14Å; A641-Y643 HydrophobicContact CB-CE2 3.74Å; A641-Y643 VanDerWaalsContact O-CD2 3.28Å; A641-Y643 WeakPolarHBondContact O-CD2 3.34Å; A641-Y643 PolarHBondContact O-N 3.15Å; Y643-T645 PolarHBondContact O-N 3.43Å | ||
| 644 | N | 32 | Very low | 42.2 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 87% | 0.872 | 66% | 0.664 | S | S | * | * | trans | -45.9 | 110.8 | 161.3 | -86.2 | -45.2 | 0 | 0 | 0 | 108.4 | E642 | E642-N644 PolarHBondContact O-N 3.23Š| ||
| 645 | T | 31.5 | Very low | 44.3 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 78% | 0.779 | 63% | 0.625 | S | S | * | * | trans | -56.1 | 129.1 | 171 | 30.8 | 0 | 0 | 0 | 0 | 108.4 | Y643 D647 | Y643-T645 PolarHBondContact O-N 3.43Å; T645-D647 PolarHBondContact O-N 3.31Å | ||
| 646 | P | 32.8 | Very low | 46.5 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | trans | -62 | 124.8 | 163.1 | -2.9 | 16.5 | 0 | 0 | 0 | 106.6 | L648 | P646-L648 VanDerWaalsContact C-N 3.31Å; P646-L648 PolarHBondContact O-N 3.03Å | ||
| 647 | D | 38 | Very low | 48.6 | Very low | 166 Ų | 166 | 113.4 Ų | 113.4 | 89% | 0.888 | 58% | 0.579 | S | S | * | * | trans | -58.7 | 90.9 | 174.8 | -174.3 | 20.5 | 0 | 0 | 0 | 109.4 | T645 | T645-D647 PolarHBondContact O-N 3.31Š| ||
| 648 | L | 39.4 | Very low | 51 | Low | 144 Ų | 144 | 107.1 Ų | 107.1 | 75% | 0.754 | 55% | 0.546 | S | S | * | . | trans | -112.6 | 63.3 | -175.1 | -147.4 | 93.8 | 0 | 0 | 0 | 110.6 | P646 S650 | P646-L648 VanDerWaalsContact C-N 3.31Å; P646-L648 PolarHBondContact O-N 3.03Å; L648-S650 VanDerWaalsContact C-N 3.25Å; L648-S650 PolarHBondContact O-N 2.93Å | ||
| 649 | G | 43.9 | Very low | 53.2 | Low | 85 Ų | 85 | 101.6 Ų | 101.6 | 88% | 0.876 | 52% | 0.524 | S | S | * | . | S | Bend | trans | 54.4 | -15.7 | 144 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||
| 650 | S | 47.9 | Very low | 55.3 | Low | 41 Ų | 41 | 98.1 Ų | 98.1 | 29% | 0.287 | 51% | 0.513 | S | S | . | . | trans | -105.2 | 121.3 | 179.2 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | L648 D652 D655 Q656 | L648-S650 VanDerWaalsContact C-N 3.25Å; L648-S650 PolarHBondContact O-N 2.93Å; S650-D652 PolarHBondContact O-N 3.13Å; S650-D652 PolarHBondContact OG-N 2.9Å; S650-D655 PolarHBondContact OG-OD2 3.15Å; S650-Q656 PolarHBondContact O-NE2 2.91Å | ||
| 651 | K | 58.8 | Low | 57.8 | Low | 210 Ų | 210 | 87 Ų | 87 | 91% | 0.913 | 47% | 0.473 | S | S | * | . | trans | -78 | -5.4 | 174.5 | -70.2 | -176.6 | 176.4 | -178.8 | 0 | 113.2 | ||||
| 652 | D | 73.6 | Confident | 60.2 | Low | 28 Ų | 28 | 87.3 Ų | 87.3 | 15% | 0.15 | 47% | 0.468 | C | S | . | . | trans | -86.7 | 121.1 | -172.6 | -172.1 | 4.3 | 0 | 0 | 0 | 111.1 | R514 R516 S650 F654 D655 Q656 | R514-D652 IonicContact CZ-OD1 3.64Å; R514-D652 IonicContact NH1-OD1 3.95Å; R514-D652 PolarHBondContact NH1-OD1 3.06Å; R516-D652 IonicContact CZ-OD2 2.81Å; R516-D652 IonicContact NH1-OD2 3.61Å; R516-D652 IonicContact NH2-OD2 3.74Å; S650-D652 PolarHBondContact O-N 3.13Å; S650-D652 PolarHBondContact OG-N 2.9Å; D652-F654 VanDerWaalsContact C-N 3.29Å; D652-F654 PolarHBondContact O-N 3.49Å; D652-F654 PolarHBondContact OD1-N 3.39Å; D652-D655 HydrophobicContact CB-CB 4.32Å; D652-D655 WeakPolarHBondContact O-CB 3.31Å; D652-D655 PolarHBondContact O-N 3.32Å; D652-Q656 PolarHBondContact O-N 2.88Å | ||
| 653 | T | 76.6 | Confident | 62.3 | Low | 34 Ų | 34 | 83.7 Ų | 83.7 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.6 | -36.7 | -179.2 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | R514 D624 Q656 Y657 | R514-T653 PolarHBondContact NH1-OG1 3.26Å; D624-T653 PolarHBondContact OD1-OG1 3.31Å; D624-T653 VanDerWaalsContact OD1-OG1 3.05Å; D624-T653 PolarHBondContact OD2-OG1 3.34Å; T653-Q656 WeakPolarHBondContact O-CB 3.32Å; T653-Q656 PolarHBondContact O-N 3.05Å; T653-Y657 PolarHBondContact O-N 3.42Å |
| 654 | F | 80.2 | Confident | 64 | Low | 1 Ų | 1 | 79.6 Ų | 79.6 | 0% | 0.004 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.2 | -36.2 | 178.5 | -178.6 | -108.1 | 0 | 0 | 0 | 112.2 | I482 I513 R514 L619 L627 D652 Q656 Y657 I658 | I482-F654 HydrophobicContact CD1-CZ 4.07Å; I482-F654 HydrophobicContact CG1-CE2 4.31Å; I482-F654 HydrophobicContact CG1-CZ 4.16Å; I513-F654 HydrophobicContact CB-CE1 4.49Å; I513-F654 HydrophobicContact CD1-CZ 4.28Å; I513-F654 HydrophobicContact CG2-CD1 4.48Å; I513-F654 HydrophobicContact CG2-CE1 3.77Å; I513-F654 HydrophobicContact CG2-CZ 3.86Å; R514-F654 VanDerWaalsContact CZ-CB 3.47Å; R514-F654 VanDerWaalsContact NH1-CB 3.33Å; L619-F654 HydrophobicContact CD1-CE2 3.77Å; L619-F654 HydrophobicContact CD1-CZ 4.03Å; L627-F654 HydrophobicContact CD1-CB 4.43Å; D652-F654 VanDerWaalsContact C-N 3.29Å; D652-F654 PolarHBondContact O-N 3.49Å; D652-F654 PolarHBondContact OD1-N 3.39Å; F654-Q656 VanDerWaalsContact C-N 3.3Å; F654-Q656 PolarHBondContact O-N 2.98Å; F654-Y657 HydrophobicContact CD2-CD1 4.46Å; F654-Y657 HydrophobicContact CE2-CD1 4.5Å; F654-Y657 PolarHBondContact O-N 3.37Å; F654-I658 HydrophobicContact CD1-CG1 4.35Å; F654-I658 HydrophobicContact CE1-CD1 4.38Å; F654-I658 HydrophobicContact CE1-CG1 4.02Å; F654-I658 HydrophobicContact CE2-CD1 4.18Å; F654-I658 HydrophobicContact CE2-CG1 4.27Å; F654-I658 HydrophobicContact CZ-CD1 3.88Å; F654-I658 HydrophobicContact CZ-CG1 3.97Å; F654-I658 VanDerWaalsContact O-CG1 3.3Å; F654-I658 WeakPolarHBondContact O-CG1 3.36Å; F654-I658 PolarHBondContact O-N 3.24Å |
| 655 | D | 80 | Confident | 65.3 | Low | 10 Ų | 10 | 74 Ų | 74 | 5% | 0.053 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 174 | -77.1 | -18 | 0 | 0 | 0 | 111.8 | R472 R516 S650 D652 T659 | R472-D655 IonicContact CZ-OD1 3.96Å; R472-D655 IonicContact NH1-OD1 2.94Å; R472-D655 PolarHBondContact NH1-OD1 3.02Å; R472-D655 IonicContact NH1-OD2 3.51Å; R472-D655 IonicContact NH2-OD1 2.77Å; R472-D655 PolarHBondContact NH2-OD1 3.35Å; R472-D655 IonicContact NH2-OD2 3.24Å; R472-D655 PolarHBondContact NH2-OD2 2.82Å; R516-D655 IonicContact CZ-OD2 2.87Å; R516-D655 IonicContact NH1-OD1 2.79Å; R516-D655 PolarHBondContact NH1-OD1 2.98Å; R516-D655 IonicContact NH1-OD2 3.97Å; R516-D655 PolarHBondContact NH1-OD2 2.84Å; R516-D655 IonicContact NH2-OD2 3.67Å; S650-D655 PolarHBondContact OG-OD2 3.15Å; D652-D655 HydrophobicContact CB-CB 4.32Å; D652-D655 WeakPolarHBondContact O-CB 3.31Å; D652-D655 PolarHBondContact O-N 3.32Å; D655-T659 VanDerWaalsContact O-CB 3.28Å; D655-T659 WeakPolarHBondContact O-CB 3.34Å; D655-T659 PolarHBondContact O-N 3.2Å; D655-T659 PolarHBondContact O-OG1 3.08Å |
| 656 | Q | 80.4 | Confident | 66.8 | Low | 99 Ų | 99 | 70.9 Ų | 70.9 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 176.9 | -64.7 | 175.7 | 10.6 | 0 | 0 | 110.8 | F628 S650 D652 T653 F654 T659 Q660 | F628-Q656 HydrophobicContact CZ-CB 4.38Å; S650-Q656 PolarHBondContact O-NE2 2.91Å; D652-Q656 PolarHBondContact O-N 2.88Å; T653-Q656 WeakPolarHBondContact O-CB 3.32Å; T653-Q656 PolarHBondContact O-N 3.05Å; F654-Q656 VanDerWaalsContact C-N 3.3Å; F654-Q656 PolarHBondContact O-N 2.98Å; Q656-T659 PolarHBondContact O-N 3.33Å; Q656-Q660 WeakPolarHBondContact O-CB 3.11Å; Q656-Q660 PolarHBondContact O-N 3.3Å |
| 657 | Y | 80.9 | Confident | 68.1 | Low | 17 Ų | 17 | 69.7 Ų | 69.7 | 7% | 0.067 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.7 | -50.3 | 174.7 | 175.2 | -108.6 | 0 | 0 | 0 | 112.2 | V631 T653 F654 T659 Q660 L661 | V631-Y657 HydrophobicContact CG2-CE2 4.46Å; T653-Y657 PolarHBondContact O-N 3.42Å; F654-Y657 HydrophobicContact CD2-CD1 4.46Å; F654-Y657 HydrophobicContact CE2-CD1 4.5Å; F654-Y657 PolarHBondContact O-N 3.37Å; Y657-T659 VanDerWaalsContact C-N 3.31Å; Y657-T659 PolarHBondContact O-N 3.03Å; Y657-Q660 PolarHBondContact O-N 3.06Å; Y657-L661 HydrophobicContact CD1-CD1 4.07Å; Y657-L661 HydrophobicContact CE1-CD1 3.5Å; Y657-L661 VanDerWaalsContact CE1-CD1 3.5Å; Y657-L661 HydrophobicContact CE1-CG 4.37Å; Y657-L661 HydrophobicContact CE2-CD1 4.21Å; Y657-L661 HydrophobicContact CE2-CG 4.29Å; Y657-L661 WeakPolarHBondContact O-CG 3.27Å; Y657-L661 PolarHBondContact O-N 2.92Å |
| 658 | I | 83.7 | Confident | 69.5 | Low | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.015 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 177.3 | -62.2 | -69.7 | 0 | 0 | 0 | 111.1 | M474 I478 I482 F654 L661 L662 | M474-I658 HydrophobicContact CE-CG2 4.33Å; M474-I658 HydrophobicContact SD-CG2 4.2Å; I478-I658 HydrophobicContact CG2-CD1 3.41Å; I478-I658 VanDerWaalsContact CG2-CD1 3.41Å; I478-I658 HydrophobicContact CG2-CG2 4.23Å; I482-I658 HydrophobicContact CD1-CD1 4.03Å; I482-I658 HydrophobicContact CG1-CD1 4.24Å; F654-I658 HydrophobicContact CD1-CG1 4.35Å; F654-I658 HydrophobicContact CE1-CD1 4.38Å; F654-I658 HydrophobicContact CE1-CG1 4.02Å; F654-I658 HydrophobicContact CE2-CD1 4.18Å; F654-I658 HydrophobicContact CE2-CG1 4.27Å; F654-I658 HydrophobicContact CZ-CD1 3.88Å; F654-I658 HydrophobicContact CZ-CG1 3.97Å; F654-I658 VanDerWaalsContact O-CG1 3.3Å; F654-I658 WeakPolarHBondContact O-CG1 3.36Å; F654-I658 PolarHBondContact O-N 3.24Å; I658-L661 PolarHBondContact O-N 3.19Å; I658-L662 HydrophobicContact CG2-CD1 4.14Å; I658-L662 WeakPolarHBondContact O-CG 3.36Å; I658-L662 PolarHBondContact O-N 2.94Å |
| 659 | T | 82.9 | Confident | 71.1 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 33% | 0.331 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | D655 Q656 Y657 L662 H663 | D655-T659 VanDerWaalsContact O-CB 3.28Å; D655-T659 WeakPolarHBondContact O-CB 3.34Å; D655-T659 PolarHBondContact O-N 3.2Å; D655-T659 PolarHBondContact O-OG1 3.08Å; Q656-T659 PolarHBondContact O-N 3.33Å; Y657-T659 VanDerWaalsContact C-N 3.31Å; Y657-T659 PolarHBondContact O-N 3.03Å; T659-L662 PolarHBondContact O-N 2.81Å; T659-H663 VanDerWaalsContact CG2-CD2 3.49Å; T659-H663 WeakPolarHBondContact CG2-CD2 3.36Å; T659-H663 WeakPolarHBondContact O-CB 3.2Å; T659-H663 PolarHBondContact O-CD2 3.15Å; T659-H663 VanDerWaalsContact O-CD2 3.22Å; T659-H663 PolarHBondContact O-N 3.1Å |
| 660 | Q | 81.7 | Confident | 72.7 | Confident | 88 Ų | 88 | 65.6 Ų | 65.6 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 174.4 | -174.9 | 178.3 | -1.1 | 0 | 0 | 111.5 | Q656 Y657 L662 H663 S664 | Q656-Q660 WeakPolarHBondContact O-CB 3.11Å; Q656-Q660 PolarHBondContact O-N 3.3Å; Y657-Q660 PolarHBondContact O-N 3.06Å; Q660-L662 VanDerWaalsContact C-N 3.28Å; Q660-L662 PolarHBondContact O-N 3Å; Q660-H663 PolarHBondContact O-N 2.69Å; Q660-S664 PolarHBondContact O-N 3.32Å; Q660-S664 PolarHBondContact O-OG 3.02Å |
| 661 | L | 79.9 | Confident | 74.3 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 12% | 0.12 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -34.1 | 174.9 | -71.9 | 177 | 0 | 0 | 0 | 112.9 | I478 H481 Y657 I658 S664 | I478-L661 HydrophobicContact CD1-CB 3.77Å; I478-L661 HydrophobicContact CD1-CD1 4.36Å; H481-L661 HydrophobicContact CB-CD1 3.82Å; Y657-L661 HydrophobicContact CD1-CD1 4.07Å; Y657-L661 HydrophobicContact CE1-CD1 3.5Å; Y657-L661 VanDerWaalsContact CE1-CD1 3.5Å; Y657-L661 HydrophobicContact CE1-CG 4.37Å; Y657-L661 HydrophobicContact CE2-CD1 4.21Å; Y657-L661 HydrophobicContact CE2-CG 4.29Å; Y657-L661 WeakPolarHBondContact O-CG 3.27Å; Y657-L661 PolarHBondContact O-N 2.92Å; I658-L661 PolarHBondContact O-N 3.19Å; L661-S664 PolarHBondContact O-OG 3.48Å; L661-S664 VanDerWaalsContact O-OG 3.11Å |
| 662 | L | 79.2 | Confident | 75.2 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 29% | 0.293 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.2 | -42.4 | 174.4 | -71.2 | 168.4 | 0 | 0 | 0 | 111.2 | M474 P475 I478 I658 T659 Q660 T665 | M474-L662 HydrophobicContact SD-CD1 4.06Å; P475-L662 HydrophobicContact CG-CD2 4.42Å; I478-L662 HydrophobicContact CD1-CD2 4.05Å; I478-L662 HydrophobicContact CD1-CG 4.27Å; I478-L662 HydrophobicContact CG1-CD2 4.19Å; I658-L662 HydrophobicContact CG2-CD1 4.14Å; I658-L662 WeakPolarHBondContact O-CG 3.36Å; I658-L662 PolarHBondContact O-N 2.94Å; T659-L662 PolarHBondContact O-N 2.81Å; Q660-L662 VanDerWaalsContact C-N 3.28Å; Q660-L662 PolarHBondContact O-N 3Å; L662-T665 PolarHBondContact O-N 2.94Å; L662-T665 PolarHBondContact O-OG1 3.21Å |
| 663 | H | 74.4 | Confident | 75.4 | Confident | 131 Ų | 131 | 59.8 Ų | 59.8 | 61% | 0.606 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -72.4 | -33.1 | -177.7 | -79.6 | -49.2 | 0 | 0 | 0 | 114.6 | T659 Q660 T665 A666 | T659-H663 VanDerWaalsContact CG2-CD2 3.49Å; T659-H663 WeakPolarHBondContact CG2-CD2 3.36Å; T659-H663 WeakPolarHBondContact O-CB 3.2Å; T659-H663 PolarHBondContact O-CD2 3.15Å; T659-H663 VanDerWaalsContact O-CD2 3.22Å; T659-H663 PolarHBondContact O-N 3.1Å; Q660-H663 PolarHBondContact O-N 2.69Å; H663-T665 PolarHBondContact O-N 3.39Å; H663-T665 VanDerWaalsContact O-N 3.07Å; H663-A666 PolarHBondContact O-N 2.65Å |
| 664 | S | 66.3 | Low | 75.4 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 59% | 0.587 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19 | 175.8 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | Q660 L661 | Q660-S664 PolarHBondContact O-N 3.32Å; Q660-S664 PolarHBondContact O-OG 3.02Å; L661-S664 PolarHBondContact O-OG 3.48Å; L661-S664 VanDerWaalsContact O-OG 3.11Å |
| 665 | T | 59.4 | Low | 74.7 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 27% | 0.27 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -2.2 | -177.9 | 61.9 | 0 | 0 | 0 | 0 | 115 | R477 H528 L662 H663 T667 | R477-T665 PolarHBondContact NH2-OG1 3.42Å; H528-T665 PolarHBondContact CD2-O 3.32Å; L662-T665 PolarHBondContact O-N 2.94Å; L662-T665 PolarHBondContact O-OG1 3.21Å; H663-T665 PolarHBondContact O-N 3.39Å; H663-T665 VanDerWaalsContact O-N 3.07Å; T665-T667 PolarHBondContact O-N 3.02Å |
| 666 | A | 62.4 | Low | 73.4 | Confident | 62 Ų | 62 | 78 Ų | 78 | 51% | 0.512 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -76 | 120.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H663 K668 | H663-A666 PolarHBondContact O-N 2.65Å; A666-K668 PolarHBondContact O-N 2.93Å |
| 667 | T | 60.5 | Low | 72.1 | Confident | 83 Ų | 83 | 75.6 Ų | 75.6 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 122.2 | 178.7 | -37.2 | 0 | 0 | 0 | 0 | 110.8 | T665 V817 | T665-T667 PolarHBondContact O-N 3.02Å; T667-V817 HydrophobicContact CG2-CG2 4.32Å |
| 668 | K | 67.1 | Low | 70.6 | Confident | 120 Ų | 120 | 83.9 Ų | 83.9 | 52% | 0.522 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 140.1 | 171.5 | -66.5 | 175 | -174.6 | 170.6 | 0 | 108.9 | A666 Y670 | A666-K668 PolarHBondContact O-N 2.93Å; K668-Y670 HydrophobicContact CB-CD2 4.21Å; K668-Y670 HydrophobicContact CB-CE1 4.46Å; K668-Y670 HydrophobicContact CB-CE2 3.39Å; K668-Y670 HydrophobicContact CD-CE2 4.43Å; K668-Y670 WeakPolarHBondContact CD-OH 3.46Å; K668-Y670 WeakPolarHBondContact O-CD2 3.29Å |
| 669 | S | 72.4 | Confident | 69.1 | Low | 103 Ų | 103 | 91.5 Ų | 91.5 | 72% | 0.72 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 121.6 | -178.5 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | E814 | S669-E814 VanDerWaalsContact CA-OE1 3.3Å; S669-E814 WeakPolarHBondContact CA-OE1 3.18Å |
| 670 | Y | 78.9 | Confident | 68 | Low | 86 Ų | 86 | 93.8 Ų | 93.8 | 34% | 0.337 | 49% | 0.492 | S | S | . | . | trans | -129.1 | -25.6 | -178 | -57.6 | -74 | 0 | 0 | 0 | 113 | K668 V806 E814 | K668-Y670 HydrophobicContact CB-CD2 4.21Å; K668-Y670 HydrophobicContact CB-CE1 4.46Å; K668-Y670 HydrophobicContact CB-CE2 3.39Å; K668-Y670 HydrophobicContact CD-CE2 4.43Å; K668-Y670 WeakPolarHBondContact CD-OH 3.46Å; K668-Y670 WeakPolarHBondContact O-CD2 3.29Å; Y670-V806 HydrophobicContact CD1-CG2 3.37Å; Y670-V806 HydrophobicContact CD2-CG1 3.77Å; Y670-V806 HydrophobicContact CD2-CG2 4.02Å; Y670-V806 HydrophobicContact CE1-CG2 3.63Å; Y670-V806 HydrophobicContact CE2-CG1 4.11Å; Y670-V806 HydrophobicContact CE2-CG2 4.24Å; Y670-V806 HydrophobicContact CG-CB 4.37Å; Y670-V806 HydrophobicContact CG-CG1 4.01Å; Y670-V806 HydrophobicContact CG-CG2 3.55Å; Y670-E814 WeakPolarHBondContact CA-OE2 3.47Å; Y670-E814 VanDerWaalsContact N-CD 3.25Å; Y670-E814 PolarHBondContact N-OE1 3.32Å; Y670-E814 VanDerWaalsContact N-OE1 3.08Å; Y670-E814 PolarHBondContact N-OE2 3.38Å | ||
| 671 | L | 81.6 | Confident | 66.9 | Low | 16 Ų | 16 | 92 Ų | 92 | 8% | 0.084 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -72.6 | 139.4 | -179.2 | -76.8 | 171.9 | 0 | 0 | 0 | 112 | I770 L798 L811 E814 L815 | L671-I770 HydrophobicContact CD2-CG2 3.98Å; L671-L798 HydrophobicContact CD2-CD1 4.34Å; L671-L811 WeakPolarHBondContact CD1-O 3.43Å; L671-L811 HydrophobicContact CD2-CB 4.26Å; L671-L811 HydrophobicContact CD2-CD2 3.87Å; L671-L811 HydrophobicContact CD2-CG 4.45Å; L671-L811 HydrophobicContact CG-CB 4.49Å; L671-L811 HydrophobicContact CG-CD2 3.94Å; L671-E814 HydrophobicContact CD1-CB 4.14Å; L671-E814 HydrophobicContact CD1-CG 4.13Å; L671-E814 HydrophobicContact CG-CG 4.48Å; L671-E814 VanDerWaalsContact N-CD 3.33Å; L671-E814 PolarHBondContact N-OE1 3.45Å; L671-E814 VanDerWaalsContact N-OE1 3.13Å; L671-E814 PolarHBondContact N-OE2 3.37Å; L671-L815 HydrophobicContact CD1-CB 3.91Å; L671-L815 HydrophobicContact CD1-CD1 4.16Å |
| 672 | P | 77.9 | Confident | 66 | Low | 28 Ų | 28 | 91.8 Ų | 91.8 | 18% | 0.182 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 147 | 174.6 | 28.8 | -32.2 | 0 | 0 | 0 | 111 | I770 K771 Q779 | P672-I770 HydrophobicContact CG-CG2 4.26Å; P672-K771 HydrophobicContact CG-CB 4.44Å; P672-K771 HydrophobicContact CG-CG 4.25Å; P672-Q779 PolarHBondContact O-NE2 3.34Å |
| 673 | P | 76.3 | Confident | 64.6 | Low | 113 Ų | 113 | 91.3 Ų | 91.3 | 73% | 0.734 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 146.6 | 175.4 | 26.2 | -32.7 | 0 | 0 | 0 | 111.6 | Q675 | P673-Q675 PolarHBondContact O-N 3.34Š|
| 674 | I | 77.9 | Confident | 63.4 | Low | 73 Ų | 73 | 90.7 Ų | 90.7 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 130.1 | -179.5 | -53.4 | 174.3 | 0 | 0 | 0 | 110.8 | P774 L776 | I674-P774 WeakPolarHBondContact CG2-O 3.49Å; I674-L776 HydrophobicContact CD1-CD2 3.54Å; I674-L776 HydrophobicContact CD1-CG 3.62Å; I674-L776 HydrophobicContact CG1-CD2 4.07Å |
| 675 | Q | 65.5 | Low | 62.4 | Low | 117 Ų | 117 | 94.3 Ų | 94.3 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 117.8 | 173.4 | -62.1 | -171.3 | 22 | 0 | 0 | 109.7 | P673 G677 K771 C773 P774 | P673-Q675 PolarHBondContact O-N 3.34Å; Q675-G677 VanDerWaalsContact C-N 3.33Å; Q675-G677 PolarHBondContact O-N 3.39Å; Q675-K771 PolarHBondContact NE2-O 3Å; Q675-K771 VanDerWaalsContact NE2-O 3.1Å; Q675-C773 PolarHBondContact N-O 2.98Å; Q675-P774 WeakPolarHBondContact O-CA 3.1Å |
| 676 | R | 52.3 | Low | 62.2 | Low | 238 Ų | 238 | 94.5 Ų | 94.5 | 90% | 0.898 | 50% | 0.497 | S | S | * | . | trans | -68.3 | 86.2 | 178.9 | -72.2 | -174.4 | 178.5 | -177.2 | -0.4 | 111.4 | ||||
| 677 | G | 53.8 | Low | 62.4 | Low | 48 Ų | 48 | 94 Ų | 94 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | trans | -105.1 | 156.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q675 | Q675-G677 VanDerWaalsContact C-N 3.33Å; Q675-G677 PolarHBondContact O-N 3.39Å | ||
| 678 | Q | 48.1 | Very low | 62.7 | Low | 192 Ų | 192 | 92 Ų | 92 | 90% | 0.897 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -85.7 | 0.3 | -178.5 | -73.6 | -173.6 | -16.8 | 0 | 0 | 114.7 | ||
| 679 | H | 53.4 | Low | 62.7 | Low | 163 Ų | 163 | 92 Ų | 92 | 76% | 0.755 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -123.1 | 114.8 | -174.1 | -66.6 | -68.4 | 0 | 0 | 0 | 111.1 | ||
| 680 | H | 58.1 | Low | 62.5 | Low | 101 Ų | 101 | 89.9 Ų | 89.9 | 47% | 0.468 | 45% | 0.453 | S | S | . | . | trans | -61.2 | 148.4 | 169.2 | -70.4 | -74.7 | 0 | 0 | 0 | 111.1 | F682 D778 | H680-F682 VanDerWaalsContact C-N 3.34Å; H680-F682 CarbonylContact C-O 3.59Å; H680-F682 WeakPolarHBondContact CB-O 3.3Å; H680-D778 IonicContact ND1-OD1 3.5Å; H680-D778 IonicContact ND1-OD2 2.94Å; H680-D778 PolarHBondContact ND1-OD2 3Å | ||
| 681 | I | 58.5 | Low | 62.1 | Low | 50 Ų | 50 | 86 Ų | 86 | 26% | 0.256 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -72.2 | -34.4 | -179.4 | -69.4 | 169.1 | 0 | 0 | 0 | 110.5 | Q769 C773 D778 I782 | I681-Q769 HydrophobicContact CD1-CB 4.31Å; I681-C773 HydrophobicContact CD1-CB 4.17Å; I681-C773 WeakPolarHBondContact CD1-SG 3.31Å; I681-D778 HydrophobicContact CD1-CB 4.37Å; I681-D778 PolarHBondContact N-OD1 3.23Å; I681-I782 HydrophobicContact CD1-CD1 3.85Å; I681-I782 HydrophobicContact CG2-CD1 4.39Å |
| 682 | F | 61.4 | Low | 61.7 | Low | 19 Ų | 19 | 86.1 Ų | 86.1 | 8% | 0.083 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -98.8 | 149.8 | 167.8 | -57.3 | -71.4 | 0 | 0 | 0 | 110.2 | H680 I691 L751 L753 D781 I782 I785 | H680-F682 VanDerWaalsContact C-N 3.34Å; H680-F682 CarbonylContact C-O 3.59Å; H680-F682 WeakPolarHBondContact CB-O 3.3Å; F682-I691 HydrophobicContact CD2-CD1 4.1Å; F682-I691 HydrophobicContact CE2-CD1 4.33Å; F682-I691 HydrophobicContact CG-CD1 4.37Å; F682-L751 HydrophobicContact CD1-CD2 3.82Å; F682-L751 HydrophobicContact CE1-CD2 4Å; F682-L753 HydrophobicContact CE1-CD2 4.36Å; F682-D781 HydrophobicContact CD2-CB 4.27Å; F682-D781 HydrophobicContact CE2-CB 3.8Å; F682-I782 HydrophobicContact CE2-CG1 4.17Å; F682-I782 HydrophobicContact CZ-CG1 4.28Å; F682-I785 HydrophobicContact CE1-CD1 4.24Å; F682-I785 HydrophobicContact CZ-CD1 3.64Å |
| 683 | S | 51.3 | Low | 61.4 | Low | 47 Ų | 47 | 86.5 Ų | 86.5 | 33% | 0.329 | 44% | 0.441 | S | S | . | . | trans | -53.7 | 138.8 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | E685 H686 | S683-E685 PolarHBondContact O-N 3.46Å; S683-E685 PolarHBondContact OG-N 3.41Å; S683-H686 PolarHBondContact O-N 3.49Å | ||
| 684 | P | 48.6 | Very low | 61.3 | Low | 118 Ų | 118 | 82.9 Ų | 82.9 | 77% | 0.766 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -7.6 | 174.6 | 25.2 | -33.7 | 0 | 0 | 0 | 113.6 | ||
| 685 | E | 45.1 | Very low | 61.2 | Low | 160 Ų | 160 | 79.5 Ų | 79.5 | 75% | 0.748 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -16.1 | 172.7 | -61.1 | 170.8 | 168.7 | 0 | 0 | 113.2 | S683 | S683-E685 PolarHBondContact O-N 3.46Å; S683-E685 PolarHBondContact OG-N 3.41Å |
| 686 | H | 55.8 | Low | 61.4 | Low | 48 Ų | 48 | 74 Ų | 74 | 22% | 0.222 | 37% | 0.372 | C | S | . | . | trans | -98 | 119.6 | 179.5 | -61.5 | 144.5 | 0 | 0 | 0 | 111 | S683 E750 | S683-H686 PolarHBondContact O-N 3.49Å; H686-E750 PolarHBondContact CE1-O 3.44Å; H686-E750 VanDerWaalsContact CE1-O 3.23Å | ||
| 687 | T | 64.9 | Low | 62.3 | Low | 51 Ų | 51 | 67.3 Ų | 67.3 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | trans | -83.2 | 159.7 | 173.4 | 64.3 | 0 | 0 | 0 | 0 | 111 | R689 D690 I691 | T687-R689 PolarHBondContact O-N 3.36Å; T687-R689 VanDerWaalsContact O-N 3.07Å; T687-D690 PolarHBondContact N-OD2 3.3Å; T687-D690 WeakPolarHBondContact O-CA 3.33Å; T687-D690 WeakPolarHBondContact O-CB 3.39Å; T687-D690 PolarHBondContact O-N 3.18Å; T687-D690 VanDerWaalsContact OG1-CG 3.24Å; T687-D690 PolarHBondContact OG1-N 3.42Å; T687-D690 PolarHBondContact OG1-OD2 2.95Å; T687-I691 PolarHBondContact O-N 3.48Å | ||
| 688 | T | 67.8 | Low | 63.1 | Low | 41 Ų | 41 | 68.8 Ų | 68.8 | 25% | 0.252 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -51.9 | -32.2 | 170.6 | -48.2 | 0 | 0 | 0 | 0 | 111.7 | D690 I691 L692 Q777 Y830 | T688-D690 VanDerWaalsContact C-N 3.33Å; T688-D690 PolarHBondContact O-N 3.49Å; T688-I691 PolarHBondContact O-N 3.11Å; T688-L692 HydrophobicContact CG2-CD1 4.34Å; T688-L692 WeakPolarHBondContact O-CG 3.36Å; T688-L692 PolarHBondContact O-N 3.08Å; T688-Q777 PolarHBondContact OG1-NE2 2.92Å; T688-Q777 VanDerWaalsContact OG1-NE2 3.14Å; T688-Y830 HydrophobicContact CG2-CD1 4.13Å; T688-Y830 HydrophobicContact CG2-CD2 4.17Å; T688-Y830 HydrophobicContact CG2-CE1 3.71Å; T688-Y830 HydrophobicContact CG2-CE2 3.76Å; T688-Y830 HydrophobicContact CG2-CG 4.33Å; T688-Y830 VanDerWaalsContact CG2-CZ 3.5Å |
| 689 | R | 66.8 | Low | 64.1 | Low | 119 Ų | 119 | 64.3 Ų | 64.3 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65 | -34.5 | 175.4 | -170.2 | 179.4 | 178 | 109.1 | -1 | 112.6 | T687 S693 T706 | T687-R689 PolarHBondContact O-N 3.36Å; T687-R689 VanDerWaalsContact O-N 3.07Å; R689-S693 VanDerWaalsContact O-CB 3.23Å; R689-S693 WeakPolarHBondContact O-CB 3.17Å; R689-S693 PolarHBondContact O-N 2.68Å; R689-T706 PolarHBondContact NH2-O 3.47Å |
| 690 | D | 68.1 | Low | 64.7 | Low | 60 Ų | 60 | 59.7 Ų | 59.7 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.9 | -38.6 | 176.2 | -59.9 | -45.9 | 0 | 0 | 0 | 111.3 | T687 T688 S693 F694 | T687-D690 PolarHBondContact N-OD2 3.3Å; T687-D690 WeakPolarHBondContact O-CA 3.33Å; T687-D690 WeakPolarHBondContact O-CB 3.39Å; T687-D690 PolarHBondContact O-N 3.18Å; T687-D690 VanDerWaalsContact OG1-CG 3.24Å; T687-D690 PolarHBondContact OG1-N 3.42Å; T687-D690 PolarHBondContact OG1-OD2 2.95Å; T688-D690 VanDerWaalsContact C-N 3.33Å; T688-D690 PolarHBondContact O-N 3.49Å; D690-S693 PolarHBondContact O-N 3.01Å; D690-F694 WeakPolarHBondContact O-CB 3.45Å; D690-F694 PolarHBondContact O-N 3.34Å |
| 691 | I | 71.8 | Confident | 64.9 | Low | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 174.2 | -58.4 | 177.7 | 0 | 0 | 0 | 110.6 | F682 T687 T688 S693 F694 M695 L751 D781 Y784 I785 | F682-I691 HydrophobicContact CD2-CD1 4.1Å; F682-I691 HydrophobicContact CE2-CD1 4.33Å; F682-I691 HydrophobicContact CG-CD1 4.37Å; T687-I691 PolarHBondContact O-N 3.48Å; T688-I691 PolarHBondContact O-N 3.11Å; I691-S693 PolarHBondContact O-N 3.48Å; I691-F694 PolarHBondContact O-N 2.92Å; I691-M695 HydrophobicContact CG2-CG 4.48Å; I691-M695 WeakPolarHBondContact O-CB 3.33Å; I691-M695 WeakPolarHBondContact O-CG 3.39Å; I691-M695 PolarHBondContact O-N 3.36Å; I691-L751 HydrophobicContact CG1-CD2 4.1Å; I691-D781 HydrophobicContact CD1-CB 3.74Å; I691-Y784 HydrophobicContact CG2-CD1 4.23Å; I691-I785 HydrophobicContact CG2-CD1 4.44Å; I691-I785 HydrophobicContact CG2-CG1 4.32Å |
| 692 | L | 72.9 | Confident | 64.5 | Low | 20 Ų | 20 | 65.7 Ų | 65.7 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | 174.8 | -75.3 | 165.6 | 0 | 0 | 0 | 111.8 | T688 F694 M695 A696 Y784 Y830 I890 | T688-L692 HydrophobicContact CG2-CD1 4.34Å; T688-L692 WeakPolarHBondContact O-CG 3.36Å; T688-L692 PolarHBondContact O-N 3.08Å; L692-F694 PolarHBondContact O-N 3.13Å; L692-M695 PolarHBondContact O-N 2.85Å; L692-A696 WeakPolarHBondContact O-CB 3.2Å; L692-A696 PolarHBondContact O-N 3.35Å; L692-Y784 HydrophobicContact CD2-CD1 4.47Å; L692-Y784 HydrophobicContact CD2-CE1 3.59Å; L692-Y784 HydrophobicContact CD2-CE2 4.2Å; L692-Y784 VanDerWaalsContact CD2-CZ 3.43Å; L692-Y784 VanDerWaalsContact CD2-OH 3.3Å; L692-Y784 WeakPolarHBondContact CD2-OH 3.43Å; L692-Y784 HydrophobicContact CG-CE1 4.37Å; L692-Y830 HydrophobicContact CD1-CE2 4.05Å; L692-Y830 HydrophobicContact CD2-CE2 3.91Å; L692-Y830 HydrophobicContact CG-CE2 4.17Å; L692-I890 HydrophobicContact CD2-CD1 4.38Å; L692-I890 HydrophobicContact CD2-CG1 4.44Å |
| 693 | S | 71 | Confident | 63.9 | Low | 35 Ų | 35 | 68.3 Ų | 68.3 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 178.1 | 176.2 | 0 | 0 | 0 | 0 | 112 | R689 D690 I691 Q697 | R689-S693 VanDerWaalsContact O-CB 3.23Å; R689-S693 WeakPolarHBondContact O-CB 3.17Å; R689-S693 PolarHBondContact O-N 2.68Å; D690-S693 PolarHBondContact O-N 3.01Å; I691-S693 PolarHBondContact O-N 3.48Å; S693-Q697 WeakPolarHBondContact O-CG 3.02Å; S693-Q697 PolarHBondContact O-N 3.31Å; S693-Q697 VanDerWaalsContact O-N 3.13Å |
| 694 | F | 73.4 | Confident | 63.8 | Low | 38 Ų | 38 | 69.6 Ų | 69.6 | 17% | 0.167 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 177.2 | 174.6 | -104.6 | 0 | 0 | 0 | 112.1 | D690 I691 L692 A696 Q697 V698 L751 L753 | D690-F694 WeakPolarHBondContact O-CB 3.45Å; D690-F694 PolarHBondContact O-N 3.34Å; I691-F694 PolarHBondContact O-N 2.92Å; L692-F694 PolarHBondContact O-N 3.13Å; F694-A696 VanDerWaalsContact C-N 3.32Å; F694-A696 PolarHBondContact O-N 3.09Å; F694-Q697 WeakPolarHBondContact O-CB 3.29Å; F694-Q697 PolarHBondContact O-N 3.45Å; F694-Q697 VanDerWaalsContact O-N 3.08Å; F694-V698 HydrophobicContact CD1-CG2 4.34Å; F694-V698 HydrophobicContact CE1-CG2 3.94Å; F694-V698 HydrophobicContact CE2-CG2 4.25Å; F694-V698 HydrophobicContact CZ-CG2 3.89Å; F694-V698 WeakPolarHBondContact O-CG2 3.4Å; F694-V698 PolarHBondContact O-N 2.97Å; F694-L751 HydrophobicContact CB-CD1 3.35Å; F694-L751 HydrophobicContact CD1-CB 4.47Å; F694-L751 HydrophobicContact CD1-CD1 3.44Å; F694-L751 VanDerWaalsContact CD1-CD1 3.44Å; F694-L751 HydrophobicContact CD1-CG 4.49Å; F694-L751 HydrophobicContact CD2-CD1 3.86Å; F694-L751 HydrophobicContact CE1-CB 4.38Å; F694-L751 HydrophobicContact CE1-CD1 4.17Å; F694-L751 HydrophobicContact CG-CD1 3.27Å; F694-L753 HydrophobicContact CE1-CD1 3.93Å; F694-L753 HydrophobicContact CZ-CD1 4.42Å |
| 695 | M | 76 | Confident | 63.7 | Low | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 178.3 | -74.2 | -67.4 | 113.1 | 0 | 0 | 112.1 | I691 L692 Q697 V698 Q699 Y784 I785 V788 M789 | I691-M695 HydrophobicContact CG2-CG 4.48Å; I691-M695 WeakPolarHBondContact O-CB 3.33Å; I691-M695 WeakPolarHBondContact O-CG 3.39Å; I691-M695 PolarHBondContact O-N 3.36Å; L692-M695 PolarHBondContact O-N 2.85Å; M695-Q697 VanDerWaalsContact C-N 3.32Å; M695-Q697 PolarHBondContact O-N 3.05Å; M695-V698 PolarHBondContact O-N 3.01Å; M695-Q699 PolarHBondContact O-N 3.25Å; M695-Q699 VanDerWaalsContact O-N 3.11Å; M695-Y784 HydrophobicContact CB-CE1 3.99Å; M695-Y784 HydrophobicContact CG-CD1 4.32Å; M695-Y784 HydrophobicContact CG-CE1 3.83Å; M695-I785 HydrophobicContact CE-CG1 4.14Å; M695-I785 HydrophobicContact CE-CG2 4.26Å; M695-I785 HydrophobicContact CG-CG1 4.49Å; M695-I785 HydrophobicContact SD-CB 4.43Å; M695-I785 HydrophobicContact SD-CG1 4.11Å; M695-I785 HydrophobicContact SD-CG2 4.29Å; M695-V788 HydrophobicContact CB-CG1 4.25Å; M695-V788 HydrophobicContact CG-CG1 4.49Å; M695-V788 HydrophobicContact SD-CB 4.2Å; M695-V788 HydrophobicContact SD-CG1 3.89Å; M695-M789 HydrophobicContact SD-CG 4.46Å |
| 696 | A | 70.7 | Confident | 63.9 | Low | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L692 F694 Q699 G700 L701 M703 | L692-A696 WeakPolarHBondContact O-CB 3.2Å; L692-A696 PolarHBondContact O-N 3.35Å; F694-A696 VanDerWaalsContact C-N 3.32Å; F694-A696 PolarHBondContact O-N 3.09Å; A696-Q699 PolarHBondContact O-N 3.25Å; A696-G700 PolarHBondContact O-N 3.41Å; A696-L701 WeakPolarHBondContact O-CB 3.4Å; A696-L701 PolarHBondContact O-N 3.22Å; A696-M703 HydrophobicContact CB-CE 4.28Å; A696-M703 HydrophobicContact CB-CG 4.08Å |
| 697 | Q | 70.9 | Confident | 63.9 | Low | 96 Ų | 96 | 66.7 Ų | 66.7 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 174.9 | -69.3 | 173 | 28.4 | 0 | 0 | 112.4 | S693 F694 M695 Q699 G700 | S693-Q697 WeakPolarHBondContact O-CG 3.02Å; S693-Q697 PolarHBondContact O-N 3.31Å; S693-Q697 VanDerWaalsContact O-N 3.13Å; F694-Q697 WeakPolarHBondContact O-CB 3.29Å; F694-Q697 PolarHBondContact O-N 3.45Å; F694-Q697 VanDerWaalsContact O-N 3.08Å; M695-Q697 VanDerWaalsContact C-N 3.32Å; M695-Q697 PolarHBondContact O-N 3.05Å; Q697-Q699 VanDerWaalsContact C-N 3.25Å; Q697-Q699 PolarHBondContact O-N 2.59Å; Q697-G700 WeakPolarHBondContact O-CA 3.42Å; Q697-G700 PolarHBondContact O-N 2.97Å |
| 698 | V | 70.7 | Confident | 63.4 | Low | 79 Ų | 79 | 64.8 Ų | 64.8 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.3 | -34.9 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | F694 M695 G700 | F694-V698 HydrophobicContact CD1-CG2 4.34Å; F694-V698 HydrophobicContact CE1-CG2 3.94Å; F694-V698 HydrophobicContact CE2-CG2 4.25Å; F694-V698 HydrophobicContact CZ-CG2 3.89Å; F694-V698 WeakPolarHBondContact O-CG2 3.4Å; F694-V698 PolarHBondContact O-N 2.97Å; M695-V698 PolarHBondContact O-N 3.01Å; V698-G700 PolarHBondContact O-N 3.47Å |
| 699 | Q | 69.6 | Low | 62.7 | Low | 98 Ų | 98 | 66.3 Ų | 66.3 | 46% | 0.458 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 2.1 | 173.5 | -67.5 | -176.9 | -34.4 | 0 | 0 | 114 | M695 A696 Q697 L701 V788 | M695-Q699 PolarHBondContact O-N 3.25Å; M695-Q699 VanDerWaalsContact O-N 3.11Å; A696-Q699 PolarHBondContact O-N 3.25Å; Q697-Q699 VanDerWaalsContact C-N 3.25Å; Q697-Q699 PolarHBondContact O-N 2.59Å; Q699-L701 HydrophobicContact CB-CD1 4.15Å; Q699-L701 HydrophobicContact CB-CG 4.3Å; Q699-V788 HydrophobicContact CG-CG1 4.17Å |
| 700 | G | 65.6 | Low | 62 | Low | 66 Ų | 66 | 62.7 Ų | 62.7 | 68% | 0.68 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 15.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A696 Q697 V698 | A696-G700 PolarHBondContact O-N 3.41Å; Q697-G700 WeakPolarHBondContact O-CA 3.42Å; Q697-G700 PolarHBondContact O-N 2.97Å; V698-G700 PolarHBondContact O-N 3.47Å |
| 701 | L | 63 | Low | 60.8 | Low | 73 Ų | 73 | 65.4 Ų | 65.4 | 38% | 0.382 | 35% | 0.351 | S | S | . | . | trans | -96.1 | 134.1 | -177.5 | -58 | 168.7 | 0 | 0 | 0 | 110.7 | A696 Q699 | A696-L701 WeakPolarHBondContact O-CB 3.4Å; A696-L701 PolarHBondContact O-N 3.22Å; Q699-L701 HydrophobicContact CB-CD1 4.15Å; Q699-L701 HydrophobicContact CB-CG 4.3Å | ||
| 702 | K | 50.3 | Low | 59.3 | Low | 205 Ų | 205 | 68.6 Ų | 68.6 | 89% | 0.891 | 37% | 0.37 | S | S | * | . | trans | -84.6 | 116.6 | 173.6 | -77.4 | -176.6 | 178.2 | 178 | 0 | 110.2 | P704 | K702-P704 VanDerWaalsContact O-CD 3.3Å; K702-P704 WeakPolarHBondContact O-CD 3.34Å | ||
| 703 | M | 48.4 | Very low | 57.5 | Low | 73 Ų | 73 | 73.1 Ų | 73.1 | 36% | 0.36 | 40% | 0.399 | S | S | . | . | trans | -69.6 | 115.1 | 170.3 | -89.9 | -76.3 | 103.6 | 0 | 0 | 111.7 | A696 Q888 | A696-M703 HydrophobicContact CB-CE 4.28Å; A696-M703 HydrophobicContact CB-CG 4.08Å; M703-Q888 HydrophobicContact CE-CB 3.18Å; M703-Q888 HydrophobicContact CE-CG 3.17Å | ||
| 704 | P | 48.4 | Very low | 55.6 | Low | 74 Ų | 74 | 76.2 Ų | 76.2 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | trans | -70.6 | 130 | 164 | 7.2 | 6.3 | 0 | 0 | 0 | 108.7 | K702 T706 | K702-P704 VanDerWaalsContact O-CD 3.3Å; K702-P704 WeakPolarHBondContact O-CD 3.34Å; P704-T706 PolarHBondContact O-N 2.7Å; P704-T706 PolarHBondContact O-OG1 3.15Å; P704-T706 VanDerWaalsContact O-OG1 3.05Å | ||
| 705 | K | 47.1 | Very low | 53.7 | Low | 200 Ų | 200 | 79.8 Ų | 79.8 | 87% | 0.87 | 44% | 0.438 | S | S | * | . | trans | -62.2 | 86.8 | 168.7 | -78.2 | -175.4 | 176 | -175.2 | 0 | 109 | ||||
| 706 | T | 49.5 | Very low | 51.5 | Low | 29 Ų | 29 | 84.1 Ų | 84.1 | 18% | 0.178 | 47% | 0.465 | C | S | . | . | trans | -102 | 120.9 | -178.9 | -41.1 | 0 | 0 | 0 | 0 | 108.4 | R689 P704 L860 R865 | R689-T706 PolarHBondContact NH2-O 3.47Å; P704-T706 PolarHBondContact O-N 2.7Å; P704-T706 PolarHBondContact O-OG1 3.15Å; P704-T706 VanDerWaalsContact O-OG1 3.05Å; T706-L860 HydrophobicContact CG2-CD1 3.79Å; T706-R865 PolarHBondContact OG1-NH1 3.37Å; T706-R865 PolarHBondContact OG1-NH2 2.66Å | ||
| 707 | S | 54.9 | Low | 49.5 | Very low | 37 Ų | 37 | 89.7 Ų | 89.7 | 26% | 0.259 | 49% | 0.494 | S | S | . | . | trans | -87.1 | 128.1 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | Y709 Q927 | S707-Y709 WeakPolarHBondContact CB-O 3.3Å; S707-Y709 PolarHBondContact O-N 2.95Å; S707-Y709 WeakPolarHBondContact OG-CD1 3.35Å; S707-Y709 VanDerWaalsContact OG-CD2 3.31Å; S707-Y709 WeakPolarHBondContact OG-CD2 3.3Å; S707-Y709 WeakPolarHBondContact OG-CE1 3.45Å; S707-Y709 WeakPolarHBondContact OG-CE2 2.99Å; S707-Y709 PolarHBondContact OG-N 3.01Å; S707-Y709 VanDerWaalsContact OG-N 3.09Å; S707-Y709 PolarHBondContact OG-O 3.3Å; S707-Q927 PolarHBondContact O-NE2 3.29Å | ||
| 708 | M | 55.3 | Low | 47.6 | Very low | 10 Ų | 10 | 93.6 Ų | 93.6 | 5% | 0.049 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -74.7 | 0.8 | 168.1 | -73.6 | -175.7 | 81.5 | 0 | 0 | 112.3 | I892 L895 Q927 A930 | M708-I892 HydrophobicContact CE-CD1 4.04Å; M708-I892 HydrophobicContact CE-CG1 3.82Å; M708-I892 HydrophobicContact CG-CD1 3.98Å; M708-I892 HydrophobicContact SD-CD1 3.84Å; M708-I892 HydrophobicContact SD-CG1 4Å; M708-L895 HydrophobicContact CE-CD2 4.32Å; M708-Q927 VanDerWaalsContact O-CA 3.3Å; M708-Q927 WeakPolarHBondContact O-CA 3.37Å; M708-Q927 WeakPolarHBondContact O-CG 3.41Å; M708-A930 WeakPolarHBondContact O-CB 3.32Å |
| 709 | Y | 52.9 | Low | 45.6 | Very low | 74 Ų | 74 | 98.3 Ų | 98.3 | 29% | 0.29 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -120.9 | 148.7 | 176.3 | 61.9 | -91.3 | 0 | 0 | 0 | 111.2 | S707 G941 E942 | S707-Y709 WeakPolarHBondContact CB-O 3.3Å; S707-Y709 PolarHBondContact O-N 2.95Å; S707-Y709 WeakPolarHBondContact OG-CD1 3.35Å; S707-Y709 VanDerWaalsContact OG-CD2 3.31Å; S707-Y709 WeakPolarHBondContact OG-CD2 3.3Å; S707-Y709 WeakPolarHBondContact OG-CE1 3.45Å; S707-Y709 WeakPolarHBondContact OG-CE2 2.99Å; S707-Y709 PolarHBondContact OG-N 3.01Å; S707-Y709 VanDerWaalsContact OG-N 3.09Å; S707-Y709 PolarHBondContact OG-O 3.3Å; Y709-G941 WeakPolarHBondContact CD1-O 3.44Å; Y709-E942 HydrophobicContact CE1-CG 4.25Å |
| 710 | L | 52.5 | Low | 43.5 | Very low | 43 Ų | 43 | 103 Ų | 103 | 23% | 0.225 | 54% | 0.539 | C | S | . | . | trans | -73.8 | 135.2 | 169.5 | -70.5 | 167.8 | 0 | 0 | 0 | 108.6 | V712 Q927 T931 P1132 | L710-V712 PolarHBondContact O-N 2.99Å; L710-Q927 HydrophobicContact CG-CB 4.38Å; L710-T931 PolarHBondContact N-OG1 2.68Å; L710-P1132 HydrophobicContact CD1-CG 4.32Å | ||
| 711 | P | 42.6 | Very low | 41.8 | Very low | 116 Ų | 116 | 111.7 Ų | 111.7 | 75% | 0.753 | 55% | 0.552 | S | S | * | * | trans | -62.1 | 108.6 | 177.8 | -6.7 | 16 | 0 | 0 | 0 | 109.6 | ||||
| 712 | V | 40.2 | Very low | 39.9 | Very low | 70 Ų | 70 | 112.8 Ų | 112.8 | 42% | 0.424 | 57% | 0.566 | S | S | . | * | trans | -94.9 | 116.8 | 168.1 | -174.2 | 0 | 0 | 0 | 0 | 105.9 | L710 P714 T931 | L710-V712 PolarHBondContact O-N 2.99Å; V712-P714 WeakPolarHBondContact O-CD 3.5Å; V712-P714 VanDerWaalsContact O-N 3.08Å; V712-T931 HydrophobicContact CG2-CG2 3.63Å | ||
| 713 | T | 34.8 | Very low | 38.9 | Very low | 116 Ų | 116 | 110 Ų | 110 | 71% | 0.712 | 56% | 0.56 | S | S | * | * | trans | -58.8 | 114 | 161.3 | 31.7 | 0 | 0 | 0 | 0 | 106.2 | I715 | T713-I715 PolarHBondContact O-N 2.98Š| ||
| 714 | P | 30.5 | Very low | 37.7 | Very low | 100 Ų | 100 | 113.8 Ų | 113.8 | 65% | 0.649 | 58% | 0.581 | S | S | * | * | trans | -62.4 | 115.1 | 178.3 | 24.4 | -29.7 | 0 | 0 | 0 | 106.1 | V712 T716 | V712-P714 WeakPolarHBondContact O-CD 3.5Å; V712-P714 VanDerWaalsContact O-N 3.08Å; P714-T716 HydrophobicContact CB-CG2 4.09Å; P714-T716 HydrophobicContact CG-CG2 4.36Å; P714-T716 PolarHBondContact O-N 3.44Å | ||
| 715 | I | 34.4 | Very low | 36.7 | Very low | 113 Ų | 113 | 117.5 Ų | 117.5 | 58% | 0.579 | 60% | 0.596 | S | S | * | * | trans | -66.9 | 80.7 | 159.4 | -59.8 | 175.4 | 0 | 0 | 0 | 104.4 | T713 N717 Y1185 | T713-I715 PolarHBondContact O-N 2.98Å; I715-N717 VanDerWaalsContact C-N 3.31Å; I715-N717 PolarHBondContact O-N 3.3Å; I715-Y1185 WeakPolarHBondContact CG2-OH 3.27Å | ||
| 716 | T | 28.3 | Very low | 35.6 | Very low | 93 Ų | 93 | 116 Ų | 116 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | trans | -63.3 | 103.5 | 167.4 | 49.6 | 0 | 0 | 0 | 0 | 105.2 | P714 K718 | P714-T716 HydrophobicContact CB-CG2 4.09Å; P714-T716 HydrophobicContact CG-CG2 4.36Å; P714-T716 PolarHBondContact O-N 3.44Å; T716-K718 PolarHBondContact O-N 2.95Å | ||
| 717 | N | 30.2 | Very low | 34.4 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | trans | -60.7 | 88.5 | 166.1 | -109.5 | -19.3 | 0 | 0 | 0 | 107 | I715 H719 | I715-N717 VanDerWaalsContact C-N 3.31Å; I715-N717 PolarHBondContact O-N 3.3Å; N717-H719 PolarHBondContact O-N 3.49Å | ||
| 718 | K | 29.8 | Very low | 32.9 | Very low | 178 Ų | 178 | 128.5 Ų | 128.5 | 77% | 0.774 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -2.6 | 176.9 | -83 | -177.6 | 176.2 | 174.2 | 0 | 112.9 | T716 | T716-K718 PolarHBondContact O-N 2.95Š|
| 719 | H | 28.8 | Very low | 31.5 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 82% | 0.824 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 60.1 | 178 | -68 | -65.5 | 0 | 0 | 0 | 113.6 | N717 | N717-H719 PolarHBondContact O-N 3.49Š|
| 720 | R | 26.1 | Very low | 30.2 | Very low | 195 Ų | 195 | 137.7 Ų | 137.7 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | trans | -126.6 | 82.8 | 143.5 | -100.8 | -171.4 | -170.8 | -177.9 | 5.4 | 109.1 | E1059 | R720-E1059 IonicContact NH2-OE2 2.93Š| ||
| 721 | R | 29.5 | Very low | 29 | Very low | 249 Ų | 249 | 141.4 Ų | 141.4 | 94% | 0.94 | 74% | 0.738 | S | S | * | * | trans | -81 | 107.5 | 158.2 | -87.9 | -176.7 | 175.6 | 176.9 | -2.3 | 107.2 | ||||
| 722 | S | 23.3 | Very low | 28.4 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -134.5 | 95.2 | 157.1 | 52 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 723 | L | 28.7 | Very low | 28 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | 64.3 | 95.4 | 97.2 | -80.2 | 160.4 | 0 | 0 | 0 | 112.2 | |||||
| 724 | N | 24.3 | Very low | 27.5 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | 174.2 | 89.9 | 135.5 | -82.3 | -26.8 | 0 | 0 | 0 | 107 | ||||
| 725 | L | 27.6 | Very low | 27.6 | Very low | 153 Ų | 153 | 146.7 Ų | 146.7 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | 58 | 90.1 | 94 | -84.8 | 163 | 0 | 0 | 0 | 114.4 | |||||
| 726 | L | 24.3 | Very low | 27.2 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | -176.8 | 88.7 | 123.4 | -94.6 | 160.5 | 0 | 0 | 0 | 108.9 | |||||
| 727 | E | 22.9 | Very low | 27.3 | Very low | 195 Ų | 195 | 151 Ų | 151 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -87.1 | 134.6 | 162.3 | -99.9 | -179.5 | 162.8 | 0 | 0 | 109.2 | ||||
| 728 | V | 24.1 | Very low | 27.2 | Very low | 133 Ų | 133 | 153.6 Ų | 153.6 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -121.4 | 140.9 | 160.6 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 729 | P | 26 | Very low | 27 | Very low | 97 Ų | 97 | 153.6 Ų | 153.6 | 63% | 0.63 | 81% | 0.81 | S | S | * | * | trans | -105.1 | 146.3 | -147.7 | 12.3 | 7.9 | 0 | 0 | 0 | 116.7 | ||||
| 730 | H | 24.4 | Very low | 27 | Very low | 180 Ų | 180 | 151.1 Ų | 151.1 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | trans | 77.3 | 160.7 | 141.1 | -66.4 | 31.3 | 0 | 0 | 0 | 119.1 | ||||
| 731 | P | 28.4 | Very low | 27 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | cis | -133.1 | 160.5 | 3.8 | 28.5 | -5.5 | 0 | 0 | 0 | 117 | ||||
| 732 | Q | 29.4 | Very low | 26.8 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -76.6 | 161.3 | 160.6 | -57.9 | -174.4 | -25.5 | 0 | 0 | 111 | ||||
| 733 | P | 32.3 | Very low | 27.1 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | -144.9 | 140.1 | 80.1 | 33.3 | -13.3 | 0 | 0 | 0 | 114 | |||||
| 734 | G | 23.7 | Very low | 27.1 | Very low | 65 Ų | 65 | 149.3 Ų | 149.3 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | 146.5 | 163.2 | 92.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 735 | P | 33.8 | Very low | 27.4 | Very low | 131 Ų | 131 | 150.1 Ų | 150.1 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -102.7 | 123.7 | -151.2 | 34.7 | -25.9 | 0 | 0 | 0 | 112.8 | ||||
| 736 | Q | 26 | Very low | 27.6 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -138.1 | 122.5 | 154 | -75.7 | -168.4 | -13 | 0 | 0 | 110 | K738 | Q736-K738 PolarHBondContact O-N 2.88Š| ||
| 737 | A | 30.6 | Very low | 28 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 125 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 738 | K | 27.8 | Very low | 28.7 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 130.7 | 165.2 | -81.1 | -171.7 | 169.6 | -167.6 | 0 | 109.9 | Q736 E741 | Q736-K738 PolarHBondContact O-N 2.88Å; K738-E741 IonicContact NZ-OE1 3.87Å; K738-E741 PolarHBondContact NZ-OE1 3.3Å; K738-E741 VanDerWaalsContact NZ-OE1 3.13Å |
| 739 | Q | 25.3 | Very low | 29.5 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 161.4 | 163.9 | -78 | -177.2 | -5.1 | 0 | 0 | 111.2 | E741 | Q739-E741 PolarHBondContact O-N 2.9Š|
| 740 | P | 28.3 | Very low | 30.7 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 121.7 | -180 | 24.2 | -29.6 | 0 | 0 | 0 | 110.9 | Q742 | P740-Q742 PolarHBondContact O-N 3.04Š|
| 741 | E | 26.8 | Very low | 32.3 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 123.9 | 177.6 | -73.5 | 178.9 | 172.4 | 0 | 0 | 110.2 | K738 Q739 | K738-E741 IonicContact NZ-OE1 3.87Å; K738-E741 PolarHBondContact NZ-OE1 3.3Å; K738-E741 VanDerWaalsContact NZ-OE1 3.13Å; Q739-E741 PolarHBondContact O-N 2.9Å |
| 742 | Q | 24.2 | Very low | 34 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 143.5 | 161.1 | -73.4 | 177.1 | -14.5 | 0 | 0 | 109.2 | P740 K744 | P740-Q742 PolarHBondContact O-N 3.04Å; Q742-K744 PolarHBondContact O-N 3.28Å |
| 743 | P | 30.1 | Very low | 36 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126 | 175.5 | 27.2 | -31.4 | 0 | 0 | 0 | 109.9 | ||
| 744 | K | 29.6 | Very low | 38 | Very low | 211 Ų | 211 | 119.4 Ų | 119.4 | 92% | 0.917 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 134.8 | 178.8 | -79.5 | 176.6 | 175.1 | 178.1 | 0 | 111.4 | Q742 | Q742-K744 PolarHBondContact O-N 3.28Š|
| 745 | L | 29.8 | Very low | 40.5 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 87% | 0.874 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 119.3 | 169.1 | -134.1 | 85.1 | 0 | 0 | 0 | 107.9 | S747 | L745-S747 PolarHBondContact O-N 3.06Š|
| 746 | C | 31.6 | Very low | 42.6 | Very low | 87 Ų | 87 | 120.5 Ų | 120.5 | 59% | 0.588 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 131 | 170.2 | -81.7 | 0 | 0 | 0 | 0 | 110 | E750 | C746-E750 PolarHBondContact SG-OE2 3.08Š|
| 747 | S | 33.9 | Very low | 44.7 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 51% | 0.51 | 63% | 0.63 | S | S | . | * | trans | -112.5 | 163.3 | 177.3 | 79.3 | 0 | 0 | 0 | 0 | 110.6 | L745 S749 | L745-S747 PolarHBondContact O-N 3.06Å; S747-S749 PolarHBondContact O-N 3.17Å | ||
| 748 | I | 35.8 | Very low | 46.5 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 68% | 0.677 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.1 | -5.7 | -174.5 | -67.9 | 162.4 | 0 | 0 | 0 | 116 | ||
| 749 | S | 42.5 | Very low | 48.3 | Very low | 93 Ų | 93 | 113.7 Ų | 113.7 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -1.1 | -171.2 | -54.3 | 0 | 0 | 0 | 0 | 116 | S747 | S747-S749 PolarHBondContact O-N 3.17Š|
| 750 | E | 51.3 | Low | 50.7 | Low | 92 Ų | 92 | 109.6 Ų | 109.6 | 43% | 0.43 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -102.2 | -29.3 | -165.8 | -74.6 | 171.2 | 168.1 | 0 | 0 | 116.3 | H686 C746 H752 | H686-E750 PolarHBondContact CE1-O 3.44Å; H686-E750 VanDerWaalsContact CE1-O 3.23Å; C746-E750 PolarHBondContact SG-OE2 3.08Å; E750-H752 PolarHBondContact O-N 3.2Å |
| 751 | L | 57.4 | Low | 53.1 | Low | 22 Ų | 22 | 105 Ų | 105 | 12% | 0.115 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -82.9 | 97.4 | 169 | -86.9 | 140.9 | 0 | 0 | 0 | 108.7 | F682 I691 F694 L753 | F682-L751 HydrophobicContact CD1-CD2 3.82Å; F682-L751 HydrophobicContact CE1-CD2 4Å; I691-L751 HydrophobicContact CG1-CD2 4.1Å; F694-L751 HydrophobicContact CB-CD1 3.35Å; F694-L751 HydrophobicContact CD1-CB 4.47Å; F694-L751 HydrophobicContact CD1-CD1 3.44Å; F694-L751 VanDerWaalsContact CD1-CD1 3.44Å; F694-L751 HydrophobicContact CD1-CG 4.49Å; F694-L751 HydrophobicContact CD2-CD1 3.86Å; F694-L751 HydrophobicContact CE1-CB 4.38Å; F694-L751 HydrophobicContact CE1-CD1 4.17Å; F694-L751 HydrophobicContact CG-CD1 3.27Å; L751-L753 PolarHBondContact O-N 3.25Å |
| 752 | H | 63.2 | Low | 55.8 | Low | 175 Ų | 175 | 100.1 Ų | 100.1 | 81% | 0.81 | 54% | 0.537 | S | S | * | . | trans | -64.4 | 57.6 | -179.2 | -71.3 | -82.8 | 0 | 0 | 0 | 113.8 | E750 | E750-H752 PolarHBondContact O-N 3.2Š| ||
| 753 | L | 71.8 | Confident | 58.5 | Low | 22 Ų | 22 | 93.5 Ų | 93.5 | 12% | 0.115 | 51% | 0.506 | C | S | . | . | trans | -64.7 | 140.1 | 176.8 | -68.9 | 171.2 | 0 | 0 | 0 | 110.7 | F682 F694 L751 R755 T761 I785 | F682-L753 HydrophobicContact CE1-CD2 4.36Å; F694-L753 HydrophobicContact CE1-CD1 3.93Å; F694-L753 HydrophobicContact CZ-CD1 4.42Å; L751-L753 PolarHBondContact O-N 3.25Å; L753-R755 PolarHBondContact O-N 3.23Å; L753-T761 HydrophobicContact CB-CG2 4.47Å; L753-I785 HydrophobicContact CD2-CD1 4Å | ||
| 754 | P | 75.1 | Confident | 60.9 | Low | 24 Ų | 24 | 91.5 Ų | 91.5 | 16% | 0.156 | 50% | 0.498 | C | S | . | . | trans | -54.5 | 135.4 | 174.4 | -24.5 | 33.9 | 0 | 0 | 0 | 110.8 | T761 D762 A765 | P754-T761 CarbonylContact O-C 3.48Å; P754-T761 WeakPolarHBondContact O-CA 3.33Å; P754-D762 HydrophobicContact CB-CB 4.07Å; P754-D762 PolarHBondContact O-N 3.18Å; P754-A765 HydrophobicContact CB-CB 3.62Å; P754-A765 HydrophobicContact CG-CB 4.13Å | ||
| 755 | R | 76 | Confident | 63.4 | Low | 163 Ų | 163 | 82.7 Ų | 82.7 | 62% | 0.615 | 47% | 0.465 | S | S | * | . | B | Isolated β-bridge | trans | -119.9 | 138.8 | 177.7 | -63.4 | -170.6 | -175.2 | -153 | 4.3 | 111.5 | L753 N760 | L753-R755 PolarHBondContact O-N 3.23Å; R755-N760 CarbonylContact C-O 3.53Å; R755-N760 WeakPolarHBondContact CA-O 3.41Å |
| 756 | D | 77.4 | Confident | 65.9 | Low | 55 Ų | 55 | 74.8 Ų | 74.8 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | trans | -75.8 | 176.9 | 174.7 | 70.7 | 12 | 0 | 0 | 0 | 111.2 | Q758 G759 N760 D762 | D756-Q758 PolarHBondContact O-N 3.08Å; D756-Q758 VanDerWaalsContact OD1-CA 3.31Å; D756-Q758 WeakPolarHBondContact OD1-CA 3.4Å; D756-Q758 WeakPolarHBondContact OD1-CB 3.48Å; D756-Q758 PolarHBondContact OD1-N 3.19Å; D756-G759 PolarHBondContact O-N 3.07Å; D756-G759 PolarHBondContact OD1-N 3.4Å; D756-N760 PolarHBondContact N-O 2.93Å; D756-N760 PolarHBondContact OD1-N 3.18Å; D756-D762 HydrophobicContact CB-CB 4.23Å | ||
| 757 | S | 70 | Confident | 68.4 | Low | 132 Ų | 132 | 71.1 Ų | 71.1 | 92% | 0.923 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.9 | 178.6 | 54 | 0 | 0 | 0 | 0 | 114.3 | ||
| 758 | Q | 68.1 | Low | 70.6 | Confident | 158 Ų | 158 | 71.9 Ų | 71.9 | 74% | 0.738 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -2 | 176.4 | -57.4 | -171.4 | 0.4 | 0 | 0 | 112.7 | D756 | D756-Q758 PolarHBondContact O-N 3.08Å; D756-Q758 VanDerWaalsContact OD1-CA 3.31Å; D756-Q758 WeakPolarHBondContact OD1-CA 3.4Å; D756-Q758 WeakPolarHBondContact OD1-CB 3.48Å; D756-Q758 PolarHBondContact OD1-N 3.19Å |
| 759 | G | 66.9 | Low | 72.8 | Confident | 37 Ų | 37 | 68 Ų | 68 | 38% | 0.381 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 83.5 | 7.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D756 | D756-G759 PolarHBondContact O-N 3.07Å; D756-G759 PolarHBondContact OD1-N 3.4Å |
| 760 | N | 74 | Confident | 74.7 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -86.1 | 163.2 | 173 | -59 | -50.9 | 0 | 0 | 0 | 110.5 | R755 D756 D762 | R755-N760 CarbonylContact C-O 3.53Å; R755-N760 WeakPolarHBondContact CA-O 3.41Å; D756-N760 PolarHBondContact N-O 2.93Å; D756-N760 PolarHBondContact OD1-N 3.18Å; N760-D762 PolarHBondContact O-N 2.83Å |
| 761 | T | 79.3 | Confident | 75.9 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 18% | 0.184 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -61.6 | 122.8 | 176.2 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | L753 P754 F763 | L753-T761 HydrophobicContact CB-CG2 4.47Å; P754-T761 CarbonylContact O-C 3.48Å; P754-T761 WeakPolarHBondContact O-CA 3.33Å; T761-F763 HydrophobicContact CG2-CD1 4.45Å; T761-F763 HydrophobicContact CG2-CE1 4.19Å; T761-F763 HydrophobicContact CG2-CZ 4.36Å; T761-F763 VanDerWaalsContact O-CD2 3.26Å; T761-F763 WeakPolarHBondContact O-CD2 3.43Å; T761-F763 WeakPolarHBondContact O-CE2 3.32Å; T761-F763 PolarHBondContact O-N 2.94Å |
| 762 | D | 83.3 | Confident | 76.9 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | trans | -81.9 | 93.4 | 175.6 | -175.1 | -11.9 | 0 | 0 | 0 | 110.1 | P754 D756 N760 A764 A765 L766 | P754-D762 HydrophobicContact CB-CB 4.07Å; P754-D762 PolarHBondContact O-N 3.18Å; D756-D762 HydrophobicContact CB-CB 4.23Å; N760-D762 PolarHBondContact O-N 2.83Å; D762-A764 VanDerWaalsContact C-N 3.27Å; D762-A764 PolarHBondContact O-N 3.4Å; D762-A764 WeakPolarHBondContact OD1-CB 3.5Å; D762-A764 PolarHBondContact OD1-N 2.93Å; D762-A765 HydrophobicContact CB-CB 3.94Å; D762-A765 VanDerWaalsContact CG-CB 3.45Å; D762-A765 PolarHBondContact O-N 2.81Å; D762-A765 PolarHBondContact OD1-N 2.75Å; D762-A765 WeakPolarHBondContact OD2-CB 3.46Å; D762-L766 PolarHBondContact O-N 3.15Å | ||
| 763 | F | 82.5 | Confident | 77.7 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 17% | 0.171 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.8 | -27.7 | 178.9 | -60.9 | -77.3 | 0 | 0 | 0 | 113 | T761 L766 V767 L786 M789 K790 W794 | T761-F763 HydrophobicContact CG2-CD1 4.45Å; T761-F763 HydrophobicContact CG2-CE1 4.19Å; T761-F763 HydrophobicContact CG2-CZ 4.36Å; T761-F763 VanDerWaalsContact O-CD2 3.26Å; T761-F763 WeakPolarHBondContact O-CD2 3.43Å; T761-F763 WeakPolarHBondContact O-CE2 3.32Å; T761-F763 PolarHBondContact O-N 2.94Å; F763-L766 PolarHBondContact O-N 2.83Å; F763-V767 WeakPolarHBondContact O-CB 3.23Å; F763-V767 VanDerWaalsContact O-CG2 3.28Å; F763-V767 WeakPolarHBondContact O-CG2 3.09Å; F763-V767 PolarHBondContact O-N 3.4Å; F763-L786 HydrophobicContact CD1-CD2 3.86Å; F763-M789 HydrophobicContact CE1-CB 3.88Å; F763-M789 HydrophobicContact CE1-CE 4.1Å; F763-M789 HydrophobicContact CE1-SD 3.86Å; F763-M789 HydrophobicContact CZ-CB 4.21Å; F763-M789 HydrophobicContact CZ-CE 3.74Å; F763-M789 HydrophobicContact CZ-SD 4.15Å; F763-K790 HydrophobicContact CD1-CG 4.2Å; F763-K790 HydrophobicContact CE1-CD 4.37Å; F763-K790 HydrophobicContact CE1-CG 4.1Å; F763-K790 VanDerWaalsContact CE2-NZ 3.34Å; F763-K790 HydrophobicContact CZ-CD 4.35Å; F763-K790 VanDerWaalsContact CZ-CE 3.45Å; F763-W794 HydrophobicContact CB-CH2 4.43Å |
| 764 | A | 80.5 | Confident | 77.9 | Confident | 65 Ų | 65 | 59.6 Ų | 59.6 | 54% | 0.537 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.5 | -39.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D762 V767 N768 | D762-A764 VanDerWaalsContact C-N 3.27Å; D762-A764 PolarHBondContact O-N 3.4Å; D762-A764 WeakPolarHBondContact OD1-CB 3.5Å; D762-A764 PolarHBondContact OD1-N 2.93Å; A764-V767 PolarHBondContact O-N 3.43Å; A764-N768 PolarHBondContact O-N 3.4Å; A764-N768 PolarHBondContact O-ND2 3.42Å; A764-N768 VanDerWaalsContact O-ND2 3.11Å |
| 765 | A | 80.6 | Confident | 78.2 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P754 D762 N768 Q769 | P754-A765 HydrophobicContact CB-CB 3.62Å; P754-A765 HydrophobicContact CG-CB 4.13Å; D762-A765 HydrophobicContact CB-CB 3.94Å; D762-A765 VanDerWaalsContact CG-CB 3.45Å; D762-A765 PolarHBondContact O-N 2.81Å; D762-A765 PolarHBondContact OD1-N 2.75Å; D762-A765 WeakPolarHBondContact OD2-CB 3.46Å; A765-N768 PolarHBondContact O-N 3.21Å; A765-Q769 WeakPolarHBondContact O-CG 3.3Å; A765-Q769 PolarHBondContact O-N 3.07Å |
| 766 | L | 82.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -40 | 177.1 | -169.6 | 66.9 | 0 | 0 | 0 | 112.5 | D762 F763 Q769 I770 I782 I785 L786 | D762-L766 PolarHBondContact O-N 3.15Å; F763-L766 PolarHBondContact O-N 2.83Å; L766-Q769 WeakPolarHBondContact O-CB 3.41Å; L766-Q769 PolarHBondContact O-N 2.91Å; L766-I770 PolarHBondContact O-N 2.98Å; L766-I782 HydrophobicContact CD1-CG1 4.04Å; L766-I782 HydrophobicContact CD1-CG2 3.97Å; L766-I782 HydrophobicContact CD2-CG2 4.32Å; L766-I782 HydrophobicContact CG-CG2 3.74Å; L766-I785 HydrophobicContact CD2-CB 4.47Å; L766-I785 HydrophobicContact CD2-CG2 3.93Å; L766-L786 HydrophobicContact CD2-CD2 3.83Å; L766-L786 HydrophobicContact CD2-CG 4.08Å |
| 767 | V | 84 | Confident | 79 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66 | -38 | 173.6 | 167.6 | 0 | 0 | 0 | 0 | 111.7 | F763 A764 Q769 I770 L786 W794 V796 L798 | F763-V767 WeakPolarHBondContact O-CB 3.23Å; F763-V767 VanDerWaalsContact O-CG2 3.28Å; F763-V767 WeakPolarHBondContact O-CG2 3.09Å; F763-V767 PolarHBondContact O-N 3.4Å; A764-V767 PolarHBondContact O-N 3.43Å; V767-Q769 VanDerWaalsContact C-N 3.27Å; V767-Q769 PolarHBondContact O-N 3.4Å; V767-I770 WeakPolarHBondContact O-CB 3.3Å; V767-I770 PolarHBondContact O-N 3.48Å; V767-L786 HydrophobicContact CG2-CD1 4.09Å; V767-W794 HydrophobicContact CG2-CH2 3.82Å; V767-W794 HydrophobicContact CG2-CZ3 3.78Å; V767-V796 HydrophobicContact CB-CG1 4.28Å; V767-V796 HydrophobicContact CG1-CG1 3.46Å; V767-V796 VanDerWaalsContact CG1-CG1 3.46Å; V767-V796 HydrophobicContact CG2-CG1 3.78Å; V767-L798 HydrophobicContact CG1-CD2 4.17Å |
| 768 | N | 80.8 | Confident | 79.7 | Confident | 88 Ų | 88 | 46.3 Ų | 46.3 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64 | -33.9 | 174.3 | -75.2 | -38.5 | 0 | 0 | 0 | 112 | A764 A765 I770 K771 | A764-N768 PolarHBondContact O-N 3.4Å; A764-N768 PolarHBondContact O-ND2 3.42Å; A764-N768 VanDerWaalsContact O-ND2 3.11Å; A765-N768 PolarHBondContact O-N 3.21Å; N768-I770 PolarHBondContact O-N 3.1Å; N768-K771 WeakPolarHBondContact O-CB 3.46Å; N768-K771 PolarHBondContact O-N 2.83Å; N768-K771 VanDerWaalsContact O-N 3.1Å |
| 769 | Q | 82.1 | Confident | 80.6 | Confident | 52 Ų | 52 | 38.8 Ų | 38.8 | 24% | 0.243 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -25.7 | 175.7 | -73.1 | 175 | -12.2 | 0 | 0 | 113.4 | I681 A765 L766 V767 K771 E772 C773 I782 | I681-Q769 HydrophobicContact CD1-CB 4.31Å; A765-Q769 WeakPolarHBondContact O-CG 3.3Å; A765-Q769 PolarHBondContact O-N 3.07Å; L766-Q769 WeakPolarHBondContact O-CB 3.41Å; L766-Q769 PolarHBondContact O-N 2.91Å; V767-Q769 VanDerWaalsContact C-N 3.27Å; V767-Q769 PolarHBondContact O-N 3.4Å; Q769-K771 PolarHBondContact O-N 2.83Å; Q769-E772 PolarHBondContact O-N 3.05Å; Q769-C773 PolarHBondContact O-N 2.88Å; Q769-C773 PolarHBondContact O-SG 3.32Å; Q769-I782 HydrophobicContact CB-CD1 4.02Å |
| 770 | I | 82.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.3 | -32 | 173.3 | -63.9 | 169.8 | 0 | 0 | 0 | 111.2 | L671 P672 L766 V767 N768 E772 Q779 I782 L783 L786 L798 | L671-I770 HydrophobicContact CD2-CG2 3.98Å; P672-I770 HydrophobicContact CG-CG2 4.26Å; L766-I770 PolarHBondContact O-N 2.98Å; V767-I770 WeakPolarHBondContact O-CB 3.3Å; V767-I770 PolarHBondContact O-N 3.48Å; N768-I770 PolarHBondContact O-N 3.1Å; I770-E772 VanDerWaalsContact C-N 3.3Å; I770-E772 PolarHBondContact O-N 3.42Å; I770-Q779 PolarHBondContact O-NE2 3.27Å; I770-I782 HydrophobicContact CD1-CG2 3.94Å; I770-I782 HydrophobicContact CG1-CB 4.36Å; I770-I782 HydrophobicContact CG1-CG2 3.58Å; I770-L783 HydrophobicContact CD1-CD2 3.91Å; I770-L786 HydrophobicContact CD1-CD1 4.04Å; I770-L798 HydrophobicContact CB-CD2 4.35Å; I770-L798 HydrophobicContact CG2-CD2 4.19Å |
| 771 | K | 76.4 | Confident | 82.2 | Confident | 69 Ų | 69 | 33 Ų | 33 | 30% | 0.3 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -18.3 | 179.5 | -59.3 | 176.2 | 178.7 | 175.6 | 0 | 113.9 | P672 Q675 N768 Q769 L798 | P672-K771 HydrophobicContact CG-CB 4.44Å; P672-K771 HydrophobicContact CG-CG 4.25Å; Q675-K771 PolarHBondContact NE2-O 3Å; Q675-K771 VanDerWaalsContact NE2-O 3.1Å; N768-K771 WeakPolarHBondContact O-CB 3.46Å; N768-K771 PolarHBondContact O-N 2.83Å; N768-K771 VanDerWaalsContact O-N 3.1Å; Q769-K771 PolarHBondContact O-N 2.83Å; K771-L798 WeakPolarHBondContact CE-O 3.36Å; K771-L798 PolarHBondContact NZ-O 3.32Å |
| 772 | E | 78.1 | Confident | 82.6 | Confident | 139 Ų | 139 | 31.6 Ų | 31.6 | 65% | 0.65 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 9.9 | -174.6 | -60.4 | -174.8 | 171.2 | 0 | 0 | 112.3 | Q769 I770 | Q769-E772 PolarHBondContact O-N 3.05Å; I770-E772 VanDerWaalsContact C-N 3.3Å; I770-E772 PolarHBondContact O-N 3.42Å |
| 773 | C | 79.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | trans | -65.4 | 132.3 | -178.2 | -72.2 | 0 | 0 | 0 | 0 | 112.8 | Q675 I681 Q769 D778 Q779 | Q675-C773 PolarHBondContact N-O 2.98Å; I681-C773 HydrophobicContact CD1-CB 4.17Å; I681-C773 WeakPolarHBondContact CD1-SG 3.31Å; Q769-C773 PolarHBondContact O-N 2.88Å; Q769-C773 PolarHBondContact O-SG 3.32Å; C773-D778 HydrophobicContact CB-CB 4.25Å; C773-Q779 HydrophobicContact CB-CG 3.4Å; C773-Q779 VanDerWaalsContact CB-CG 3.4Å; C773-Q779 VanDerWaalsContact SG-CG 3.57Å | ||
| 774 | P | 76.7 | Confident | 83.1 | Confident | 18 Ų | 18 | 28 Ų | 28 | 12% | 0.117 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -88.1 | -15 | 178.4 | 35.2 | -35.1 | 0 | 0 | 0 | 114 | I674 Q675 D778 | I674-P774 WeakPolarHBondContact CG2-O 3.49Å; Q675-P774 WeakPolarHBondContact O-CA 3.1Å; P774-D778 WeakPolarHBondContact CD-OD2 3.49Å; P774-D778 VanDerWaalsContact CG-OD2 3.25Å; P774-D778 WeakPolarHBondContact CG-OD2 3.3Å |
| 775 | T | 82.6 | Confident | 83.4 | Confident | 28 Ų | 28 | 25 Ų | 25 | 17% | 0.172 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -140.6 | 160.2 | 177.8 | 72.3 | 0 | 0 | 0 | 0 | 112.2 | Q777 D778 Q779 | T775-Q777 PolarHBondContact O-N 3.32Å; T775-Q777 PolarHBondContact OG1-N 3.05Å; T775-D778 PolarHBondContact N-OD2 3.43Å; T775-D778 PolarHBondContact O-N 3.16Å; T775-D778 VanDerWaalsContact OG1-CG 3.32Å; T775-D778 PolarHBondContact OG1-N 3.48Å; T775-D778 VanDerWaalsContact OG1-N 3.13Å; T775-D778 PolarHBondContact OG1-OD2 2.72Å; T775-Q779 PolarHBondContact O-N 3.43Å |
| 776 | L | 85.4 | Confident | 83.7 | Confident | 7 Ų | 7 | 23.7 Ų | 23.7 | 4% | 0.037 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.2 | -31 | 171.7 | -63.6 | 177.5 | 0 | 0 | 0 | 111.7 | I674 Q779 A780 L815 Q818 C822 L827 | I674-L776 HydrophobicContact CD1-CD2 3.54Å; I674-L776 HydrophobicContact CD1-CG 3.62Å; I674-L776 HydrophobicContact CG1-CD2 4.07Å; L776-Q779 PolarHBondContact O-N 3.02Å; L776-A780 PolarHBondContact O-N 3.46Å; L776-L815 HydrophobicContact CB-CD1 4.27Å; L776-L815 HydrophobicContact CD2-CD1 3.66Å; L776-Q818 HydrophobicContact CD2-CB 4.36Å; L776-C822 HydrophobicContact CD1-CB 4.36Å; L776-L827 HydrophobicContact CB-CD2 3.48Å; L776-L827 VanDerWaalsContact CB-CD2 3.48Å |
| 777 | Q | 84.8 | Confident | 84.1 | Confident | 52 Ų | 52 | 26.8 Ų | 26.8 | 24% | 0.243 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62 | -45.6 | 175.8 | -176.1 | 64.7 | 54.4 | 0 | 0 | 111.2 | T688 T775 Q779 A780 D781 | T688-Q777 PolarHBondContact OG1-NE2 2.92Å; T688-Q777 VanDerWaalsContact OG1-NE2 3.14Å; T775-Q777 PolarHBondContact O-N 3.32Å; T775-Q777 PolarHBondContact OG1-N 3.05Å; Q777-Q779 VanDerWaalsContact C-N 3.31Å; Q777-Q779 PolarHBondContact O-N 2.94Å; Q777-A780 PolarHBondContact O-N 2.96Å; Q777-A780 VanDerWaalsContact O-N 3.17Å; Q777-D781 PolarHBondContact NE2-OD1 3.07Å; Q777-D781 VanDerWaalsContact NE2-OD1 3.12Å; Q777-D781 PolarHBondContact NE2-OD2 3.43Å; Q777-D781 VanDerWaalsContact NE2-OD2 3.15Å; Q777-D781 VanDerWaalsContact O-CG 3.32Å; Q777-D781 PolarHBondContact O-N 2.76Å |
| 778 | D | 82.9 | Confident | 84.1 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 177.1 | -66 | -68.1 | 0 | 0 | 0 | 111.6 | H680 I681 C773 P774 T775 D781 I782 | H680-D778 IonicContact ND1-OD1 3.5Å; H680-D778 IonicContact ND1-OD2 2.94Å; H680-D778 PolarHBondContact ND1-OD2 3Å; I681-D778 HydrophobicContact CD1-CB 4.37Å; I681-D778 PolarHBondContact N-OD1 3.23Å; C773-D778 HydrophobicContact CB-CB 4.25Å; P774-D778 WeakPolarHBondContact CD-OD2 3.49Å; P774-D778 VanDerWaalsContact CG-OD2 3.25Å; P774-D778 WeakPolarHBondContact CG-OD2 3.3Å; T775-D778 PolarHBondContact N-OD2 3.43Å; T775-D778 PolarHBondContact O-N 3.16Å; T775-D778 VanDerWaalsContact OG1-CG 3.32Å; T775-D778 PolarHBondContact OG1-N 3.48Å; T775-D778 VanDerWaalsContact OG1-N 3.13Å; T775-D778 PolarHBondContact OG1-OD2 2.72Å; D778-D781 PolarHBondContact O-N 2.94Å; D778-I782 WeakPolarHBondContact O-CG1 3.31Å; D778-I782 PolarHBondContact O-N 3.1Å; D778-I782 VanDerWaalsContact O-N 3.11Å |
| 779 | Q | 88.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.4 | -70 | -176.4 | -28.6 | 0 | 0 | 111.5 | P672 I770 C773 T775 L776 Q777 I782 L783 L815 | P672-Q779 PolarHBondContact O-NE2 3.34Å; I770-Q779 PolarHBondContact O-NE2 3.27Å; C773-Q779 HydrophobicContact CB-CG 3.4Å; C773-Q779 VanDerWaalsContact CB-CG 3.4Å; C773-Q779 VanDerWaalsContact SG-CG 3.57Å; T775-Q779 PolarHBondContact O-N 3.43Å; L776-Q779 PolarHBondContact O-N 3.02Å; Q777-Q779 VanDerWaalsContact C-N 3.31Å; Q777-Q779 PolarHBondContact O-N 2.94Å; Q779-I782 PolarHBondContact O-N 2.81Å; Q779-L783 WeakPolarHBondContact O-CB 3.38Å; Q779-L783 VanDerWaalsContact O-CG 3.27Å; Q779-L783 WeakPolarHBondContact O-CG 2.99Å; Q779-L783 PolarHBondContact O-N 2.91Å; Q779-L815 HydrophobicContact CB-CD1 4.16Å; Q779-L815 HydrophobicContact CB-CD2 4.16Å |
| 780 | A | 88.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L776 Q777 L783 Y784 L815 L827 Y830 I831 | L776-A780 PolarHBondContact O-N 3.46Å; Q777-A780 PolarHBondContact O-N 2.96Å; Q777-A780 VanDerWaalsContact O-N 3.17Å; A780-L783 PolarHBondContact O-N 2.98Å; A780-Y784 VanDerWaalsContact O-CB 3.29Å; A780-Y784 WeakPolarHBondContact O-CB 3.37Å; A780-Y784 PolarHBondContact O-N 3.42Å; A780-L815 VanDerWaalsContact CA-CD2 3.49Å; A780-L815 HydrophobicContact CB-CD2 3.6Å; A780-L827 HydrophobicContact CB-CD1 3.56Å; A780-Y830 HydrophobicContact CB-CD1 4.38Å; A780-Y830 HydrophobicContact CB-CE1 4.31Å; A780-I831 HydrophobicContact CB-CD1 4.45Å; A780-I831 HydrophobicContact CB-CG1 4.24Å |
| 781 | D | 86.4 | Confident | 84.7 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.4 | -40.8 | -179.7 | -71.2 | -29.2 | 0 | 0 | 0 | 111.6 | F682 I691 Q777 D778 Y784 I785 Y830 | F682-D781 HydrophobicContact CD2-CB 4.27Å; F682-D781 HydrophobicContact CE2-CB 3.8Å; I691-D781 HydrophobicContact CD1-CB 3.74Å; Q777-D781 PolarHBondContact NE2-OD1 3.07Å; Q777-D781 VanDerWaalsContact NE2-OD1 3.12Å; Q777-D781 PolarHBondContact NE2-OD2 3.43Å; Q777-D781 VanDerWaalsContact NE2-OD2 3.15Å; Q777-D781 VanDerWaalsContact O-CG 3.32Å; Q777-D781 PolarHBondContact O-N 2.76Å; D778-D781 PolarHBondContact O-N 2.94Å; D781-Y784 PolarHBondContact O-N 3.5Å; D781-I785 WeakPolarHBondContact O-CD1 3.44Å; D781-I785 VanDerWaalsContact O-CG1 3.29Å; D781-I785 WeakPolarHBondContact O-CG1 3.42Å; D781-I785 PolarHBondContact O-N 3.3Å; D781-Y830 WeakPolarHBondContact OD1-CE1 3.11Å |
| 782 | I | 86.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 172.9 | -70.4 | 167 | 0 | 0 | 0 | 111.3 | I681 F682 L766 Q769 I770 D778 Q779 Y784 I785 L786 | I681-I782 HydrophobicContact CD1-CD1 3.85Å; I681-I782 HydrophobicContact CG2-CD1 4.39Å; F682-I782 HydrophobicContact CE2-CG1 4.17Å; F682-I782 HydrophobicContact CZ-CG1 4.28Å; L766-I782 HydrophobicContact CD1-CG1 4.04Å; L766-I782 HydrophobicContact CD1-CG2 3.97Å; L766-I782 HydrophobicContact CD2-CG2 4.32Å; L766-I782 HydrophobicContact CG-CG2 3.74Å; Q769-I782 HydrophobicContact CB-CD1 4.02Å; I770-I782 HydrophobicContact CD1-CG2 3.94Å; I770-I782 HydrophobicContact CG1-CB 4.36Å; I770-I782 HydrophobicContact CG1-CG2 3.58Å; D778-I782 WeakPolarHBondContact O-CG1 3.31Å; D778-I782 PolarHBondContact O-N 3.1Å; D778-I782 VanDerWaalsContact O-N 3.11Å; Q779-I782 PolarHBondContact O-N 2.81Å; I782-Y784 VanDerWaalsContact C-N 3.27Å; I782-Y784 PolarHBondContact O-N 3.48Å; I782-I785 PolarHBondContact O-N 3.44Å; I782-L786 HydrophobicContact CG2-CD1 4.2Å; I782-L786 WeakPolarHBondContact O-CG 3.38Å; I782-L786 PolarHBondContact O-N 2.71Å |
| 783 | L | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.1 | -33.6 | 179.1 | -70.3 | 174.5 | 0 | 0 | 0 | 111.8 | I770 Q779 A780 L786 Y787 V808 L811 L812 L815 | I770-L783 HydrophobicContact CD1-CD2 3.91Å; Q779-L783 WeakPolarHBondContact O-CB 3.38Å; Q779-L783 VanDerWaalsContact O-CG 3.27Å; Q779-L783 WeakPolarHBondContact O-CG 2.99Å; Q779-L783 PolarHBondContact O-N 2.91Å; A780-L783 PolarHBondContact O-N 2.98Å; L783-L786 HydrophobicContact CD2-CD1 4.33Å; L783-L786 PolarHBondContact O-N 3.43Å; L783-Y787 VanDerWaalsContact O-CB 3.26Å; L783-Y787 WeakPolarHBondContact O-CB 3.42Å; L783-Y787 PolarHBondContact O-N 3.22Å; L783-V808 HydrophobicContact CD2-CG1 4.43Å; L783-L811 HydrophobicContact CD1-CB 4.02Å; L783-L811 HydrophobicContact CD2-CB 4Å; L783-L811 HydrophobicContact CD2-CD1 3.89Å; L783-L812 HydrophobicContact CB-CD2 3.68Å; L783-L812 HydrophobicContact CB-CG 4.09Å; L783-L812 HydrophobicContact CD1-CD2 4.03Å; L783-L812 HydrophobicContact CD1-CG 4.25Å; L783-L815 HydrophobicContact CD1-CD2 4.08Å |
| 784 | Y | 87.6 | Confident | 86.3 | Confident | 16 Ų | 16 | 29.5 Ų | 29.5 | 6% | 0.063 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 173 | 178.1 | -115.3 | 0 | 0 | 0 | 111.8 | I691 L692 M695 A780 D781 I782 L786 Y787 V788 Y830 I834 I890 | I691-Y784 HydrophobicContact CG2-CD1 4.23Å; L692-Y784 HydrophobicContact CD2-CD1 4.47Å; L692-Y784 HydrophobicContact CD2-CE1 3.59Å; L692-Y784 HydrophobicContact CD2-CE2 4.2Å; L692-Y784 VanDerWaalsContact CD2-CZ 3.43Å; L692-Y784 VanDerWaalsContact CD2-OH 3.3Å; L692-Y784 WeakPolarHBondContact CD2-OH 3.43Å; L692-Y784 HydrophobicContact CG-CE1 4.37Å; M695-Y784 HydrophobicContact CB-CE1 3.99Å; M695-Y784 HydrophobicContact CG-CD1 4.32Å; M695-Y784 HydrophobicContact CG-CE1 3.83Å; A780-Y784 VanDerWaalsContact O-CB 3.29Å; A780-Y784 WeakPolarHBondContact O-CB 3.37Å; A780-Y784 PolarHBondContact O-N 3.42Å; D781-Y784 PolarHBondContact O-N 3.5Å; I782-Y784 VanDerWaalsContact C-N 3.27Å; I782-Y784 PolarHBondContact O-N 3.48Å; Y784-L786 VanDerWaalsContact C-N 3.33Å; Y784-L786 PolarHBondContact O-N 2.92Å; Y784-Y787 WeakPolarHBondContact O-CB 3.18Å; Y784-Y787 PolarHBondContact O-N 3.2Å; Y784-V788 HydrophobicContact CD2-CG2 4.04Å; Y784-V788 HydrophobicContact CE1-CG2 4.06Å; Y784-V788 HydrophobicContact CE2-CG2 3.53Å; Y784-V788 HydrophobicContact CG-CG2 4.5Å; Y784-V788 WeakPolarHBondContact O-CB 2.91Å; Y784-V788 WeakPolarHBondContact O-CG2 3.41Å; Y784-V788 PolarHBondContact O-N 3.34Å; Y784-Y830 WeakPolarHBondContact CD1-OH 3.34Å; Y784-I834 HydrophobicContact CD2-CD1 3.7Å; Y784-I834 HydrophobicContact CD2-CG1 3.73Å; Y784-I834 HydrophobicContact CD2-CG2 4.32Å; Y784-I834 HydrophobicContact CE2-CG1 4.32Å; Y784-I834 HydrophobicContact CG-CD1 4.11Å; Y784-I890 HydrophobicContact CE2-CD1 4.21Å |
| 785 | I | 86.1 | Confident | 86.8 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 175 | -67.1 | 158.5 | 0 | 0 | 0 | 110.3 | F682 I691 M695 L753 L766 D781 I782 V788 M789 | F682-I785 HydrophobicContact CE1-CD1 4.24Å; F682-I785 HydrophobicContact CZ-CD1 3.64Å; I691-I785 HydrophobicContact CG2-CD1 4.44Å; I691-I785 HydrophobicContact CG2-CG1 4.32Å; M695-I785 HydrophobicContact CE-CG1 4.14Å; M695-I785 HydrophobicContact CE-CG2 4.26Å; M695-I785 HydrophobicContact CG-CG1 4.49Å; M695-I785 HydrophobicContact SD-CB 4.43Å; M695-I785 HydrophobicContact SD-CG1 4.11Å; M695-I785 HydrophobicContact SD-CG2 4.29Å; L753-I785 HydrophobicContact CD2-CD1 4Å; L766-I785 HydrophobicContact CD2-CB 4.47Å; L766-I785 HydrophobicContact CD2-CG2 3.93Å; D781-I785 WeakPolarHBondContact O-CD1 3.44Å; D781-I785 VanDerWaalsContact O-CG1 3.29Å; D781-I785 WeakPolarHBondContact O-CG1 3.42Å; D781-I785 PolarHBondContact O-N 3.3Å; I782-I785 PolarHBondContact O-N 3.44Å; I785-V788 PolarHBondContact O-N 3.25Å; I785-M789 HydrophobicContact CG2-CG 4.36Å; I785-M789 HydrophobicContact CG2-SD 3.78Å; I785-M789 WeakPolarHBondContact O-CB 3.22Å; I785-M789 VanDerWaalsContact O-CG 3.3Å; I785-M789 WeakPolarHBondContact O-CG 3.19Å; I785-M789 PolarHBondContact O-N 3.45Å |
| 786 | L | 88.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 176 | -69.6 | 175.1 | 0 | 0 | 0 | 111.8 | F763 L766 V767 I770 I782 L783 Y784 V788 M789 K790 W794 V808 | F763-L786 HydrophobicContact CD1-CD2 3.86Å; L766-L786 HydrophobicContact CD2-CD2 3.83Å; L766-L786 HydrophobicContact CD2-CG 4.08Å; V767-L786 HydrophobicContact CG2-CD1 4.09Å; I770-L786 HydrophobicContact CD1-CD1 4.04Å; I782-L786 HydrophobicContact CG2-CD1 4.2Å; I782-L786 WeakPolarHBondContact O-CG 3.38Å; I782-L786 PolarHBondContact O-N 2.71Å; L783-L786 HydrophobicContact CD2-CD1 4.33Å; L783-L786 PolarHBondContact O-N 3.43Å; Y784-L786 VanDerWaalsContact C-N 3.33Å; Y784-L786 PolarHBondContact O-N 2.92Å; L786-V788 PolarHBondContact O-N 2.98Å; L786-M789 PolarHBondContact O-N 3.05Å; L786-K790 WeakPolarHBondContact O-CA 3.44Å; L786-K790 WeakPolarHBondContact O-CB 3.46Å; L786-K790 PolarHBondContact O-N 3.24Å; L786-W794 HydrophobicContact CD1-CZ3 4.23Å; L786-W794 HydrophobicContact CD2-CE3 4.33Å; L786-W794 HydrophobicContact CD2-CZ3 3.83Å; L786-V808 HydrophobicContact CB-CG2 4.06Å |
| 787 | Y | 88.9 | Confident | 86.7 | Confident | 64 Ų | 64 | 35.4 Ų | 35.4 | 25% | 0.251 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58 | -48.8 | 176.9 | 176.4 | -89.3 | 0 | 0 | 0 | 111.6 | L783 Y784 G791 A792 L812 I834 | L783-Y787 VanDerWaalsContact O-CB 3.26Å; L783-Y787 WeakPolarHBondContact O-CB 3.42Å; L783-Y787 PolarHBondContact O-N 3.22Å; Y784-Y787 WeakPolarHBondContact O-CB 3.18Å; Y784-Y787 PolarHBondContact O-N 3.2Å; Y787-G791 WeakPolarHBondContact O-CA 3.46Å; Y787-G791 PolarHBondContact O-N 3.1Å; Y787-A792 HydrophobicContact CD2-CB 3.86Å; Y787-A792 HydrophobicContact CE2-CB 3.54Å; Y787-L812 HydrophobicContact CD2-CD1 4.18Å; Y787-I834 HydrophobicContact CD1-CG2 3.92Å; Y787-I834 HydrophobicContact CD2-CG2 4.02Å; Y787-I834 HydrophobicContact CE1-CG2 4.17Å; Y787-I834 HydrophobicContact CE2-CG2 4.25Å; Y787-I834 HydrophobicContact CG-CG2 3.85Å; Y787-I834 PolarHBondContact OH-O 2.96Å |
| 788 | V | 84.4 | Confident | 86.2 | Confident | 28 Ų | 28 | 33.7 Ų | 33.7 | 17% | 0.17 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | -179.3 | 167.4 | 0 | 0 | 0 | 0 | 112.2 | M695 Q699 Y784 I785 L786 | M695-V788 HydrophobicContact CB-CG1 4.25Å; M695-V788 HydrophobicContact CG-CG1 4.49Å; M695-V788 HydrophobicContact SD-CB 4.2Å; M695-V788 HydrophobicContact SD-CG1 3.89Å; Q699-V788 HydrophobicContact CG-CG1 4.17Å; Y784-V788 HydrophobicContact CD2-CG2 4.04Å; Y784-V788 HydrophobicContact CE1-CG2 4.06Å; Y784-V788 HydrophobicContact CE2-CG2 3.53Å; Y784-V788 HydrophobicContact CG-CG2 4.5Å; Y784-V788 WeakPolarHBondContact O-CB 2.91Å; Y784-V788 WeakPolarHBondContact O-CG2 3.41Å; Y784-V788 PolarHBondContact O-N 3.34Å; I785-V788 PolarHBondContact O-N 3.25Å; L786-V788 PolarHBondContact O-N 2.98Å |
| 789 | M | 84.3 | Confident | 85.4 | Confident | 66 Ų | 66 | 37 Ų | 37 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -90.5 | -27.1 | -172.9 | -65.2 | -172.1 | 80 | 0 | 0 | 114.4 | M695 F763 I785 L786 | M695-M789 HydrophobicContact SD-CG 4.46Å; F763-M789 HydrophobicContact CE1-CB 3.88Å; F763-M789 HydrophobicContact CE1-CE 4.1Å; F763-M789 HydrophobicContact CE1-SD 3.86Å; F763-M789 HydrophobicContact CZ-CB 4.21Å; F763-M789 HydrophobicContact CZ-CE 3.74Å; F763-M789 HydrophobicContact CZ-SD 4.15Å; I785-M789 HydrophobicContact CG2-CG 4.36Å; I785-M789 HydrophobicContact CG2-SD 3.78Å; I785-M789 WeakPolarHBondContact O-CB 3.22Å; I785-M789 VanDerWaalsContact O-CG 3.3Å; I785-M789 WeakPolarHBondContact O-CG 3.19Å; I785-M789 PolarHBondContact O-N 3.45Å; L786-M789 PolarHBondContact O-N 3.05Å |
| 790 | K | 88.1 | Confident | 84 | Confident | 91 Ų | 91 | 38.2 Ų | 38.2 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -121 | -20.1 | -175.3 | -63.6 | -64.1 | -169.4 | -175.1 | 0 | 114.4 | F763 L786 W794 | F763-K790 HydrophobicContact CD1-CG 4.2Å; F763-K790 HydrophobicContact CE1-CD 4.37Å; F763-K790 HydrophobicContact CE1-CG 4.1Å; F763-K790 VanDerWaalsContact CE2-NZ 3.34Å; F763-K790 HydrophobicContact CZ-CD 4.35Å; F763-K790 VanDerWaalsContact CZ-CE 3.45Å; L786-K790 WeakPolarHBondContact O-CA 3.44Å; L786-K790 WeakPolarHBondContact O-CB 3.46Å; L786-K790 PolarHBondContact O-N 3.24Å; K790-W794 HydrophobicContact CB-CB 3.66Å; K790-W794 HydrophobicContact CB-CD2 3.89Å; K790-W794 HydrophobicContact CB-CE3 4.37Å; K790-W794 HydrophobicContact CB-CG 3.54Å; K790-W794 HydrophobicContact CG-CD2 4Å; K790-W794 HydrophobicContact CG-CE3 4.39Å; K790-W794 HydrophobicContact CG-CG 4.1Å |
| 791 | G | 86.9 | Confident | 82.1 | Confident | 29 Ų | 29 | 44 Ų | 44 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | trans | 96.1 | 164.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y787 E793 W794 | Y787-G791 WeakPolarHBondContact O-CA 3.46Å; Y787-G791 PolarHBondContact O-N 3.1Å; G791-E793 PolarHBondContact O-N 3.34Å; G791-W794 WeakPolarHBondContact O-CB 3.04Å; G791-W794 PolarHBondContact O-N 2.92Å | ||
| 792 | A | 87.2 | Confident | 80.5 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -36.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y787 W794 V808 R809 | Y787-A792 HydrophobicContact CD2-CB 3.86Å; Y787-A792 HydrophobicContact CE2-CB 3.54Å; A792-W794 VanDerWaalsContact C-N 3.26Å; A792-W794 PolarHBondContact O-N 3.42Å; A792-V808 PolarHBondContact O-N 2.97Å; A792-R809 HydrophobicContact CB-CB 4.24Å; A792-R809 PolarHBondContact O-N 3.25Å |
| 793 | E | 90.2 | Very high | 79 | Confident | 108 Ų | 108 | 54.1 Ų | 54.1 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 5.9 | -177.1 | -57.7 | -44.3 | 126 | 0 | 0 | 113.6 | G791 V795 R809 | G791-E793 PolarHBondContact O-N 3.34Å; E793-V795 PolarHBondContact O-N 3.02Å; E793-R809 IonicContact OE1-CZ 2.91Å; E793-R809 IonicContact OE1-NE 3.31Å; E793-R809 IonicContact OE1-NH1 3.25Å; E793-R809 PolarHBondContact OE1-NH1 2.83Å |
| 794 | W | 89.1 | Confident | 77.7 | Confident | 80 Ų | 80 | 56.6 Ų | 56.6 | 30% | 0.303 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -67 | 127.5 | 176.8 | -172.3 | 68.1 | 0 | 0 | 0 | 110.5 | F763 V767 L786 K790 G791 A792 V796 S807 V808 | F763-W794 HydrophobicContact CB-CH2 4.43Å; V767-W794 HydrophobicContact CG2-CH2 3.82Å; V767-W794 HydrophobicContact CG2-CZ3 3.78Å; L786-W794 HydrophobicContact CD1-CZ3 4.23Å; L786-W794 HydrophobicContact CD2-CE3 4.33Å; L786-W794 HydrophobicContact CD2-CZ3 3.83Å; K790-W794 HydrophobicContact CB-CB 3.66Å; K790-W794 HydrophobicContact CB-CD2 3.89Å; K790-W794 HydrophobicContact CB-CE3 4.37Å; K790-W794 HydrophobicContact CB-CG 3.54Å; K790-W794 HydrophobicContact CG-CD2 4Å; K790-W794 HydrophobicContact CG-CE3 4.39Å; K790-W794 HydrophobicContact CG-CG 4.1Å; G791-W794 WeakPolarHBondContact O-CB 3.04Å; G791-W794 PolarHBondContact O-N 2.92Å; A792-W794 VanDerWaalsContact C-N 3.26Å; A792-W794 PolarHBondContact O-N 3.42Å; W794-V796 HydrophobicContact CE3-CG2 3.77Å; W794-V796 HydrophobicContact CZ3-CG2 3.74Å; W794-S807 CarbonylContact O-C 3.26Å; W794-S807 WeakPolarHBondContact O-CA 3.48Å; W794-V808 HydrophobicContact CB-CG2 4.32Å; W794-V808 HydrophobicContact CE3-CG2 3.94Å; W794-V808 WeakPolarHBondContact O-CG2 3.43Å; W794-V808 PolarHBondContact O-N 2.84Å |
| 795 | V | 86.2 | Confident | 77.1 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 47% | 0.473 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124.3 | -174.7 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | E793 G805 | E793-V795 PolarHBondContact O-N 3.02Å; V795-G805 VanDerWaalsContact CG1-C 3.5Å; V795-G805 VanDerWaalsContact CG1-CA 3.41Å |
| 796 | V | 84.7 | Confident | 77 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.4 | 178.5 | -170.4 | 0 | 0 | 0 | 0 | 109.9 | V767 W794 L798 G805 V806 V808 L811 | V767-V796 HydrophobicContact CB-CG1 4.28Å; V767-V796 HydrophobicContact CG1-CG1 3.46Å; V767-V796 VanDerWaalsContact CG1-CG1 3.46Å; V767-V796 HydrophobicContact CG2-CG1 3.78Å; W794-V796 HydrophobicContact CE3-CG2 3.77Å; W794-V796 HydrophobicContact CZ3-CG2 3.74Å; V796-L798 HydrophobicContact CG1-CD2 4.08Å; V796-L798 HydrophobicContact CG1-CG 3.97Å; V796-L798 PolarHBondContact O-N 3.33Å; V796-G805 WeakPolarHBondContact O-CA 2.93Å; V796-V806 PolarHBondContact N-O 3.35Å; V796-V806 PolarHBondContact O-N 3.32Å; V796-V808 HydrophobicContact CG2-CG2 3.66Å; V796-L811 HydrophobicContact CB-CD1 3.82Å; V796-L811 HydrophobicContact CG1-CD1 4.1Å; V796-L811 HydrophobicContact CG2-CD1 3.8Å |
| 797 | E | 82.2 | Confident | 77.1 | Confident | 98 Ų | 98 | 58.2 Ų | 58.2 | 46% | 0.458 | 35% | 0.351 | S | S | . | . | trans | -95 | 88.8 | 175.6 | -66.6 | -168.5 | 156.7 | 0 | 0 | 111.2 | ||||
| 798 | L | 74.9 | Confident | 77.1 | Confident | 16 Ų | 16 | 55.2 Ų | 55.2 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -79.7 | -30.6 | 177.6 | -67.9 | 169.6 | 0 | 0 | 0 | 112.7 | L671 V767 I770 K771 V796 L811 | L671-L798 HydrophobicContact CD2-CD1 4.34Å; V767-L798 HydrophobicContact CG1-CD2 4.17Å; I770-L798 HydrophobicContact CB-CD2 4.35Å; I770-L798 HydrophobicContact CG2-CD2 4.19Å; K771-L798 WeakPolarHBondContact CE-O 3.36Å; K771-L798 PolarHBondContact NZ-O 3.32Å; V796-L798 HydrophobicContact CG1-CD2 4.08Å; V796-L798 HydrophobicContact CG1-CG 3.97Å; V796-L798 PolarHBondContact O-N 3.33Å; L798-L811 HydrophobicContact CD1-CD1 3.97Å; L798-L811 HydrophobicContact CD1-CD2 3.62Å; L798-L811 HydrophobicContact CD1-CG 4.48Å |
| 799 | S | 64.6 | Low | 77.4 | Confident | 78 Ų | 78 | 58.4 Ų | 58.4 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -91.1 | 1.4 | -172.9 | -52.3 | 0 | 0 | 0 | 0 | 115 | Q803 | S799-Q803 PolarHBondContact O-OE1 3.07Š|
| 800 | G | 58.7 | Low | 77.6 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | trans | 98.4 | 168.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G802 | G800-G802 PolarHBondContact O-N 3.02Š| ||
| 801 | P | 49.3 | Very low | 77.6 | Confident | 122 Ų | 122 | 52.8 Ų | 52.8 | 79% | 0.792 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 126.5 | -171.3 | -7.6 | 16.3 | 0 | 0 | 0 | 111.7 | ||
| 802 | G | 53.7 | Low | 77.8 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 75% | 0.753 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 10.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | G800 | G800-G802 PolarHBondContact O-N 3.02Š|
| 803 | Q | 53.5 | Low | 77.9 | Confident | 148 Ų | 148 | 54.8 Ų | 54.8 | 69% | 0.692 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -104.1 | 18.1 | 177.4 | -69.4 | -166 | -13.8 | 0 | 0 | 114.7 | S799 | S799-Q803 PolarHBondContact O-OE1 3.07Š|
| 804 | G | 62.9 | Low | 77.8 | Confident | 51 Ų | 51 | 50 Ų | 50 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | trans | 89.2 | 121.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 805 | G | 74.2 | Confident | 77.8 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | trans | -92.5 | 160.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | V795 V796 | V795-G805 VanDerWaalsContact CG1-C 3.5Å; V795-G805 VanDerWaalsContact CG1-CA 3.41Å; V796-G805 WeakPolarHBondContact O-CA 2.93Å | ||
| 806 | V | 85.6 | Confident | 78 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.6 | -175.5 | 179 | 0 | 0 | 0 | 0 | 109.1 | Y670 V796 S810 L811 | Y670-V806 HydrophobicContact CD1-CG2 3.37Å; Y670-V806 HydrophobicContact CD2-CG1 3.77Å; Y670-V806 HydrophobicContact CD2-CG2 4.02Å; Y670-V806 HydrophobicContact CE1-CG2 3.63Å; Y670-V806 HydrophobicContact CE2-CG1 4.11Å; Y670-V806 HydrophobicContact CE2-CG2 4.24Å; Y670-V806 HydrophobicContact CG-CB 4.37Å; Y670-V806 HydrophobicContact CG-CG1 4.01Å; Y670-V806 HydrophobicContact CG-CG2 3.55Å; V796-V806 PolarHBondContact N-O 3.35Å; V796-V806 PolarHBondContact O-N 3.32Å; V806-S810 VanDerWaalsContact CG1-CB 3.48Å; V806-L811 HydrophobicContact CB-CD2 4.32Å; V806-L811 HydrophobicContact CG1-CD2 3.84Å; V806-L811 HydrophobicContact CG1-CG 4.02Å |
| 807 | S | 89.6 | Confident | 78.1 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 150.2 | 179.9 | 65.7 | 0 | 0 | 0 | 0 | 112.2 | W794 R809 S810 L811 | W794-S807 CarbonylContact O-C 3.26Å; W794-S807 WeakPolarHBondContact O-CA 3.48Å; S807-R809 PolarHBondContact O-N 2.91Å; S807-S810 PolarHBondContact O-N 2.88Å; S807-S810 VanDerWaalsContact O-N 3.08Å; S807-S810 PolarHBondContact OG-N 3.09Å; S807-S810 PolarHBondContact OG-OG 2.95Å; S807-L811 PolarHBondContact O-N 2.73Å; S807-L811 VanDerWaalsContact O-N 3.1Å |
| 808 | V | 89.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.7 | -38.2 | 171.8 | 173 | 0 | 0 | 0 | 0 | 110.9 | L783 L786 A792 W794 V796 L811 L812 | L783-V808 HydrophobicContact CD2-CG1 4.43Å; L786-V808 HydrophobicContact CB-CG2 4.06Å; A792-V808 PolarHBondContact O-N 2.97Å; W794-V808 HydrophobicContact CB-CG2 4.32Å; W794-V808 HydrophobicContact CE3-CG2 3.94Å; W794-V808 WeakPolarHBondContact O-CG2 3.43Å; W794-V808 PolarHBondContact O-N 2.84Å; V796-V808 HydrophobicContact CG2-CG2 3.66Å; V808-L811 PolarHBondContact O-N 2.91Å; V808-L812 HydrophobicContact CG1-CD1 3.92Å; V808-L812 HydrophobicContact CG1-CG 4.37Å; V808-L812 WeakPolarHBondContact O-CG 3.25Å; V808-L812 PolarHBondContact O-N 2.93Å |
| 809 | R | 89.9 | Confident | 79 | Confident | 95 Ų | 95 | 43.4 Ų | 43.4 | 36% | 0.358 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56 | -51.2 | 173.5 | 175.8 | 172.1 | -87.1 | 164.5 | -20.6 | 112.2 | A792 E793 S807 L811 L812 E813 L835 | A792-R809 HydrophobicContact CB-CB 4.24Å; A792-R809 PolarHBondContact O-N 3.25Å; E793-R809 IonicContact OE1-CZ 2.91Å; E793-R809 IonicContact OE1-NE 3.31Å; E793-R809 IonicContact OE1-NH1 3.25Å; E793-R809 PolarHBondContact OE1-NH1 2.83Å; S807-R809 PolarHBondContact O-N 2.91Å; R809-L811 VanDerWaalsContact C-N 3.3Å; R809-L811 PolarHBondContact O-N 3.18Å; R809-L812 PolarHBondContact O-N 3.41Å; R809-L812 VanDerWaalsContact O-N 3.16Å; R809-E813 WeakPolarHBondContact O-CG 3.19Å; R809-E813 PolarHBondContact O-N 2.94Å; R809-L835 HydrophobicContact CG-CD2 4.27Å |
| 810 | S | 87.8 | Confident | 80 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 179.3 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | V806 S807 E813 E814 | V806-S810 VanDerWaalsContact CG1-CB 3.48Å; S807-S810 PolarHBondContact O-N 2.88Å; S807-S810 VanDerWaalsContact O-N 3.08Å; S807-S810 PolarHBondContact OG-N 3.09Å; S807-S810 PolarHBondContact OG-OG 2.95Å; S810-E813 PolarHBondContact O-N 3.31Å; S810-E814 PolarHBondContact O-N 2.87Å |
| 811 | L | 89.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 175.4 | -63.1 | 178.2 | 0 | 0 | 0 | 112.1 | L671 L783 V796 L798 V806 S807 V808 R809 E814 L815 | L671-L811 WeakPolarHBondContact CD1-O 3.43Å; L671-L811 HydrophobicContact CD2-CB 4.26Å; L671-L811 HydrophobicContact CD2-CD2 3.87Å; L671-L811 HydrophobicContact CD2-CG 4.45Å; L671-L811 HydrophobicContact CG-CB 4.49Å; L671-L811 HydrophobicContact CG-CD2 3.94Å; L783-L811 HydrophobicContact CD1-CB 4.02Å; L783-L811 HydrophobicContact CD2-CB 4Å; L783-L811 HydrophobicContact CD2-CD1 3.89Å; V796-L811 HydrophobicContact CB-CD1 3.82Å; V796-L811 HydrophobicContact CG1-CD1 4.1Å; V796-L811 HydrophobicContact CG2-CD1 3.8Å; L798-L811 HydrophobicContact CD1-CD1 3.97Å; L798-L811 HydrophobicContact CD1-CD2 3.62Å; L798-L811 HydrophobicContact CD1-CG 4.48Å; V806-L811 HydrophobicContact CB-CD2 4.32Å; V806-L811 HydrophobicContact CG1-CD2 3.84Å; V806-L811 HydrophobicContact CG1-CG 4.02Å; S807-L811 PolarHBondContact O-N 2.73Å; S807-L811 VanDerWaalsContact O-N 3.1Å; V808-L811 PolarHBondContact O-N 2.91Å; R809-L811 VanDerWaalsContact C-N 3.3Å; R809-L811 PolarHBondContact O-N 3.18Å; L811-E814 PolarHBondContact O-N 2.81Å; L811-L815 WeakPolarHBondContact O-CB 3.39Å; L811-L815 PolarHBondContact O-N 2.93Å |
| 812 | L | 90.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.1 | -36.8 | 174.4 | -76.1 | 166.9 | 0 | 0 | 0 | 112 | L783 Y787 V808 R809 L815 Y816 I831 I834 L835 | L783-L812 HydrophobicContact CB-CD2 3.68Å; L783-L812 HydrophobicContact CB-CG 4.09Å; L783-L812 HydrophobicContact CD1-CD2 4.03Å; L783-L812 HydrophobicContact CD1-CG 4.25Å; Y787-L812 HydrophobicContact CD2-CD1 4.18Å; V808-L812 HydrophobicContact CG1-CD1 3.92Å; V808-L812 HydrophobicContact CG1-CG 4.37Å; V808-L812 WeakPolarHBondContact O-CG 3.25Å; V808-L812 PolarHBondContact O-N 2.93Å; R809-L812 PolarHBondContact O-N 3.41Å; R809-L812 VanDerWaalsContact O-N 3.16Å; L812-L815 PolarHBondContact O-N 3.43Å; L812-Y816 VanDerWaalsContact O-CB 3.32Å; L812-Y816 WeakPolarHBondContact O-CB 3.28Å; L812-Y816 PolarHBondContact O-N 3.06Å; L812-I831 HydrophobicContact CB-CG2 4.49Å; L812-I831 HydrophobicContact CD2-CG2 4.37Å; L812-I831 WeakPolarHBondContact O-CG2 3.17Å; L812-I834 HydrophobicContact CD1-CG2 3.64Å; L812-I834 HydrophobicContact CD2-CD1 4.3Å; L812-L835 HydrophobicContact CB-CD1 4.3Å; L812-L835 HydrophobicContact CB-CD2 3.71Å; L812-L835 HydrophobicContact CB-CG 4.09Å; L812-L835 HydrophobicContact CD1-CD2 4.26Å |
| 813 | E | 88.6 | Confident | 84.4 | Confident | 86 Ų | 86 | 38.2 Ų | 38.2 | 40% | 0.402 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.1 | -74.7 | 173.9 | 179.5 | 0 | 0 | 112.2 | R809 S810 Y816 V817 L835 | R809-E813 WeakPolarHBondContact O-CG 3.19Å; R809-E813 PolarHBondContact O-N 2.94Å; S810-E813 PolarHBondContact O-N 3.31Å; E813-Y816 WeakPolarHBondContact O-CB 3.34Å; E813-Y816 PolarHBondContact O-N 2.8Å; E813-V817 WeakPolarHBondContact O-CG2 3.5Å; E813-V817 PolarHBondContact O-N 3.31Å; E813-L835 HydrophobicContact CG-CD1 4Å; E813-L835 HydrophobicContact CG-CD2 4.22Å |
| 814 | E | 88.3 | Confident | 86 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 172 | -175.3 | -179.9 | 177.5 | 0 | 0 | 111.2 | S669 Y670 L671 S810 L811 Y816 V817 Q818 | S669-E814 VanDerWaalsContact CA-OE1 3.3Å; S669-E814 WeakPolarHBondContact CA-OE1 3.18Å; Y670-E814 WeakPolarHBondContact CA-OE2 3.47Å; Y670-E814 VanDerWaalsContact N-CD 3.25Å; Y670-E814 PolarHBondContact N-OE1 3.32Å; Y670-E814 VanDerWaalsContact N-OE1 3.08Å; Y670-E814 PolarHBondContact N-OE2 3.38Å; L671-E814 HydrophobicContact CD1-CB 4.14Å; L671-E814 HydrophobicContact CD1-CG 4.13Å; L671-E814 HydrophobicContact CG-CG 4.48Å; L671-E814 VanDerWaalsContact N-CD 3.33Å; L671-E814 PolarHBondContact N-OE1 3.45Å; L671-E814 VanDerWaalsContact N-OE1 3.13Å; L671-E814 PolarHBondContact N-OE2 3.37Å; S810-E814 PolarHBondContact O-N 2.87Å; L811-E814 PolarHBondContact O-N 2.81Å; E814-Y816 VanDerWaalsContact C-N 3.29Å; E814-Y816 PolarHBondContact O-N 2.83Å; E814-V817 PolarHBondContact O-N 2.71Å; E814-V817 VanDerWaalsContact O-N 3.16Å; E814-Q818 WeakPolarHBondContact O-CG 3.4Å; E814-Q818 PolarHBondContact O-N 3.39Å; E814-Q818 PolarHBondContact OE1-NE2 3.25Å |
| 815 | L | 89.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -36 | 178.4 | -167.6 | 66.4 | 0 | 0 | 0 | 112 | L671 L776 Q779 A780 L783 L811 L812 Q818 A819 I831 | L671-L815 HydrophobicContact CD1-CB 3.91Å; L671-L815 HydrophobicContact CD1-CD1 4.16Å; L776-L815 HydrophobicContact CB-CD1 4.27Å; L776-L815 HydrophobicContact CD2-CD1 3.66Å; Q779-L815 HydrophobicContact CB-CD1 4.16Å; Q779-L815 HydrophobicContact CB-CD2 4.16Å; A780-L815 VanDerWaalsContact CA-CD2 3.49Å; A780-L815 HydrophobicContact CB-CD2 3.6Å; L783-L815 HydrophobicContact CD1-CD2 4.08Å; L811-L815 WeakPolarHBondContact O-CB 3.39Å; L811-L815 PolarHBondContact O-N 2.93Å; L812-L815 PolarHBondContact O-N 3.43Å; L815-Q818 PolarHBondContact O-N 3.41Å; L815-A819 WeakPolarHBondContact O-CB 3.37Å; L815-A819 PolarHBondContact O-N 3.08Å; L815-I831 HydrophobicContact CB-CD1 4.26Å; L815-I831 HydrophobicContact CD2-CD1 3.84Å; L815-I831 HydrophobicContact CD2-CG1 4.49Å; L815-I831 HydrophobicContact CG-CD1 3.73Å |
| 816 | Y | 90.1 | Very high | 88 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58 | -46.3 | 172.9 | 169.7 | -95.7 | 0 | 0 | 0 | 111.6 | F530 Y531 L812 E813 E814 G820 I828 I831 S832 K837 | F530-Y816 VanDerWaalsContact C-OH 3.25Å; F530-Y816 WeakPolarHBondContact CA-OH 3.27Å; Y531-Y816 WeakPolarHBondContact CB-OH 3.41Å; Y531-Y816 AromaticContact CD1-CE2 3.99Å; Y531-Y816 HydrophobicContact CD1-CE2 3.99Å; Y531-Y816 PolarHBondContact N-OH 3.3Å; L812-Y816 VanDerWaalsContact O-CB 3.32Å; L812-Y816 WeakPolarHBondContact O-CB 3.28Å; L812-Y816 PolarHBondContact O-N 3.06Å; E813-Y816 WeakPolarHBondContact O-CB 3.34Å; E813-Y816 PolarHBondContact O-N 2.8Å; E814-Y816 VanDerWaalsContact C-N 3.29Å; E814-Y816 PolarHBondContact O-N 2.83Å; Y816-G820 PolarHBondContact O-N 3.06Å; Y816-I828 HydrophobicContact CD2-CG2 4.08Å; Y816-I828 HydrophobicContact CE2-CG2 3.69Å; Y816-I831 HydrophobicContact CD2-CG2 4.49Å; Y816-S832 VanDerWaalsContact CE2-OG 3.29Å; Y816-S832 WeakPolarHBondContact CE2-OG 3.5Å; Y816-K837 HydrophobicContact CD2-CD 4.26Å; Y816-K837 HydrophobicContact CE1-CD 4.3Å; Y816-K837 HydrophobicContact CE2-CD 3.89Å |
| 817 | V | 86.4 | Confident | 88.2 | Confident | 71 Ų | 71 | 30.8 Ų | 30.8 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 177.1 | 175 | 0 | 0 | 0 | 0 | 110.9 | T667 E813 E814 G820 A821 | T667-V817 HydrophobicContact CG2-CG2 4.32Å; E813-V817 WeakPolarHBondContact O-CG2 3.5Å; E813-V817 PolarHBondContact O-N 3.31Å; E814-V817 PolarHBondContact O-N 2.71Å; E814-V817 VanDerWaalsContact O-N 3.16Å; V817-G820 PolarHBondContact O-N 3.28Å; V817-A821 PolarHBondContact O-N 3.34Å |
| 818 | Q | 87.1 | Confident | 88.3 | Confident | 55 Ų | 55 | 30 Ų | 30 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65 | -46.9 | 177.8 | -68.1 | -179 | 1.9 | 0 | 0 | 112.5 | L776 E814 L815 G820 A821 C822 | L776-Q818 HydrophobicContact CD2-CB 4.36Å; E814-Q818 WeakPolarHBondContact O-CG 3.4Å; E814-Q818 PolarHBondContact O-N 3.39Å; E814-Q818 PolarHBondContact OE1-NE2 3.25Å; L815-Q818 PolarHBondContact O-N 3.41Å; Q818-G820 PolarHBondContact O-N 3.31Å; Q818-A821 PolarHBondContact O-N 3.24Å; Q818-C822 PolarHBondContact O-N 2.82Å |
| 819 | A | 88.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L815 C822 K823 E824 L827 I828 I831 | L815-A819 WeakPolarHBondContact O-CB 3.37Å; L815-A819 PolarHBondContact O-N 3.08Å; A819-C822 CarbonylContact O-C 3.5Å; A819-C822 PolarHBondContact O-N 3.01Å; A819-K823 PolarHBondContact O-N 2.93Å; A819-E824 PolarHBondContact O-N 2.71Å; A819-E824 VanDerWaalsContact O-N 3.11Å; A819-L827 HydrophobicContact CB-CD2 4.01Å; A819-L827 HydrophobicContact CB-CG 4.09Å; A819-I828 HydrophobicContact CB-CG1 3.67Å; A819-I828 WeakPolarHBondContact O-CD1 3.29Å; A819-I831 HydrophobicContact CB-CD1 4.1Å |
| 820 | G | 86.9 | Confident | 88.3 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57 | -50.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y816 V817 Q818 C822 K823 | Y816-G820 PolarHBondContact O-N 3.06Å; V817-G820 PolarHBondContact O-N 3.28Å; Q818-G820 PolarHBondContact O-N 3.31Å; G820-C822 VanDerWaalsContact C-N 3.25Å; G820-C822 PolarHBondContact O-N 2.72Å; G820-K823 PolarHBondContact O-N 3.08Å |
| 821 | A | 83.3 | Confident | 88.5 | Confident | 85 Ų | 85 | 24 Ų | 24 | 70% | 0.702 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -61.6 | -34.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V817 Q818 K823 | V817-A821 PolarHBondContact O-N 3.34Å; Q818-A821 PolarHBondContact O-N 3.24Å; A821-K823 VanDerWaalsContact C-N 3.33Å |
| 822 | C | 84.3 | Confident | 88.6 | Confident | 43 Ų | 43 | 24 Ų | 24 | 29% | 0.291 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.7 | 175.3 | -66.2 | 0 | 0 | 0 | 0 | 114.1 | L776 Q818 A819 G820 E824 | L776-C822 HydrophobicContact CD1-CB 4.36Å; Q818-C822 PolarHBondContact O-N 2.82Å; A819-C822 CarbonylContact O-C 3.5Å; A819-C822 PolarHBondContact O-N 3.01Å; G820-C822 VanDerWaalsContact C-N 3.25Å; G820-C822 PolarHBondContact O-N 2.72Å; C822-E824 HydrophobicContact CB-CG 4.02Å; C822-E824 PolarHBondContact O-N 3.43Å |
| 823 | K | 85.8 | Confident | 88.6 | Confident | 58 Ų | 58 | 24 Ų | 24 | 25% | 0.252 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 37.9 | -175.5 | -60.1 | 179.1 | 179.3 | 176 | 0 | 113.2 | A819 G820 A821 W825 | A819-K823 PolarHBondContact O-N 2.93Å; G820-K823 PolarHBondContact O-N 3.08Å; A821-K823 VanDerWaalsContact C-N 3.33Å; K823-W825 HydrophobicContact CB-CH2 4.32Å; K823-W825 HydrophobicContact CB-CZ2 3.81Å; K823-W825 HydrophobicContact CD-CZ2 4.23Å; K823-W825 HydrophobicContact CG-CH2 4.21Å; K823-W825 HydrophobicContact CG-CZ2 3.99Å; K823-W825 PolarHBondContact O-N 3.09Å; K823-W825 VanDerWaalsContact O-N 3.11Å |
| 824 | E | 87.8 | Confident | 88.5 | Confident | 28 Ų | 28 | 20 Ų | 20 | 13% | 0.131 | 12% | 0.123 | C | C | . | . | trans | -83.2 | 76.4 | 175.3 | -67.4 | -164.6 | 162.4 | 0 | 0 | 110.7 | A819 C822 G826 L827 I828 | A819-E824 PolarHBondContact O-N 2.71Å; A819-E824 VanDerWaalsContact O-N 3.11Å; C822-E824 HydrophobicContact CB-CG 4.02Å; C822-E824 PolarHBondContact O-N 3.43Å; E824-G826 VanDerWaalsContact C-N 3.33Å; E824-G826 PolarHBondContact O-N 3.48Å; E824-L827 HydrophobicContact CB-CB 3.99Å; E824-L827 WeakPolarHBondContact O-CB 3.46Å; E824-L827 PolarHBondContact O-N 3.2Å; E824-L827 VanDerWaalsContact OE2-CD2 3.24Å; E824-L827 WeakPolarHBondContact OE2-CD2 3.4Å; E824-I828 VanDerWaalsContact O-CG1 3.31Å; E824-I828 WeakPolarHBondContact O-CG1 3.31Å; E824-I828 PolarHBondContact O-N 2.94Å | ||
| 825 | W | 90.8 | Very high | 88.6 | Confident | 21 Ų | 21 | 20.8 Ų | 20.8 | 8% | 0.08 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.6 | -39.4 | -168.9 | -52.6 | 118.3 | 0 | 0 | 0 | 115.2 | Y531 L534 D535 K823 I828 R829 L951 P953 | Y531-W825 HydrophobicContact CD2-CE3 4.31Å; Y531-W825 HydrophobicContact CD2-CZ3 4.29Å; L534-W825 HydrophobicContact CB-CH2 4.08Å; L534-W825 HydrophobicContact CB-CZ3 4.17Å; D535-W825 HydrophobicContact CB-CH2 3.81Å; D535-W825 HydrophobicContact CB-CZ2 4.13Å; K823-W825 HydrophobicContact CB-CH2 4.32Å; K823-W825 HydrophobicContact CB-CZ2 3.81Å; K823-W825 HydrophobicContact CD-CZ2 4.23Å; K823-W825 HydrophobicContact CG-CH2 4.21Å; K823-W825 HydrophobicContact CG-CZ2 3.99Å; K823-W825 PolarHBondContact O-N 3.09Å; K823-W825 VanDerWaalsContact O-N 3.11Å; W825-I828 HydrophobicContact CE3-CD1 3.82Å; W825-I828 HydrophobicContact CZ3-CD1 4.13Å; W825-R829 WeakPolarHBondContact O-CB 3.33Å; W825-R829 WeakPolarHBondContact O-CG 3.44Å; W825-R829 PolarHBondContact O-N 3.04Å; W825-L951 WeakPolarHBondContact CB-O 3.5Å; W825-P953 HydrophobicContact CE3-CG 4.25Å; W825-P953 HydrophobicContact CZ3-CG 4.13Å |
| 826 | G | 88.4 | Confident | 88.5 | Confident | 24 Ų | 24 | 28 Ų | 28 | 25% | 0.247 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E824 Y830 M949 | E824-G826 VanDerWaalsContact C-N 3.33Å; E824-G826 PolarHBondContact O-N 3.48Å; G826-Y830 WeakPolarHBondContact O-CB 3.48Å; G826-Y830 PolarHBondContact O-N 2.9Å; G826-M949 VanDerWaalsContact CA-O 3.23Å; G826-M949 WeakPolarHBondContact CA-O 3.26Å; G826-M949 PolarHBondContact N-O 2.61Å |
| 827 | L | 89.1 | Confident | 88.4 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.6 | -41.5 | 177.9 | -179.3 | 57.8 | 0 | 0 | 0 | 111.7 | L776 A780 A819 E824 R829 Y830 I831 | L776-L827 HydrophobicContact CB-CD2 3.48Å; L776-L827 VanDerWaalsContact CB-CD2 3.48Å; A780-L827 HydrophobicContact CB-CD1 3.56Å; A819-L827 HydrophobicContact CB-CD2 4.01Å; A819-L827 HydrophobicContact CB-CG 4.09Å; E824-L827 HydrophobicContact CB-CB 3.99Å; E824-L827 WeakPolarHBondContact O-CB 3.46Å; E824-L827 PolarHBondContact O-N 3.2Å; E824-L827 VanDerWaalsContact OE2-CD2 3.24Å; E824-L827 WeakPolarHBondContact OE2-CD2 3.4Å; L827-R829 VanDerWaalsContact C-N 3.34Å; L827-R829 PolarHBondContact O-N 3.47Å; L827-Y830 HydrophobicContact CD1-CD1 4.17Å; L827-Y830 WeakPolarHBondContact O-CB 3.49Å; L827-Y830 PolarHBondContact O-N 3.04Å; L827-I831 HydrophobicContact CD1-CD1 3.9Å; L827-I831 HydrophobicContact CD1-CG1 4.06Å; L827-I831 HydrophobicContact CD2-CD1 4.44Å; L827-I831 HydrophobicContact CG-CD1 3.79Å; L827-I831 HydrophobicContact CG-CG1 4.39Å; L827-I831 WeakPolarHBondContact O-CG1 3.4Å; L827-I831 PolarHBondContact O-N 3.18Å |
| 828 | I | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 176.5 | -61 | 161.4 | 0 | 0 | 0 | 110.6 | Y531 Y816 A819 E824 W825 Y830 S832 | Y531-I828 HydrophobicContact CD1-CG2 3.34Å; Y531-I828 HydrophobicContact CD2-CG2 3.99Å; Y531-I828 HydrophobicContact CE1-CG2 3.86Å; Y531-I828 HydrophobicContact CE2-CG2 4.47Å; Y531-I828 HydrophobicContact CG-CG2 3.4Å; Y816-I828 HydrophobicContact CD2-CG2 4.08Å; Y816-I828 HydrophobicContact CE2-CG2 3.69Å; A819-I828 HydrophobicContact CB-CG1 3.67Å; A819-I828 WeakPolarHBondContact O-CD1 3.29Å; E824-I828 VanDerWaalsContact O-CG1 3.31Å; E824-I828 WeakPolarHBondContact O-CG1 3.31Å; E824-I828 PolarHBondContact O-N 2.94Å; W825-I828 HydrophobicContact CE3-CD1 3.82Å; W825-I828 HydrophobicContact CZ3-CD1 4.13Å; I828-Y830 VanDerWaalsContact C-N 3.32Å; I828-Y830 PolarHBondContact O-N 3.18Å; I828-S832 VanDerWaalsContact O-CB 3.25Å; I828-S832 WeakPolarHBondContact O-CB 3.39Å; I828-S832 PolarHBondContact O-N 3.24Å; I828-S832 PolarHBondContact O-OG 2.88Å |
| 829 | R | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 173.8 | -81.3 | 176.1 | -174.7 | 109 | 5.5 | 111.7 | Y531 W825 L827 S832 G833 V894 E898 M949 L951 | Y531-R829 WeakPolarHBondContact OH-CG 3.34Å; W825-R829 WeakPolarHBondContact O-CB 3.33Å; W825-R829 WeakPolarHBondContact O-CG 3.44Å; W825-R829 PolarHBondContact O-N 3.04Å; L827-R829 VanDerWaalsContact C-N 3.34Å; L827-R829 PolarHBondContact O-N 3.47Å; R829-S832 PolarHBondContact O-N 2.91Å; R829-G833 PolarHBondContact O-N 3.35Å; R829-V894 HydrophobicContact CG-CG1 4.17Å; R829-E898 IonicContact CZ-OE1 2.82Å; R829-E898 VanDerWaalsContact CZ-OE1 3.25Å; R829-E898 IonicContact CZ-OE2 3.51Å; R829-E898 IonicContact NE-OE1 2.92Å; R829-E898 PolarHBondContact NE-OE1 2.9Å; R829-E898 IonicContact NE-OE2 3.61Å; R829-E898 IonicContact NH2-OE1 2.91Å; R829-E898 PolarHBondContact NH2-OE1 3.3Å; R829-E898 IonicContact NH2-OE2 2.69Å; R829-E898 PolarHBondContact NH2-OE2 3.48Å; R829-M949 HydrophobicContact CB-CE 4.37Å; R829-M949 PolarHBondContact NH1-O 2.87Å; R829-L951 PolarHBondContact NH1-O 3.49Å; R829-L951 PolarHBondContact NH2-O 3.28Å; R829-L951 VanDerWaalsContact NH2-O 3.13Å |
| 830 | Y | 89.6 | Confident | 88 | Confident | 6 Ų | 6 | 27.1 Ų | 27.1 | 2% | 0.024 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -52.7 | 178.5 | 179.5 | -129 | 0 | 0 | 0 | 111.9 | T688 L692 A780 D781 Y784 G826 L827 I828 S832 G833 I834 I890 | T688-Y830 HydrophobicContact CG2-CD1 4.13Å; T688-Y830 HydrophobicContact CG2-CD2 4.17Å; T688-Y830 HydrophobicContact CG2-CE1 3.71Å; T688-Y830 HydrophobicContact CG2-CE2 3.76Å; T688-Y830 HydrophobicContact CG2-CG 4.33Å; T688-Y830 VanDerWaalsContact CG2-CZ 3.5Å; L692-Y830 HydrophobicContact CD1-CE2 4.05Å; L692-Y830 HydrophobicContact CD2-CE2 3.91Å; L692-Y830 HydrophobicContact CG-CE2 4.17Å; A780-Y830 HydrophobicContact CB-CD1 4.38Å; A780-Y830 HydrophobicContact CB-CE1 4.31Å; D781-Y830 WeakPolarHBondContact OD1-CE1 3.11Å; Y784-Y830 WeakPolarHBondContact CD1-OH 3.34Å; G826-Y830 WeakPolarHBondContact O-CB 3.48Å; G826-Y830 PolarHBondContact O-N 2.9Å; L827-Y830 HydrophobicContact CD1-CD1 4.17Å; L827-Y830 WeakPolarHBondContact O-CB 3.49Å; L827-Y830 PolarHBondContact O-N 3.04Å; I828-Y830 VanDerWaalsContact C-N 3.32Å; I828-Y830 PolarHBondContact O-N 3.18Å; Y830-S832 VanDerWaalsContact C-N 3.32Å; Y830-S832 PolarHBondContact O-N 3.36Å; Y830-G833 WeakPolarHBondContact O-CA 3.38Å; Y830-G833 PolarHBondContact O-N 3.35Å; Y830-I834 HydrophobicContact CD1-CD1 4.34Å; Y830-I834 HydrophobicContact CE1-CD1 4.06Å; Y830-I834 HydrophobicContact CE2-CD1 4.32Å; Y830-I834 WeakPolarHBondContact O-CG1 3.38Å; Y830-I834 PolarHBondContact O-N 3.4Å; Y830-I834 VanDerWaalsContact O-N 3.09Å; Y830-I890 HydrophobicContact CD2-CD1 4.05Å; Y830-I890 HydrophobicContact CD2-CG1 4.4Å; Y830-I890 HydrophobicContact CE2-CD1 3.92Å; Y830-I890 HydrophobicContact CE2-CG1 4.48Å |
| 831 | I | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 178.6 | -61 | 164.3 | 0 | 0 | 0 | 111.2 | A780 L812 L815 Y816 A819 L827 G833 I834 L835 | A780-I831 HydrophobicContact CB-CD1 4.45Å; A780-I831 HydrophobicContact CB-CG1 4.24Å; L812-I831 HydrophobicContact CB-CG2 4.49Å; L812-I831 HydrophobicContact CD2-CG2 4.37Å; L812-I831 WeakPolarHBondContact O-CG2 3.17Å; L815-I831 HydrophobicContact CB-CD1 4.26Å; L815-I831 HydrophobicContact CD2-CD1 3.84Å; L815-I831 HydrophobicContact CD2-CG1 4.49Å; L815-I831 HydrophobicContact CG-CD1 3.73Å; Y816-I831 HydrophobicContact CD2-CG2 4.49Å; A819-I831 HydrophobicContact CB-CD1 4.1Å; L827-I831 HydrophobicContact CD1-CD1 3.9Å; L827-I831 HydrophobicContact CD1-CG1 4.06Å; L827-I831 HydrophobicContact CD2-CD1 4.44Å; L827-I831 HydrophobicContact CG-CD1 3.79Å; L827-I831 HydrophobicContact CG-CG1 4.39Å; L827-I831 WeakPolarHBondContact O-CG1 3.4Å; L827-I831 PolarHBondContact O-N 3.18Å; I831-G833 VanDerWaalsContact C-N 3.26Å; I831-G833 PolarHBondContact O-N 3.26Å; I831-I834 PolarHBondContact O-N 3.14Å; I831-I834 VanDerWaalsContact O-N 3.12Å; I831-L835 HydrophobicContact CG2-CD1 3.94Å; I831-L835 HydrophobicContact CG2-CG 4.36Å; I831-L835 PolarHBondContact O-N 3.16Å |
| 832 | S | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -38.1 | 174.3 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | Y531 Y816 I828 R829 Y830 R836 K837 | Y531-S832 WeakPolarHBondContact CE1-OG 3.44Å; Y816-S832 VanDerWaalsContact CE2-OG 3.29Å; Y816-S832 WeakPolarHBondContact CE2-OG 3.5Å; I828-S832 VanDerWaalsContact O-CB 3.25Å; I828-S832 WeakPolarHBondContact O-CB 3.39Å; I828-S832 PolarHBondContact O-N 3.24Å; I828-S832 PolarHBondContact O-OG 2.88Å; R829-S832 PolarHBondContact O-N 2.91Å; Y830-S832 VanDerWaalsContact C-N 3.32Å; Y830-S832 PolarHBondContact O-N 3.36Å; S832-R836 PolarHBondContact O-N 3.38Å; S832-K837 PolarHBondContact O-N 2.94Å |
| 833 | G | 89.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R829 Y830 I831 R836 | R829-G833 PolarHBondContact O-N 3.35Å; Y830-G833 WeakPolarHBondContact O-CA 3.38Å; Y830-G833 PolarHBondContact O-N 3.35Å; I831-G833 VanDerWaalsContact C-N 3.26Å; I831-G833 PolarHBondContact O-N 3.26Å; G833-R836 PolarHBondContact O-N 3.46Å |
| 834 | I | 88.4 | Confident | 87.6 | Confident | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.6 | -48.5 | 179.3 | -58.2 | 170.1 | 0 | 0 | 0 | 110.2 | Y784 Y787 L812 Y830 I831 R836 I890 | Y784-I834 HydrophobicContact CD2-CD1 3.7Å; Y784-I834 HydrophobicContact CD2-CG1 3.73Å; Y784-I834 HydrophobicContact CD2-CG2 4.32Å; Y784-I834 HydrophobicContact CE2-CG1 4.32Å; Y784-I834 HydrophobicContact CG-CD1 4.11Å; Y787-I834 HydrophobicContact CD1-CG2 3.92Å; Y787-I834 HydrophobicContact CD2-CG2 4.02Å; Y787-I834 HydrophobicContact CE1-CG2 4.17Å; Y787-I834 HydrophobicContact CE2-CG2 4.25Å; Y787-I834 HydrophobicContact CG-CG2 3.85Å; Y787-I834 PolarHBondContact OH-O 2.96Å; L812-I834 HydrophobicContact CD1-CG2 3.64Å; L812-I834 HydrophobicContact CD2-CD1 4.3Å; Y830-I834 HydrophobicContact CD1-CD1 4.34Å; Y830-I834 HydrophobicContact CE1-CD1 4.06Å; Y830-I834 HydrophobicContact CE2-CD1 4.32Å; Y830-I834 WeakPolarHBondContact O-CG1 3.38Å; Y830-I834 PolarHBondContact O-N 3.4Å; Y830-I834 VanDerWaalsContact O-N 3.09Å; I831-I834 PolarHBondContact O-N 3.14Å; I831-I834 VanDerWaalsContact O-N 3.12Å; I834-R836 PolarHBondContact O-N 2.75Å; I834-I890 HydrophobicContact CB-CD1 4.37Å; I834-I890 HydrophobicContact CG1-CD1 3.47Å; I834-I890 VanDerWaalsContact CG1-CD1 3.47Å |
| 835 | L | 88.8 | Confident | 87.6 | Confident | 25 Ų | 25 | 22.1 Ų | 22.1 | 13% | 0.131 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -5.5 | 179.3 | -70.5 | 175.5 | 0 | 0 | 0 | 113.6 | R809 L812 E813 I831 K837 | R809-L835 HydrophobicContact CG-CD2 4.27Å; L812-L835 HydrophobicContact CB-CD1 4.3Å; L812-L835 HydrophobicContact CB-CD2 3.71Å; L812-L835 HydrophobicContact CB-CG 4.09Å; L812-L835 HydrophobicContact CD1-CD2 4.26Å; E813-L835 HydrophobicContact CG-CD1 4Å; E813-L835 HydrophobicContact CG-CD2 4.22Å; I831-L835 HydrophobicContact CG2-CD1 3.94Å; I831-L835 HydrophobicContact CG2-CG 4.36Å; I831-L835 PolarHBondContact O-N 3.16Å; L835-K837 HydrophobicContact CB-CG 3.96Å; L835-K837 PolarHBondContact O-N 2.92Å |
| 836 | R | 88.8 | Confident | 87.5 | Confident | 150 Ų | 150 | 21.1 Ų | 21.1 | 57% | 0.566 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.8 | -172.8 | -63.8 | -172.5 | 169.2 | -157.6 | -2.5 | 113.7 | S832 G833 I834 R838 Y883 | S832-R836 PolarHBondContact O-N 3.38Å; G833-R836 PolarHBondContact O-N 3.46Å; I834-R836 PolarHBondContact O-N 2.75Å; R836-R838 PolarHBondContact O-N 2.92Å; R836-Y883 WeakPolarHBondContact CA-OH 3.41Å; R836-Y883 HydrophobicContact CB-CE1 4.48Å; R836-Y883 HydrophobicContact CB-CE2 4.35Å; R836-Y883 HydrophobicContact CG-CD1 4.39Å; R836-Y883 HydrophobicContact CG-CE1 4.07Å |
| 837 | K | 87.3 | Confident | 87.1 | Confident | 34 Ų | 34 | 20.1 Ų | 20.1 | 15% | 0.148 | 9% | 0.091 | C | C | . | . | trans | -62.1 | 136.8 | 179.8 | -74.9 | -164 | 165.1 | -142 | 0 | 110.8 | H528 F530 Y816 S832 L835 Y883 Q897 | H528-K837 PolarHBondContact O-NZ 3.1Å; F530-K837 HydrophobicContact CD2-CB 4.42Å; Y816-K837 HydrophobicContact CD2-CD 4.26Å; Y816-K837 HydrophobicContact CE1-CD 4.3Å; Y816-K837 HydrophobicContact CE2-CD 3.89Å; S832-K837 PolarHBondContact O-N 2.94Å; L835-K837 HydrophobicContact CB-CG 3.96Å; L835-K837 PolarHBondContact O-N 2.92Å; K837-Y883 PolarHBondContact O-OH 3.05Å; K837-Q897 PolarHBondContact O-NE2 2.89Å | ||
| 838 | R | 87.6 | Confident | 86.7 | Confident | 56 Ų | 56 | 20.7 Ų | 20.7 | 21% | 0.211 | 9% | 0.094 | C | C | . | . | trans | -108.7 | 137.7 | 178.6 | -172 | -175.3 | 66.2 | -155.9 | -5.9 | 110.4 | R836 E840 L842 E876 N879 | R836-R838 PolarHBondContact O-N 2.92Å; R838-E840 PolarHBondContact O-N 3.31Å; R838-L842 HydrophobicContact CG-CD2 4.04Å; R838-E876 IonicContact CZ-OE1 3.76Å; R838-E876 VanDerWaalsContact NH1-CD 3.27Å; R838-E876 IonicContact NH1-OE1 2.67Å; R838-E876 PolarHBondContact NH1-OE1 2.64Å; R838-E876 IonicContact NH1-OE2 2.68Å; R838-E876 IonicContact NH2-OE1 3.53Å; R838-N879 HydrophobicContact CG-CB 4.36Å | ||
| 839 | V | 87 | Confident | 86.5 | Confident | 6 Ų | 6 | 20.7 Ų | 20.7 | 4% | 0.036 | 9% | 0.094 | C | C | . | . | trans | -67.9 | 125.1 | 165.1 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | F530 L532 V841 L842 Q897 V901 | F530-V839 HydrophobicContact CD1-CG2 3.72Å; F530-V839 HydrophobicContact CD2-CB 4.46Å; F530-V839 HydrophobicContact CD2-CG2 3.78Å; F530-V839 HydrophobicContact CE1-CG2 3.5Å; F530-V839 HydrophobicContact CE2-CG2 3.54Å; F530-V839 HydrophobicContact CG-CB 4.44Å; F530-V839 HydrophobicContact CG-CG2 3.86Å; F530-V839 HydrophobicContact CZ-CG2 3.39Å; L532-V839 HydrophobicContact CD1-CG1 4.41Å; V839-V841 VanDerWaalsContact C-N 3.32Å; V839-V841 HydrophobicContact CG1-CG2 3.92Å; V839-V841 PolarHBondContact O-N 3.41Å; V839-L842 HydrophobicContact CB-CB 4.26Å; V839-L842 WeakPolarHBondContact O-CB 3.38Å; V839-L842 PolarHBondContact O-N 3.16Å; V839-L842 VanDerWaalsContact O-N 3.16Å; V839-Q897 HydrophobicContact CG2-CB 3.95Å; V839-V901 HydrophobicContact CB-CG2 4.48Å; V839-V901 HydrophobicContact CG1-CG2 3.99Å | ||
| 840 | E | 78.8 | Confident | 85.9 | Confident | 20 Ų | 20 | 22 Ų | 22 | 9% | 0.093 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -41.9 | -174.4 | -68.1 | 178 | 136.1 | 0 | 0 | 113 | H501 Q523 H529 R838 L842 | H501-E840 IonicContact CE1-OE1 2.77Å; H501-E840 PolarHBondContact CE1-OE1 2.95Å; H501-E840 IonicContact ND1-OE1 3.14Å; H501-E840 PolarHBondContact ND1-OE1 3.21Å; H501-E840 IonicContact NE2-OE1 3.65Å; Q523-E840 VanDerWaalsContact CD-OE2 3.31Å; Q523-E840 VanDerWaalsContact CG-OE2 3.29Å; Q523-E840 WeakPolarHBondContact CG-OE2 3.35Å; Q523-E840 PolarHBondContact NE2-OE1 3.29Å; Q523-E840 VanDerWaalsContact NE2-OE1 3.11Å; Q523-E840 PolarHBondContact NE2-OE2 3.48Å; H529-E840 HydrophobicContact CB-CG 3.86Å; H529-E840 IonicContact CD2-OE1 2.78Å; H529-E840 IonicContact CE1-OE1 3.74Å; H529-E840 PolarHBondContact CE1-OE1 2.95Å; H529-E840 IonicContact CG-OE1 2.65Å; H529-E840 IonicContact ND1-OE1 3.41Å; H529-E840 PolarHBondContact ND1-OE1 3.14Å; H529-E840 IonicContact NE2-OE1 3.95Å; R838-E840 PolarHBondContact O-N 3.31Å; E840-L842 PolarHBondContact O-N 3.22Å |
| 841 | V | 81.3 | Confident | 85 | Confident | 58 Ų | 58 | 22 Ų | 22 | 35% | 0.352 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 17 | -178.9 | -61.2 | 0 | 0 | 0 | 0 | 114.2 | V839 E844 A845 V901 | V839-V841 VanDerWaalsContact C-N 3.32Å; V839-V841 HydrophobicContact CG1-CG2 3.92Å; V839-V841 PolarHBondContact O-N 3.41Å; V841-E844 WeakPolarHBondContact CA-OE2 3.14Å; V841-A845 VanDerWaalsContact O-CB 3.32Å; V841-A845 WeakPolarHBondContact O-CB 3.22Å; V841-A845 PolarHBondContact O-N 2.89Å; V841-V901 HydrophobicContact CG2-CG2 4.47Å |
| 842 | L | 87.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.4 | -41.1 | -172 | -173.4 | 69.2 | 0 | 0 | 0 | 112.7 | R838 V839 E840 E844 A845 C846 L878 I882 Q897 M900 V901 | R838-L842 HydrophobicContact CG-CD2 4.04Å; V839-L842 HydrophobicContact CB-CB 4.26Å; V839-L842 WeakPolarHBondContact O-CB 3.38Å; V839-L842 PolarHBondContact O-N 3.16Å; V839-L842 VanDerWaalsContact O-N 3.16Å; E840-L842 PolarHBondContact O-N 3.22Å; L842-E844 VanDerWaalsContact C-N 3.34Å; L842-A845 PolarHBondContact O-N 3.23Å; L842-C846 WeakPolarHBondContact O-CB 3.4Å; L842-C846 PolarHBondContact O-N 2.89Å; L842-L878 HydrophobicContact CD2-CD2 4.19Å; L842-L878 HydrophobicContact CD2-CG 4.3Å; L842-L878 HydrophobicContact CG-CD2 3.91Å; L842-I882 HydrophobicContact CD2-CD1 3.76Å; L842-Q897 HydrophobicContact CD1-CB 3.79Å; L842-Q897 HydrophobicContact CD1-CG 3.94Å; L842-Q897 HydrophobicContact CD2-CG 3.8Å; L842-M900 HydrophobicContact CD1-CB 4.46Å; L842-M900 HydrophobicContact CD1-CE 3.26Å; L842-M900 HydrophobicContact CD2-CE 4.34Å; L842-M900 HydrophobicContact CG-CE 3.73Å; L842-V901 HydrophobicContact CD1-CG2 4.41Å |
| 843 | A | 82.9 | Confident | 83.6 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.4 | -36.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C846 T847 P875 L878 | A843-C846 WeakPolarHBondContact O-CB 3.47Å; A843-C846 PolarHBondContact O-N 3.48Å; A843-T847 WeakPolarHBondContact O-CB 3.45Å; A843-T847 PolarHBondContact O-N 3.02Å; A843-T847 PolarHBondContact O-OG1 3.5Å; A843-P875 HydrophobicContact CB-CB 4.26Å; A843-P875 HydrophobicContact CB-CG 3.79Å; A843-L878 HydrophobicContact CB-CD2 4.47Å |
| 844 | E | 80.1 | Confident | 83.4 | Confident | 47 Ų | 47 | 28.5 Ų | 28.5 | 22% | 0.22 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 172.7 | -62.4 | 80.5 | 178.1 | 0 | 0 | 110.1 | V841 L842 C846 T847 D848 | V841-E844 WeakPolarHBondContact CA-OE2 3.14Å; L842-E844 VanDerWaalsContact C-N 3.34Å; E844-C846 VanDerWaalsContact C-N 3.32Å; E844-C846 PolarHBondContact O-N 3.49Å; E844-T847 CarbonylContact O-C 3.59Å; E844-T847 WeakPolarHBondContact O-CA 3.32Å; E844-T847 WeakPolarHBondContact O-CB 3.45Å; E844-T847 PolarHBondContact O-N 2.63Å; E844-T847 VanDerWaalsContact O-N 3.11Å; E844-D848 PolarHBondContact O-N 3.35Å |
| 845 | A | 87.9 | Confident | 83.2 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.033 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V841 L842 L849 M900 V901 A904 | V841-A845 VanDerWaalsContact O-CB 3.32Å; V841-A845 WeakPolarHBondContact O-CB 3.22Å; V841-A845 PolarHBondContact O-N 2.89Å; L842-A845 PolarHBondContact O-N 3.23Å; A845-L849 WeakPolarHBondContact O-CG 3.46Å; A845-L849 PolarHBondContact O-N 3.48Å; A845-M900 HydrophobicContact CB-CG 4.47Å; A845-V901 HydrophobicContact CB-CG2 4.08Å; A845-A904 HydrophobicContact CB-CB 3.55Å |
| 846 | C | 88.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 173.6 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | L842 A843 E844 L849 I850 L856 L878 M900 | L842-C846 WeakPolarHBondContact O-CB 3.4Å; L842-C846 PolarHBondContact O-N 2.89Å; A843-C846 WeakPolarHBondContact O-CB 3.47Å; A843-C846 PolarHBondContact O-N 3.48Å; E844-C846 VanDerWaalsContact C-N 3.32Å; E844-C846 PolarHBondContact O-N 3.49Å; C846-L849 PolarHBondContact O-N 3.47Å; C846-I850 VanDerWaalsContact O-CG1 3.32Å; C846-I850 WeakPolarHBondContact O-CG1 3.47Å; C846-I850 PolarHBondContact O-N 2.7Å; C846-L856 HydrophobicContact CB-CD1 4.42Å; C846-L878 HydrophobicContact CB-CD2 3.69Å; C846-M900 HydrophobicContact CB-SD 3.98Å |
| 847 | T | 80.8 | Confident | 83.3 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.6 | -49 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | Y176 I241 A843 E844 L849 I850 S851 P872 | Y176-T847 HydrophobicContact CD2-CG2 3.48Å; Y176-T847 VanDerWaalsContact CD2-CG2 3.48Å; Y176-T847 HydrophobicContact CE2-CG2 3.7Å; I241-T847 HydrophobicContact CD1-CG2 4Å; A843-T847 WeakPolarHBondContact O-CB 3.45Å; A843-T847 PolarHBondContact O-N 3.02Å; A843-T847 PolarHBondContact O-OG1 3.5Å; E844-T847 CarbonylContact O-C 3.59Å; E844-T847 WeakPolarHBondContact O-CA 3.32Å; E844-T847 WeakPolarHBondContact O-CB 3.45Å; E844-T847 PolarHBondContact O-N 2.63Å; E844-T847 VanDerWaalsContact O-N 3.11Å; T847-L849 VanDerWaalsContact C-N 3.31Å; T847-L849 PolarHBondContact O-N 3.35Å; T847-I850 PolarHBondContact O-N 3.32Å; T847-S851 VanDerWaalsContact O-CB 3.27Å; T847-S851 WeakPolarHBondContact O-CB 3.34Å; T847-S851 PolarHBondContact O-N 3Å; T847-P872 HydrophobicContact CG2-CB 4.47Å; T847-P872 HydrophobicContact CG2-CG 4.3Å; T847-P872 WeakPolarHBondContact OG1-CB 3.47Å |
| 848 | D | 80.1 | Confident | 83.4 | Confident | 19 Ų | 19 | 19.7 Ų | 19.7 | 10% | 0.102 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -55.7 | -45.8 | 178.6 | -76 | -10.1 | 0 | 0 | 0 | 111.1 | E844 S851 H852 A904 R908 | E844-D848 PolarHBondContact O-N 3.35Å; D848-S851 WeakPolarHBondContact O-CB 3.41Å; D848-S851 PolarHBondContact O-N 3.21Å; D848-S851 PolarHBondContact O-OG 3.17Å; D848-H852 PolarHBondContact O-CD2 3.5Å; D848-H852 PolarHBondContact O-N 2.65Å; D848-A904 HydrophobicContact CB-CB 4.27Å; D848-R908 WeakPolarHBondContact OD2-CD 3.45Å; D848-R908 IonicContact OD2-NE 2.85Å; D848-R908 PolarHBondContact OD2-NE 3.39Å |
| 849 | L | 87.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66 | -46.4 | 179.9 | -69.5 | 166.1 | 0 | 0 | 0 | 112.3 | A845 C846 T847 S851 H852 K854 L856 M900 L903 A904 V907 F914 L920 | A845-L849 WeakPolarHBondContact O-CG 3.46Å; A845-L849 PolarHBondContact O-N 3.48Å; C846-L849 PolarHBondContact O-N 3.47Å; T847-L849 VanDerWaalsContact C-N 3.31Å; T847-L849 PolarHBondContact O-N 3.35Å; L849-S851 VanDerWaalsContact C-N 3.28Å; L849-S851 PolarHBondContact O-N 2.85Å; L849-H852 PolarHBondContact O-N 2.82Å; L849-K854 VanDerWaalsContact O-CB 3.24Å; L849-K854 WeakPolarHBondContact O-CB 3.36Å; L849-K854 PolarHBondContact O-N 3.06Å; L849-K854 VanDerWaalsContact O-N 3.09Å; L849-L856 HydrophobicContact CB-CD1 4Å; L849-L856 HydrophobicContact CB-CD2 3.91Å; L849-L856 HydrophobicContact CB-CG 4.27Å; L849-L856 HydrophobicContact CD1-CD1 3.95Å; L849-L856 HydrophobicContact CD1-CD2 3.82Å; L849-L856 HydrophobicContact CG-CD2 4.39Å; L849-M900 HydrophobicContact CD1-CG 3.94Å; L849-L903 HydrophobicContact CD1-CB 3.9Å; L849-L903 HydrophobicContact CD2-CB 3.83Å; L849-A904 HydrophobicContact CD1-CB 4.39Å; L849-A904 HydrophobicContact CG-CB 4.2Å; L849-V907 HydrophobicContact CD2-CB 4.12Å; L849-V907 HydrophobicContact CD2-CG1 3.93Å; L849-F914 HydrophobicContact CD2-CE1 4.43Å; L849-L920 HydrophobicContact CD2-CD1 3.75Å |
| 850 | I | 80.4 | Confident | 83 | Confident | 27 Ų | 27 | 17 Ų | 17 | 14% | 0.138 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 178.8 | -65.7 | 170.5 | 0 | 0 | 0 | 110.5 | C846 T847 H852 H853 K854 L856 I869 M871 P872 | C846-I850 VanDerWaalsContact O-CG1 3.32Å; C846-I850 WeakPolarHBondContact O-CG1 3.47Å; C846-I850 PolarHBondContact O-N 2.7Å; T847-I850 PolarHBondContact O-N 3.32Å; I850-H852 VanDerWaalsContact C-N 3.28Å; I850-H852 PolarHBondContact O-N 2.81Å; I850-H853 WeakPolarHBondContact O-CA 3.32Å; I850-H853 PolarHBondContact O-N 3.2Å; I850-K854 WeakPolarHBondContact CA-O 3.41Å; I850-L856 HydrophobicContact CG1-CD1 4.35Å; I850-L856 HydrophobicContact CG1-CG 4.41Å; I850-I869 HydrophobicContact CD1-CG2 3.85Å; I850-M871 VanDerWaalsContact CD1-C 3.42Å; I850-P872 HydrophobicContact CB-CG 4.42Å; I850-P872 HydrophobicContact CD1-CB 4.45Å; I850-P872 HydrophobicContact CD1-CG 4.26Å; I850-P872 HydrophobicContact CG2-CG 4.25Å |
| 851 | S | 70.8 | Confident | 82.7 | Confident | 6 Ų | 6 | 17.4 Ų | 17.4 | 4% | 0.042 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.5 | -44.1 | 174.6 | 85.3 | 0 | 0 | 0 | 0 | 111.7 | S244 T847 D848 L849 H853 | S244-S851 WeakPolarHBondContact CB-O 3.33Å; S244-S851 PolarHBondContact OG-O 3.33Å; T847-S851 VanDerWaalsContact O-CB 3.27Å; T847-S851 WeakPolarHBondContact O-CB 3.34Å; T847-S851 PolarHBondContact O-N 3Å; D848-S851 WeakPolarHBondContact O-CB 3.41Å; D848-S851 PolarHBondContact O-N 3.21Å; D848-S851 PolarHBondContact O-OG 3.17Å; L849-S851 VanDerWaalsContact C-N 3.28Å; L849-S851 PolarHBondContact O-N 2.85Å; S851-H853 PolarHBondContact O-N 3.18Å |
| 852 | H | 76.7 | Confident | 81.9 | Confident | 61 Ų | 61 | 19.5 Ų | 19.5 | 28% | 0.282 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 20.1 | 178.8 | -75.5 | -70.5 | 0 | 0 | 0 | 113.1 | D848 L849 I850 K854 V907 | D848-H852 PolarHBondContact O-CD2 3.5Å; D848-H852 PolarHBondContact O-N 2.65Å; L849-H852 PolarHBondContact O-N 2.82Å; I850-H852 VanDerWaalsContact C-N 3.28Å; I850-H852 PolarHBondContact O-N 2.81Å; H852-K854 VanDerWaalsContact C-N 3.3Å; H852-K854 HydrophobicContact CB-CG 4.43Å; H852-K854 VanDerWaalsContact O-CE 3.24Å; H852-K854 WeakPolarHBondContact O-CE 3.33Å; H852-K854 PolarHBondContact O-N 3.42Å; H852-V907 HydrophobicContact CB-CG2 3.58Å |
| 853 | H | 75.5 | Confident | 80.7 | Confident | 49 Ų | 49 | 25.7 Ų | 25.7 | 23% | 0.227 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 38.6 | -178.8 | -53.8 | -75.5 | 0 | 0 | 0 | 112.5 | S244 R248 I850 S851 I1116 | S244-H853 PolarHBondContact O-CD2 3.45Å; S244-H853 PolarHBondContact O-NE2 2.9Å; R248-H853 PolarHBondContact NH2-CD2 3.32Å; R248-H853 PolarHBondContact NH2-CE1 3.2Å; R248-H853 PolarHBondContact NH2-NE2 2.85Å; R248-H853 VanDerWaalsContact NH2-NE2 3.16Å; I850-H853 WeakPolarHBondContact O-CA 3.32Å; I850-H853 PolarHBondContact O-N 3.2Å; S851-H853 PolarHBondContact O-N 3.18Å; H853-I1116 HydrophobicContact CB-CD1 4.44Å; H853-I1116 WeakPolarHBondContact ND1-CD1 3.32Å |
| 854 | K | 84.8 | Confident | 79.8 | Confident | 27 Ų | 27 | 30.7 Ų | 30.7 | 12% | 0.117 | 17% | 0.166 | C | C | . | . | trans | -110.2 | 107 | 173.3 | -47.5 | -61.5 | 161.4 | -176.3 | 0 | 109.6 | L849 I850 H852 F914 M917 L918 L920 | L849-K854 VanDerWaalsContact O-CB 3.24Å; L849-K854 WeakPolarHBondContact O-CB 3.36Å; L849-K854 PolarHBondContact O-N 3.06Å; L849-K854 VanDerWaalsContact O-N 3.09Å; I850-K854 WeakPolarHBondContact CA-O 3.41Å; H852-K854 VanDerWaalsContact C-N 3.3Å; H852-K854 HydrophobicContact CB-CG 4.43Å; H852-K854 VanDerWaalsContact O-CE 3.24Å; H852-K854 WeakPolarHBondContact O-CE 3.33Å; H852-K854 PolarHBondContact O-N 3.42Å; K854-F914 HydrophobicContact CD-CB 4.34Å; K854-F914 PolarHBondContact NZ-O 3.13Å; K854-M917 VanDerWaalsContact CD-O 3.26Å; K854-M917 WeakPolarHBondContact CD-O 3.16Å; K854-M917 PolarHBondContact NZ-O 3.31Å; K854-L918 CarbonylContact C-O 3.57Å; K854-L918 VanDerWaalsContact CA-O 3.3Å; K854-L918 WeakPolarHBondContact CA-O 3.48Å; K854-L920 HydrophobicContact CB-CD1 3.78Å; K854-L920 HydrophobicContact CB-CG 4.05Å; K854-L920 HydrophobicContact CG-CD1 4.17Å | ||
| 855 | Q | 85.3 | Confident | 79.6 | Confident | 28 Ų | 28 | 32.2 Ų | 32.2 | 13% | 0.131 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 147.4 | 166.4 | -70 | -170.9 | -19.2 | 0 | 0 | 109.7 | L918 R919 L920 V1120 | Q855-L918 PolarHBondContact N-O 3.16Å; Q855-R919 HydrophobicContact CB-CB 4.15Å; Q855-R919 HydrophobicContact CB-CG 3.99Å; Q855-R919 CarbonylContact O-C 3.44Å; Q855-R919 VanDerWaalsContact O-CA 3.27Å; Q855-R919 WeakPolarHBondContact O-CA 3.42Å; Q855-R919 VanDerWaalsContact OE1-NE 3.16Å; Q855-L920 PolarHBondContact O-N 3.46Å; Q855-V1120 VanDerWaalsContact NE2-CG2 3.29Å |
| 856 | L | 88.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 148.1 | -179.6 | -58.9 | 177.4 | 0 | 0 | 0 | 110.2 | C846 L849 I850 I869 M900 L920 | C846-L856 HydrophobicContact CB-CD1 4.42Å; L849-L856 HydrophobicContact CB-CD1 4Å; L849-L856 HydrophobicContact CB-CD2 3.91Å; L849-L856 HydrophobicContact CB-CG 4.27Å; L849-L856 HydrophobicContact CD1-CD1 3.95Å; L849-L856 HydrophobicContact CD1-CD2 3.82Å; L849-L856 HydrophobicContact CG-CD2 4.39Å; I850-L856 HydrophobicContact CG1-CD1 4.35Å; I850-L856 HydrophobicContact CG1-CG 4.41Å; L856-I869 HydrophobicContact CB-CB 4.2Å; L856-I869 HydrophobicContact CB-CD1 4.46Å; L856-I869 PolarHBondContact N-O 3.33Å; L856-I869 PolarHBondContact O-N 3.44Å; L856-M900 HydrophobicContact CD1-SD 3.79Å; L856-L920 WeakPolarHBondContact CA-O 3.38Å; L856-L920 HydrophobicContact CD2-CB 3.79Å; L856-L920 HydrophobicContact CD2-CD1 3.85Å; L856-L920 HydrophobicContact CD2-CG 4.26Å |
| 857 | T | 89.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.6 | 161.9 | 74.5 | 0 | 0 | 0 | 0 | 110.9 | E866 R867 V868 R919 L920 R921 I922 | T857-E866 WeakPolarHBondContact CB-OE1 3.4Å; T857-E866 HydrophobicContact CG2-CG 4.28Å; T857-E866 PolarHBondContact OG1-OE1 3.36Å; T857-R867 CarbonylContact C-O 3.3Å; T857-R867 WeakPolarHBondContact CA-O 3.36Å; T857-R867 WeakPolarHBondContact CB-O 3.48Å; T857-V868 HydrophobicContact CG2-CB 4.31Å; T857-V868 HydrophobicContact CG2-CG1 4.29Å; T857-V868 HydrophobicContact CG2-CG2 3.94Å; T857-R919 HydrophobicContact CG2-CG 4.07Å; T857-L920 PolarHBondContact N-O 2.65Å; T857-R921 HydrophobicContact CG2-CG 4.24Å; T857-R921 WeakPolarHBondContact OG1-CA 3.3Å; T857-R921 WeakPolarHBondContact OG1-CB 3.44Å; T857-R921 WeakPolarHBondContact OG1-CG 3.32Å; T857-I922 WeakPolarHBondContact O-CB 3.35Å; T857-I922 PolarHBondContact O-N 2.84Å; T857-I922 VanDerWaalsContact O-N 3.07Å |
| 858 | V | 90.9 | Very high | 79.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 153.1 | 177.9 | -63.7 | 0 | 0 | 0 | 0 | 109.6 | E866 R867 I869 L881 I882 A885 T896 I922 | V858-E866 CarbonylContact O-C 3.52Å; V858-E866 WeakPolarHBondContact O-CA 3.46Å; V858-R867 HydrophobicContact CG2-CB 4.1Å; V858-R867 PolarHBondContact N-O 3.18Å; V858-R867 PolarHBondContact O-N 3.42Å; V858-I869 HydrophobicContact CG1-CD1 3.82Å; V858-I869 HydrophobicContact CG2-CD1 4.25Å; V858-L881 HydrophobicContact CG2-CD2 4.26Å; V858-L881 HydrophobicContact CG2-CG 4.21Å; V858-I882 HydrophobicContact CB-CG1 4.45Å; V858-I882 HydrophobicContact CG1-CG1 4.11Å; V858-A885 HydrophobicContact CB-CB 4.46Å; V858-A885 HydrophobicContact CG2-CB 3.87Å; V858-T896 HydrophobicContact CB-CG2 4.1Å; V858-T896 HydrophobicContact CG1-CG2 3.78Å; V858-I922 HydrophobicContact CG1-CD1 4.22Å |
| 859 | G | 85.1 | Confident | 79.8 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 85.6 | 167.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G923 | G859-G923 VanDerWaalsContact O-CA 3.3Å; G859-G923 WeakPolarHBondContact O-CA 3.45Å |
| 860 | L | 81.2 | Confident | 79.1 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -89.7 | 139.1 | -179.8 | -67.7 | 173.1 | 0 | 0 | 0 | 111 | T706 R865 I892 G923 M926 Q927 | T706-L860 HydrophobicContact CG2-CD1 3.79Å; L860-R865 VanDerWaalsContact O-CB 3.3Å; L860-R865 WeakPolarHBondContact O-CB 3.34Å; L860-I892 HydrophobicContact CD1-CD1 4.05Å; L860-G923 WeakPolarHBondContact CD2-O 3.29Å; L860-M926 HydrophobicContact CD2-CE 4.45Å; L860-Q927 HydrophobicContact CD2-CG 3.89Å |
| 861 | P | 71.2 | Confident | 78.6 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -69.6 | 161.3 | 177.4 | 28.8 | -34.6 | 0 | 0 | 0 | 112.9 | L924 | P861-L924 HydrophobicContact CG-CD2 3.52Å; P861-L924 HydrophobicContact CG-CG 3.91Å |
| 862 | P | 66.1 | Low | 78.6 | Confident | 103 Ų | 103 | 46.5 Ų | 46.5 | 67% | 0.669 | 24% | 0.241 | S | C | * | . | S | Bend | cis | -85.2 | 174.9 | -2.4 | 34.2 | -35 | 0 | 0 | 0 | 113.8 | R865 | P862-R865 PolarHBondContact O-N 3.13Š|
| 863 | E | 60.7 | Low | 78.6 | Confident | 131 Ų | 131 | 45.2 Ų | 45.2 | 61% | 0.612 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 143.7 | 169.1 | -67.5 | -175.3 | 179.2 | 0 | 0 | 111.1 | ||
| 864 | P | 65.7 | Low | 78.5 | Confident | 107 Ų | 107 | 44.2 Ų | 44.2 | 70% | 0.695 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -93.2 | 8.7 | 13.4 | 37.4 | -37.5 | 0 | 0 | 0 | 115.3 | R867 | P864-R867 PolarHBondContact O-NE 2.96Š|
| 865 | R | 74.5 | Confident | 78.2 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 30% | 0.302 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -75.5 | -37.4 | -178.7 | -68.9 | 177.7 | 65 | 177.2 | 4.8 | 112.4 | T706 L860 P862 | T706-R865 PolarHBondContact OG1-NH1 3.37Å; T706-R865 PolarHBondContact OG1-NH2 2.66Å; L860-R865 VanDerWaalsContact O-CB 3.3Å; L860-R865 WeakPolarHBondContact O-CB 3.34Å; P862-R865 PolarHBondContact O-N 3.13Å |
| 866 | E | 84.7 | Confident | 78 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -74.2 | 127.6 | 168 | -175.7 | 174.7 | -160.1 | 0 | 0 | 109.5 | T857 V858 R921 | T857-E866 WeakPolarHBondContact CB-OE1 3.4Å; T857-E866 HydrophobicContact CG2-CG 4.28Å; T857-E866 PolarHBondContact OG1-OE1 3.36Å; V858-E866 CarbonylContact O-C 3.52Å; V858-E866 WeakPolarHBondContact O-CA 3.46Å; E866-R921 IonicContact OE1-CZ 2.77Å; E866-R921 IonicContact OE1-NE 3.51Å; E866-R921 PolarHBondContact OE1-NE 2.86Å; E866-R921 IonicContact OE1-NH2 2.69Å; E866-R921 PolarHBondContact OE1-NH2 3.39Å; E866-R921 IonicContact OE2-CZ 2.88Å; E866-R921 IonicContact OE2-NE 2.63Å; E866-R921 IonicContact OE2-NH2 3.64Å; E866-R921 PolarHBondContact OE2-NH2 3Å |
| 867 | R | 86.4 | Confident | 77.7 | Confident | 112 Ų | 112 | 54.5 Ų | 54.5 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.2 | 178.1 | -62.3 | -60.1 | -168.4 | 110.4 | 12.5 | 109.8 | T857 V858 P864 L881 A885 | T857-R867 CarbonylContact C-O 3.3Å; T857-R867 WeakPolarHBondContact CA-O 3.36Å; T857-R867 WeakPolarHBondContact CB-O 3.48Å; V858-R867 HydrophobicContact CG2-CB 4.1Å; V858-R867 PolarHBondContact N-O 3.18Å; V858-R867 PolarHBondContact O-N 3.42Å; P864-R867 PolarHBondContact O-NE 2.96Å; R867-L881 HydrophobicContact CB-CD1 4Å; R867-L881 HydrophobicContact CB-CG 4.41Å; R867-L881 HydrophobicContact CG-CD1 4.06Å; R867-A885 HydrophobicContact CB-CB 4.42Å; R867-A885 HydrophobicContact CG-CB 3.99Å |
| 868 | V | 85.4 | Confident | 77.7 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 32% | 0.315 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 131.8 | 178.6 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | T857 T870 | T857-V868 HydrophobicContact CG2-CB 4.31Å; T857-V868 HydrophobicContact CG2-CG1 4.29Å; T857-V868 HydrophobicContact CG2-CG2 3.94Å; V868-T870 HydrophobicContact CG1-CG2 3.76Å |
| 869 | I | 85.6 | Confident | 77.6 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 109.6 | 170.3 | -55.5 | 167.6 | 0 | 0 | 0 | 106.7 | I850 L856 V858 M871 L873 L878 L881 | I850-I869 HydrophobicContact CD1-CG2 3.85Å; L856-I869 HydrophobicContact CB-CB 4.2Å; L856-I869 HydrophobicContact CB-CD1 4.46Å; L856-I869 PolarHBondContact N-O 3.33Å; L856-I869 PolarHBondContact O-N 3.44Å; V858-I869 HydrophobicContact CG1-CD1 3.82Å; V858-I869 HydrophobicContact CG2-CD1 4.25Å; I869-M871 WeakPolarHBondContact CG2-O 3.42Å; I869-L873 HydrophobicContact CG1-CD1 4.42Å; I869-L873 HydrophobicContact CG2-CD1 4.12Å; I869-L873 HydrophobicContact CG2-CG 4.23Å; I869-L878 HydrophobicContact CD1-CD1 3.62Å; I869-L881 HydrophobicContact CD1-CD2 3.98Å; I869-L881 HydrophobicContact CG1-CD2 3.58Å |
| 870 | T | 71.4 | Confident | 77.8 | Confident | 83 Ų | 83 | 58.3 Ų | 58.3 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | trans | -99.8 | -16.6 | -176.3 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | V868 | V868-T870 HydrophobicContact CG1-CG2 3.76Š| ||
| 871 | M | 70.3 | Confident | 78.3 | Confident | 84 Ų | 84 | 59.4 Ų | 59.4 | 41% | 0.414 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -143.6 | 154.4 | 179.3 | 55.8 | -177.7 | 50.2 | 0 | 0 | 109.5 | A179 I850 I869 L873 | A179-M871 HydrophobicContact CB-CE 4.21Å; I850-M871 VanDerWaalsContact CD1-C 3.42Å; I869-M871 WeakPolarHBondContact CG2-O 3.42Å; M871-L873 PolarHBondContact O-N 3.06Å |
| 872 | P | 71.6 | Confident | 79.2 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | trans | -63.1 | 135.3 | 177.5 | -11.7 | 26.3 | 0 | 0 | 0 | 109.6 | K177 T847 I850 | K177-P872 HydrophobicContact CB-CB 3.66Å; K177-P872 HydrophobicContact CB-CG 3.78Å; T847-P872 HydrophobicContact CG2-CB 4.47Å; T847-P872 HydrophobicContact CG2-CG 4.3Å; T847-P872 WeakPolarHBondContact OG1-CB 3.47Å; I850-P872 HydrophobicContact CB-CG 4.42Å; I850-P872 HydrophobicContact CD1-CB 4.45Å; I850-P872 HydrophobicContact CD1-CG 4.26Å; I850-P872 HydrophobicContact CG2-CG 4.25Å | ||
| 873 | L | 75.9 | Confident | 80.3 | Confident | 35 Ų | 35 | 54 Ų | 54 | 18% | 0.183 | 28% | 0.277 | C | S | . | . | trans | -105.5 | 152.5 | -176.4 | -64.9 | 174.9 | 0 | 0 | 0 | 110.5 | I869 M871 L878 L881 | I869-L873 HydrophobicContact CG1-CD1 4.42Å; I869-L873 HydrophobicContact CG2-CD1 4.12Å; I869-L873 HydrophobicContact CG2-CG 4.23Å; M871-L873 PolarHBondContact O-N 3.06Å; L873-L878 HydrophobicContact CB-CB 4.1Å; L873-L878 HydrophobicContact CD1-CD1 4.4Å; L873-L881 HydrophobicContact CD1-CD2 3.74Å | ||
| 874 | P | 73.7 | Confident | 81.6 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | trans | -53.4 | 147.8 | 167.3 | -25.2 | 34.8 | 0 | 0 | 0 | 111.7 | E876 E877 L878 | P874-E876 VanDerWaalsContact C-N 3.3Å; P874-E876 PolarHBondContact O-N 3.19Å; P874-E877 HydrophobicContact CB-CB 4.42Å; P874-E877 HydrophobicContact CB-CG 4.29Å; P874-E877 HydrophobicContact CG-CG 4.33Å; P874-E877 PolarHBondContact O-N 3.05Å; P874-L878 WeakPolarHBondContact O-CB 3.26Å; P874-L878 PolarHBondContact O-N 3.25Å | ||
| 875 | P | 78.4 | Confident | 82.7 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53.4 | -39.5 | -175.8 | -28.4 | 34.1 | 0 | 0 | 0 | 115.1 | A843 N879 | A843-P875 HydrophobicContact CB-CB 4.26Å; A843-P875 HydrophobicContact CB-CG 3.79Å; P875-N879 WeakPolarHBondContact O-CB 3.39Å; P875-N879 PolarHBondContact O-N 3.36Å; P875-N879 VanDerWaalsContact O-N 3.08Å |
| 876 | E | 79.7 | Confident | 83.2 | Confident | 115 Ų | 115 | 45 Ų | 45 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.6 | -41.9 | 179.4 | -62.1 | -50.4 | 141.7 | 0 | 0 | 113 | R838 P874 N879 T880 | R838-E876 IonicContact CZ-OE1 3.76Å; R838-E876 VanDerWaalsContact NH1-CD 3.27Å; R838-E876 IonicContact NH1-OE1 2.67Å; R838-E876 PolarHBondContact NH1-OE1 2.64Å; R838-E876 IonicContact NH1-OE2 2.68Å; R838-E876 IonicContact NH2-OE1 3.53Å; P874-E876 VanDerWaalsContact C-N 3.3Å; P874-E876 PolarHBondContact O-N 3.19Å; E876-N879 PolarHBondContact O-N 3.11Å; E876-T880 WeakPolarHBondContact O-CB 3.33Å; E876-T880 PolarHBondContact O-N 3.19Å; E876-T880 PolarHBondContact O-OG1 2.74Å |
| 877 | E | 84.4 | Confident | 82.8 | Confident | 111 Ų | 111 | 46.4 Ų | 46.4 | 52% | 0.519 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 176.4 | -67.5 | -175.2 | -162.4 | 0 | 0 | 111 | P874 T880 L881 | P874-E877 HydrophobicContact CB-CB 4.42Å; P874-E877 HydrophobicContact CB-CG 4.29Å; P874-E877 HydrophobicContact CG-CG 4.33Å; P874-E877 PolarHBondContact O-N 3.05Å; E877-T880 PolarHBondContact O-N 3.13Å; E877-L881 VanDerWaalsContact O-CB 3.29Å; E877-L881 WeakPolarHBondContact O-CB 3.34Å; E877-L881 PolarHBondContact O-N 3.32Å |
| 878 | L | 88.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 176.6 | -178 | 58 | 0 | 0 | 0 | 111.6 | L842 A843 C846 I869 L873 P874 L881 I882 M900 | L842-L878 HydrophobicContact CD2-CD2 4.19Å; L842-L878 HydrophobicContact CD2-CG 4.3Å; L842-L878 HydrophobicContact CG-CD2 3.91Å; A843-L878 HydrophobicContact CB-CD2 4.47Å; C846-L878 HydrophobicContact CB-CD2 3.69Å; I869-L878 HydrophobicContact CD1-CD1 3.62Å; L873-L878 HydrophobicContact CB-CB 4.1Å; L873-L878 HydrophobicContact CD1-CD1 4.4Å; P874-L878 WeakPolarHBondContact O-CB 3.26Å; P874-L878 PolarHBondContact O-N 3.25Å; L878-L881 PolarHBondContact O-N 3.27Å; L878-I882 HydrophobicContact CD1-CD1 4.13Å; L878-I882 HydrophobicContact CD1-CG1 4.44Å; L878-I882 HydrophobicContact CG-CD1 4.05Å; L878-I882 WeakPolarHBondContact O-CD1 3.35Å; L878-I882 VanDerWaalsContact O-CG1 3.27Å; L878-I882 WeakPolarHBondContact O-CG1 3.37Å; L878-I882 PolarHBondContact O-N 3.06Å; L878-M900 HydrophobicContact CD1-CE 4.33Å; L878-M900 HydrophobicContact CD2-CE 4.17Å; L878-M900 HydrophobicContact CG-CE 4.47Å |
| 879 | N | 88.9 | Confident | 81.6 | Confident | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -48.3 | 178.6 | -168.2 | 42.1 | 0 | 0 | 0 | 110.8 | R838 P875 E876 L881 I882 Y883 | R838-N879 HydrophobicContact CG-CB 4.36Å; P875-N879 WeakPolarHBondContact O-CB 3.39Å; P875-N879 PolarHBondContact O-N 3.36Å; P875-N879 VanDerWaalsContact O-N 3.08Å; E876-N879 PolarHBondContact O-N 3.11Å; N879-L881 VanDerWaalsContact C-N 3.34Å; N879-L881 PolarHBondContact O-N 3.48Å; N879-I882 PolarHBondContact O-N 3Å; N879-Y883 WeakPolarHBondContact O-CD2 3.43Å; N879-Y883 PolarHBondContact O-N 2.94Å; N879-Y883 VanDerWaalsContact O-N 3.1Å; N879-Y883 VanDerWaalsContact OD1-CE2 3.28Å; N879-Y883 WeakPolarHBondContact OD1-CE2 3.29Å |
| 880 | T | 89.5 | Confident | 81.4 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 178 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | E876 E877 I882 Y883 E884 | E876-T880 WeakPolarHBondContact O-CB 3.33Å; E876-T880 PolarHBondContact O-N 3.19Å; E876-T880 PolarHBondContact O-OG1 2.74Å; E877-T880 PolarHBondContact O-N 3.13Å; T880-I882 VanDerWaalsContact C-N 3.35Å; T880-I882 PolarHBondContact O-N 3.29Å; T880-Y883 PolarHBondContact O-N 3.47Å; T880-E884 HydrophobicContact CG2-CG 4.36Å; T880-E884 WeakPolarHBondContact O-CB 3.16Å; T880-E884 WeakPolarHBondContact O-CG 3.45Å; T880-E884 PolarHBondContact O-N 3.4Å |
| 881 | L | 90.6 | Very high | 82.1 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 15% | 0.152 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 178.1 | -175.8 | 72.3 | 0 | 0 | 0 | 112.7 | V858 R867 I869 L873 E877 L878 N879 E884 A885 | V858-L881 HydrophobicContact CG2-CD2 4.26Å; V858-L881 HydrophobicContact CG2-CG 4.21Å; R867-L881 HydrophobicContact CB-CD1 4Å; R867-L881 HydrophobicContact CB-CG 4.41Å; R867-L881 HydrophobicContact CG-CD1 4.06Å; I869-L881 HydrophobicContact CD1-CD2 3.98Å; I869-L881 HydrophobicContact CG1-CD2 3.58Å; L873-L881 HydrophobicContact CD1-CD2 3.74Å; E877-L881 VanDerWaalsContact O-CB 3.29Å; E877-L881 WeakPolarHBondContact O-CB 3.34Å; E877-L881 PolarHBondContact O-N 3.32Å; L878-L881 PolarHBondContact O-N 3.27Å; N879-L881 VanDerWaalsContact C-N 3.34Å; N879-L881 PolarHBondContact O-N 3.48Å; L881-E884 PolarHBondContact O-N 3.33Å; L881-A885 VanDerWaalsContact O-CB 3.24Å; L881-A885 WeakPolarHBondContact O-CB 3.31Å; L881-A885 PolarHBondContact O-N 3.1Å |
| 882 | I | 91.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -46 | 179.7 | -69.1 | 163.3 | 0 | 0 | 0 | 111 | L842 V858 L878 N879 T880 A885 S886 A893 T896 Q897 M900 | L842-I882 HydrophobicContact CD2-CD1 3.76Å; V858-I882 HydrophobicContact CB-CG1 4.45Å; V858-I882 HydrophobicContact CG1-CG1 4.11Å; L878-I882 HydrophobicContact CD1-CD1 4.13Å; L878-I882 HydrophobicContact CD1-CG1 4.44Å; L878-I882 HydrophobicContact CG-CD1 4.05Å; L878-I882 WeakPolarHBondContact O-CD1 3.35Å; L878-I882 VanDerWaalsContact O-CG1 3.27Å; L878-I882 WeakPolarHBondContact O-CG1 3.37Å; L878-I882 PolarHBondContact O-N 3.06Å; N879-I882 PolarHBondContact O-N 3Å; T880-I882 VanDerWaalsContact C-N 3.35Å; T880-I882 PolarHBondContact O-N 3.29Å; I882-A885 PolarHBondContact O-N 3.13Å; I882-S886 WeakPolarHBondContact O-CB 3.34Å; I882-S886 PolarHBondContact O-N 2.74Å; I882-S886 PolarHBondContact O-OG 3.24Å; I882-A893 HydrophobicContact CG2-CB 4.04Å; I882-T896 HydrophobicContact CG2-CG2 4.02Å; I882-Q897 HydrophobicContact CD1-CG 4.06Å; I882-Q897 HydrophobicContact CG2-CG 4.37Å; I882-M900 HydrophobicContact CD1-CE 3.71Å |
| 883 | Y | 89.4 | Confident | 83.8 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.8 | -84.5 | -84 | 0 | 0 | 0 | 111.5 | R836 K837 N879 T880 S886 G887 A893 | R836-Y883 WeakPolarHBondContact CA-OH 3.41Å; R836-Y883 HydrophobicContact CB-CE1 4.48Å; R836-Y883 HydrophobicContact CB-CE2 4.35Å; R836-Y883 HydrophobicContact CG-CD1 4.39Å; R836-Y883 HydrophobicContact CG-CE1 4.07Å; K837-Y883 PolarHBondContact O-OH 3.05Å; N879-Y883 WeakPolarHBondContact O-CD2 3.43Å; N879-Y883 PolarHBondContact O-N 2.94Å; N879-Y883 VanDerWaalsContact O-N 3.1Å; N879-Y883 VanDerWaalsContact OD1-CE2 3.28Å; N879-Y883 WeakPolarHBondContact OD1-CE2 3.29Å; T880-Y883 PolarHBondContact O-N 3.47Å; Y883-S886 PolarHBondContact O-N 2.91Å; Y883-G887 PolarHBondContact O-N 2.99Å; Y883-A893 HydrophobicContact CD1-CB 3.64Å; Y883-A893 HydrophobicContact CD2-CB 4.34Å; Y883-A893 HydrophobicContact CE1-CB 3.63Å; Y883-A893 HydrophobicContact CE2-CB 4.32Å; Y883-A893 HydrophobicContact CG-CB 4.01Å |
| 884 | E | 88.2 | Confident | 84.6 | Confident | 120 Ų | 120 | 35.7 Ų | 35.7 | 56% | 0.561 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -62.7 | -44.6 | 174.9 | -74.8 | -177.9 | -179.1 | 0 | 0 | 112.6 | T880 L881 S886 G887 | T880-E884 HydrophobicContact CG2-CG 4.36Å; T880-E884 WeakPolarHBondContact O-CB 3.16Å; T880-E884 WeakPolarHBondContact O-CG 3.45Å; T880-E884 PolarHBondContact O-N 3.4Å; L881-E884 PolarHBondContact O-N 3.33Å; E884-S886 VanDerWaalsContact C-N 3.29Å; E884-S886 PolarHBondContact O-N 2.84Å; E884-G887 PolarHBondContact O-N 3.31Å |
| 885 | A | 87.7 | Confident | 85.5 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.5 | -28.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V858 R867 L881 I882 G887 | V858-A885 HydrophobicContact CB-CB 4.46Å; V858-A885 HydrophobicContact CG2-CB 3.87Å; R867-A885 HydrophobicContact CB-CB 4.42Å; R867-A885 HydrophobicContact CG-CB 3.99Å; L881-A885 VanDerWaalsContact O-CB 3.24Å; L881-A885 WeakPolarHBondContact O-CB 3.31Å; L881-A885 PolarHBondContact O-N 3.1Å; I882-A885 PolarHBondContact O-N 3.13Å; A885-G887 VanDerWaalsContact C-N 3.29Å |
| 886 | S | 84.4 | Confident | 86.3 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -77.3 | -15.6 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 112.8 | I882 Y883 E884 Q888 A893 | I882-S886 WeakPolarHBondContact O-CB 3.34Å; I882-S886 PolarHBondContact O-N 2.74Å; I882-S886 PolarHBondContact O-OG 3.24Å; Y883-S886 PolarHBondContact O-N 2.91Å; E884-S886 VanDerWaalsContact C-N 3.29Å; E884-S886 PolarHBondContact O-N 2.84Å; S886-Q888 PolarHBondContact O-N 3.32Å; S886-A893 VanDerWaalsContact OG-CA 3.27Å; S886-A893 WeakPolarHBondContact OG-CA 3.32Å; S886-A893 PolarHBondContact OG-N 3.31Å |
| 887 | G | 77.3 | Confident | 87 | Confident | 39 Ų | 39 | 26.8 Ų | 26.8 | 40% | 0.402 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | -122.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y883 E884 A885 | Y883-G887 PolarHBondContact O-N 2.99Å; E884-G887 PolarHBondContact O-N 3.31Å; A885-G887 VanDerWaalsContact C-N 3.29Å |
| 888 | Q | 70.9 | Confident | 87.4 | Confident | 70 Ų | 70 | 21.5 Ų | 21.5 | 33% | 0.327 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -7.1 | -178.5 | -52.5 | -68.3 | -53.7 | 0 | 0 | 113.1 | M703 S886 I890 | M703-Q888 HydrophobicContact CE-CB 3.18Å; M703-Q888 HydrophobicContact CE-CG 3.17Å; S886-Q888 PolarHBondContact O-N 3.32Å; Q888-I890 VanDerWaalsContact C-N 3.31Å; Q888-I890 PolarHBondContact O-N 2.55Å; Q888-I890 VanDerWaalsContact O-N 3.1Å |
| 889 | D | 75 | Confident | 87.7 | Confident | 43 Ų | 43 | 21.5 Ų | 21.5 | 23% | 0.23 | 12% | 0.121 | C | C | . | . | trans | -85.5 | 83.6 | 174.2 | -162.9 | -29.3 | 0 | 0 | 0 | 108.4 | S891 I892 | D889-S891 PolarHBondContact O-N 3.36Å; D889-S891 PolarHBondContact OD1-N 3.14Å; D889-I892 HydrophobicContact CB-CB 4.31Å; D889-I892 HydrophobicContact CB-CD1 3.75Å; D889-I892 HydrophobicContact CB-CG1 3.95Å; D889-I892 WeakPolarHBondContact O-CB 3.1Å; D889-I892 PolarHBondContact O-N 3.37Å; D889-I892 VanDerWaalsContact O-N 3.13Å; D889-I892 PolarHBondContact OD1-N 2.91Å; D889-I892 WeakPolarHBondContact OD2-CD1 3.44Å | ||
| 890 | I | 81.7 | Confident | 88 | Confident | 27 Ų | 27 | 20.7 Ų | 20.7 | 14% | 0.138 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.9 | -25.1 | -177.8 | 53.7 | 173.8 | 0 | 0 | 0 | 112.7 | L692 Y784 Y830 I834 Q888 A893 | L692-I890 HydrophobicContact CD2-CD1 4.38Å; L692-I890 HydrophobicContact CD2-CG1 4.44Å; Y784-I890 HydrophobicContact CE2-CD1 4.21Å; Y830-I890 HydrophobicContact CD2-CD1 4.05Å; Y830-I890 HydrophobicContact CD2-CG1 4.4Å; Y830-I890 HydrophobicContact CE2-CD1 3.92Å; Y830-I890 HydrophobicContact CE2-CG1 4.48Å; I834-I890 HydrophobicContact CB-CD1 4.37Å; I834-I890 HydrophobicContact CG1-CD1 3.47Å; I834-I890 VanDerWaalsContact CG1-CD1 3.47Å; Q888-I890 VanDerWaalsContact C-N 3.31Å; Q888-I890 PolarHBondContact O-N 2.55Å; Q888-I890 VanDerWaalsContact O-N 3.1Å; I890-A893 WeakPolarHBondContact O-CB 3.24Å; I890-A893 PolarHBondContact O-N 3.03Å |
| 891 | S | 85.9 | Confident | 88.2 | Confident | 11 Ų | 11 | 18.1 Ų | 18.1 | 8% | 0.077 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -77.9 | -28.7 | -179.7 | -48.2 | 0 | 0 | 0 | 0 | 111.8 | D889 A893 V894 L895 | D889-S891 PolarHBondContact O-N 3.36Å; D889-S891 PolarHBondContact OD1-N 3.14Å; S891-A893 VanDerWaalsContact C-N 3.29Å; S891-A893 PolarHBondContact O-N 2.91Å; S891-V894 PolarHBondContact O-N 2.89Å; S891-L895 PolarHBondContact O-N 3.07Å |
| 892 | I | 87.1 | Confident | 88.4 | Confident | 6 Ų | 6 | 16.7 Ų | 16.7 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.3 | -35 | 171.3 | -68.1 | 179.5 | 0 | 0 | 0 | 111.2 | M708 L860 D889 V894 L895 T896 M926 | M708-I892 HydrophobicContact CE-CD1 4.04Å; M708-I892 HydrophobicContact CE-CG1 3.82Å; M708-I892 HydrophobicContact CG-CD1 3.98Å; M708-I892 HydrophobicContact SD-CD1 3.84Å; M708-I892 HydrophobicContact SD-CG1 4Å; L860-I892 HydrophobicContact CD1-CD1 4.05Å; D889-I892 HydrophobicContact CB-CB 4.31Å; D889-I892 HydrophobicContact CB-CD1 3.75Å; D889-I892 HydrophobicContact CB-CG1 3.95Å; D889-I892 WeakPolarHBondContact O-CB 3.1Å; D889-I892 PolarHBondContact O-N 3.37Å; D889-I892 VanDerWaalsContact O-N 3.13Å; D889-I892 PolarHBondContact OD1-N 2.91Å; D889-I892 WeakPolarHBondContact OD2-CD1 3.44Å; I892-V894 VanDerWaalsContact C-N 3.32Å; I892-V894 PolarHBondContact O-N 3.42Å; I892-L895 PolarHBondContact O-N 3.28Å; I892-T896 WeakPolarHBondContact O-CB 3.17Å; I892-T896 PolarHBondContact O-N 3.23Å; I892-T896 PolarHBondContact O-OG1 3.3Å; I892-M926 HydrophobicContact CG2-CE 3.94Å; I892-M926 HydrophobicContact CG2-SD 4.33Å |
| 893 | A | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I882 Y883 S886 I890 S891 T896 Q897 | I882-A893 HydrophobicContact CG2-CB 4.04Å; Y883-A893 HydrophobicContact CD1-CB 3.64Å; Y883-A893 HydrophobicContact CD2-CB 4.34Å; Y883-A893 HydrophobicContact CE1-CB 3.63Å; Y883-A893 HydrophobicContact CE2-CB 4.32Å; Y883-A893 HydrophobicContact CG-CB 4.01Å; S886-A893 VanDerWaalsContact OG-CA 3.27Å; S886-A893 WeakPolarHBondContact OG-CA 3.32Å; S886-A893 PolarHBondContact OG-N 3.31Å; I890-A893 WeakPolarHBondContact O-CB 3.24Å; I890-A893 PolarHBondContact O-N 3.03Å; S891-A893 VanDerWaalsContact C-N 3.29Å; S891-A893 PolarHBondContact O-N 2.91Å; A893-T896 WeakPolarHBondContact O-CB 3.45Å; A893-T896 PolarHBondContact O-N 2.96Å; A893-Q897 WeakPolarHBondContact O-CG 3.45Å; A893-Q897 PolarHBondContact O-N 3.21Å; A893-Q897 VanDerWaalsContact O-N 3.12Å |
| 894 | V | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.8 | -175.1 | 0 | 0 | 0 | 0 | 111.2 | F530 Y531 R829 S891 I892 T896 Q897 E898 | F530-V894 HydrophobicContact CE2-CG1 4.3Å; F530-V894 HydrophobicContact CZ-CG1 3.87Å; Y531-V894 HydrophobicContact CE1-CG1 4.05Å; Y531-V894 WeakPolarHBondContact OH-CG1 3.42Å; R829-V894 HydrophobicContact CG-CG1 4.17Å; S891-V894 PolarHBondContact O-N 2.89Å; I892-V894 VanDerWaalsContact C-N 3.32Å; I892-V894 PolarHBondContact O-N 3.42Å; V894-T896 VanDerWaalsContact C-N 3.3Å; V894-T896 PolarHBondContact O-N 3.46Å; V894-Q897 WeakPolarHBondContact O-CB 3.31Å; V894-Q897 PolarHBondContact O-N 2.89Å; V894-E898 PolarHBondContact O-N 3.39Å |
| 895 | L | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64 | -35.3 | 176.9 | -177.1 | 59.6 | 0 | 0 | 0 | 112.5 | M708 S891 I892 Q897 E898 I899 M926 L948 M949 M956 | M708-L895 HydrophobicContact CE-CD2 4.32Å; S891-L895 PolarHBondContact O-N 3.07Å; I892-L895 PolarHBondContact O-N 3.28Å; L895-Q897 VanDerWaalsContact C-N 3.33Å; L895-E898 PolarHBondContact O-N 3.24Å; L895-I899 HydrophobicContact CD1-CD1 4.09Å; L895-I899 HydrophobicContact CD1-CG1 4.24Å; L895-I899 HydrophobicContact CD2-CD1 4.49Å; L895-I899 HydrophobicContact CG-CD1 3.91Å; L895-I899 HydrophobicContact CG-CG1 4.46Å; L895-I899 WeakPolarHBondContact O-CG1 3.22Å; L895-I899 PolarHBondContact O-N 3.43Å; L895-M926 HydrophobicContact CB-SD 4.35Å; L895-M926 HydrophobicContact CD2-CG 4.23Å; L895-M926 HydrophobicContact CD2-SD 3.79Å; L895-M926 HydrophobicContact CG-CG 4.49Å; L895-M926 HydrophobicContact CG-SD 3.89Å; L895-L948 HydrophobicContact CD2-CD2 4.23Å; L895-L948 HydrophobicContact CD2-CG 4.46Å; L895-M949 HydrophobicContact CD2-SD 3.87Å; L895-M956 HydrophobicContact CD1-CE 3.42Å; L895-M956 VanDerWaalsContact CD1-CE 3.42Å; L895-M956 HydrophobicContact CD1-CG 4.17Å; L895-M956 HydrophobicContact CD1-SD 3.79Å |
| 896 | T | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 174.7 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | V858 I882 I892 A893 V894 M900 I922 | V858-T896 HydrophobicContact CB-CG2 4.1Å; V858-T896 HydrophobicContact CG1-CG2 3.78Å; I882-T896 HydrophobicContact CG2-CG2 4.02Å; I892-T896 WeakPolarHBondContact O-CB 3.17Å; I892-T896 PolarHBondContact O-N 3.23Å; I892-T896 PolarHBondContact O-OG1 3.3Å; A893-T896 WeakPolarHBondContact O-CB 3.45Å; A893-T896 PolarHBondContact O-N 2.96Å; V894-T896 VanDerWaalsContact C-N 3.3Å; V894-T896 PolarHBondContact O-N 3.46Å; T896-M900 WeakPolarHBondContact O-CB 3.47Å; T896-M900 PolarHBondContact O-N 3.39Å; T896-I922 HydrophobicContact CG2-CD1 4.36Å; T896-I922 HydrophobicContact CG2-CG2 3.97Å |
| 897 | Q | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 174.6 | -65.5 | -177.6 | 59.4 | 0 | 0 | 111.7 | K837 V839 L842 I882 A893 V894 L895 M900 V901 | K837-Q897 PolarHBondContact O-NE2 2.89Å; V839-Q897 HydrophobicContact CG2-CB 3.95Å; L842-Q897 HydrophobicContact CD1-CB 3.79Å; L842-Q897 HydrophobicContact CD1-CG 3.94Å; L842-Q897 HydrophobicContact CD2-CG 3.8Å; I882-Q897 HydrophobicContact CD1-CG 4.06Å; I882-Q897 HydrophobicContact CG2-CG 4.37Å; A893-Q897 WeakPolarHBondContact O-CG 3.45Å; A893-Q897 PolarHBondContact O-N 3.21Å; A893-Q897 VanDerWaalsContact O-N 3.12Å; V894-Q897 WeakPolarHBondContact O-CB 3.31Å; V894-Q897 PolarHBondContact O-N 2.89Å; L895-Q897 VanDerWaalsContact C-N 3.33Å; Q897-M900 PolarHBondContact O-N 3.49Å; Q897-V901 WeakPolarHBondContact O-CG2 3.33Å; Q897-V901 PolarHBondContact O-N 3.11Å; Q897-V901 VanDerWaalsContact O-N 3.11Å |
| 898 | E | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.1 | -52.7 | 176.3 | -76.7 | -170.2 | -140.9 | 0 | 0 | 112.4 | F530 Y531 L532 R829 V894 L895 M900 V901 Y902 | F530-E898 HydrophobicContact CE1-CG 4.5Å; Y531-E898 PolarHBondContact OH-OE1 2.79Å; L532-E898 HydrophobicContact CD2-CG 4.21Å; R829-E898 IonicContact CZ-OE1 2.82Å; R829-E898 VanDerWaalsContact CZ-OE1 3.25Å; R829-E898 IonicContact CZ-OE2 3.51Å; R829-E898 IonicContact NE-OE1 2.92Å; R829-E898 PolarHBondContact NE-OE1 2.9Å; R829-E898 IonicContact NE-OE2 3.61Å; R829-E898 IonicContact NH2-OE1 2.91Å; R829-E898 PolarHBondContact NH2-OE1 3.3Å; R829-E898 IonicContact NH2-OE2 2.69Å; R829-E898 PolarHBondContact NH2-OE2 3.48Å; V894-E898 PolarHBondContact O-N 3.39Å; L895-E898 PolarHBondContact O-N 3.24Å; E898-M900 VanDerWaalsContact C-N 3.27Å; E898-M900 PolarHBondContact O-N 2.79Å; E898-V901 PolarHBondContact O-N 3.38Å; E898-V901 VanDerWaalsContact O-N 3.11Å; E898-Y902 HydrophobicContact CB-CD2 4.49Å; E898-Y902 HydrophobicContact CB-CE2 3.75Å; E898-Y902 WeakPolarHBondContact O-CD1 3.4Å; E898-Y902 WeakPolarHBondContact O-CD2 3.33Å; E898-Y902 PolarHBondContact O-N 2.92Å; E898-Y902 PolarHBondContact OE2-OH 3.26Å |
| 899 | I | 94.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | -177.5 | -70 | 170.3 | 0 | 0 | 0 | 110.5 | L895 V901 Y902 L903 I922 I925 M926 M929 L960 | L895-I899 HydrophobicContact CD1-CD1 4.09Å; L895-I899 HydrophobicContact CD1-CG1 4.24Å; L895-I899 HydrophobicContact CD2-CD1 4.49Å; L895-I899 HydrophobicContact CG-CD1 3.91Å; L895-I899 HydrophobicContact CG-CG1 4.46Å; L895-I899 WeakPolarHBondContact O-CG1 3.22Å; L895-I899 PolarHBondContact O-N 3.43Å; I899-V901 PolarHBondContact O-N 3.34Å; I899-Y902 PolarHBondContact O-N 2.91Å; I899-L903 HydrophobicContact CG2-CD1 3.82Å; I899-L903 HydrophobicContact CG2-CG 4.12Å; I899-L903 WeakPolarHBondContact O-CB 3.2Å; I899-L903 WeakPolarHBondContact O-CG 3.49Å; I899-L903 PolarHBondContact O-N 3.05Å; I899-I922 HydrophobicContact CB-CG2 4.08Å; I899-I922 HydrophobicContact CG2-CG2 3.83Å; I899-I925 HydrophobicContact CG2-CG2 4.49Å; I899-M926 HydrophobicContact CD1-CG 3.22Å; I899-M926 HydrophobicContact CD1-SD 3.98Å; I899-M929 HydrophobicContact CD1-SD 4.24Å; I899-L960 HydrophobicContact CG2-CD2 4.24Å |
| 900 | M | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 175 | -176.9 | 149.8 | 57.3 | 0 | 0 | 112 | L842 A845 C846 L849 L856 L878 I882 T896 Q897 E898 L903 A904 I922 | L842-M900 HydrophobicContact CD1-CB 4.46Å; L842-M900 HydrophobicContact CD1-CE 3.26Å; L842-M900 HydrophobicContact CD2-CE 4.34Å; L842-M900 HydrophobicContact CG-CE 3.73Å; A845-M900 HydrophobicContact CB-CG 4.47Å; C846-M900 HydrophobicContact CB-SD 3.98Å; L849-M900 HydrophobicContact CD1-CG 3.94Å; L856-M900 HydrophobicContact CD1-SD 3.79Å; L878-M900 HydrophobicContact CD1-CE 4.33Å; L878-M900 HydrophobicContact CD2-CE 4.17Å; L878-M900 HydrophobicContact CG-CE 4.47Å; I882-M900 HydrophobicContact CD1-CE 3.71Å; T896-M900 WeakPolarHBondContact O-CB 3.47Å; T896-M900 PolarHBondContact O-N 3.39Å; Q897-M900 PolarHBondContact O-N 3.49Å; E898-M900 VanDerWaalsContact C-N 3.27Å; E898-M900 PolarHBondContact O-N 2.79Å; M900-L903 PolarHBondContact O-N 3.26Å; M900-A904 PolarHBondContact O-N 3.34Å; M900-I922 HydrophobicContact CB-CD1 4.04Å; M900-I922 HydrophobicContact SD-CD1 4.33Å |
| 901 | V | 92.9 | Very high | 89.8 | Confident | 8 Ų | 8 | 16.2 Ų | 16.2 | 5% | 0.048 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | V839 V841 L842 A845 Q897 E898 I899 L903 A904 M905 | V839-V901 HydrophobicContact CB-CG2 4.48Å; V839-V901 HydrophobicContact CG1-CG2 3.99Å; V841-V901 HydrophobicContact CG2-CG2 4.47Å; L842-V901 HydrophobicContact CD1-CG2 4.41Å; A845-V901 HydrophobicContact CB-CG2 4.08Å; Q897-V901 WeakPolarHBondContact O-CG2 3.33Å; Q897-V901 PolarHBondContact O-N 3.11Å; Q897-V901 VanDerWaalsContact O-N 3.11Å; E898-V901 PolarHBondContact O-N 3.38Å; E898-V901 VanDerWaalsContact O-N 3.11Å; I899-V901 PolarHBondContact O-N 3.34Å; V901-L903 PolarHBondContact O-N 3.22Å; V901-A904 WeakPolarHBondContact O-CB 3.44Å; V901-A904 PolarHBondContact O-N 2.98Å; V901-M905 HydrophobicContact CG1-SD 4.37Å; V901-M905 WeakPolarHBondContact O-CG 3.39Å; V901-M905 PolarHBondContact O-N 3.43Å |
| 902 | Y | 94.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 178 | -55.3 | -26 | 0 | 0 | 0 | 112.4 | L532 M538 E898 I899 A904 M905 Y906 P953 M956 K957 L960 | L532-Y902 HydrophobicContact CD2-CE1 4.08Å; L532-Y902 WeakPolarHBondContact CD2-OH 3.47Å; M538-Y902 HydrophobicContact CE-CD1 3.96Å; M538-Y902 HydrophobicContact CE-CE1 3.53Å; M538-Y902 HydrophobicContact SD-CE1 4.22Å; E898-Y902 HydrophobicContact CB-CD2 4.49Å; E898-Y902 HydrophobicContact CB-CE2 3.75Å; E898-Y902 WeakPolarHBondContact O-CD1 3.4Å; E898-Y902 WeakPolarHBondContact O-CD2 3.33Å; E898-Y902 PolarHBondContact O-N 2.92Å; E898-Y902 PolarHBondContact OE2-OH 3.26Å; I899-Y902 PolarHBondContact O-N 2.91Å; Y902-A904 VanDerWaalsContact C-N 3.3Å; Y902-A904 PolarHBondContact O-N 2.85Å; Y902-M905 HydrophobicContact CD1-SD 4.24Å; Y902-M905 PolarHBondContact O-N 3.39Å; Y902-Y906 WeakPolarHBondContact O-CD2 3.36Å; Y902-Y906 PolarHBondContact O-N 2.9Å; Y902-P953 WeakPolarHBondContact OH-CA 3.27Å; Y902-P953 WeakPolarHBondContact OH-CB 3.49Å; Y902-P953 PolarHBondContact OH-O 3.23Å; Y902-M956 HydrophobicContact CD2-CG 4.3Å; Y902-M956 HydrophobicContact CE2-CB 4Å; Y902-M956 HydrophobicContact CE2-CG 3.67Å; Y902-K957 HydrophobicContact CD1-CB 4.08Å; Y902-K957 HydrophobicContact CD1-CD 4.09Å; Y902-K957 HydrophobicContact CD1-CG 4.32Å; Y902-K957 HydrophobicContact CD2-CB 3.96Å; Y902-K957 HydrophobicContact CE1-CB 4.33Å; Y902-K957 HydrophobicContact CE2-CB 4.22Å; Y902-K957 HydrophobicContact CG-CB 3.9Å; Y902-K957 HydrophobicContact CG-CD 4.43Å; Y902-K957 HydrophobicContact CG-CG 4.2Å; Y902-L960 HydrophobicContact CD2-CD2 4.48Å |
| 903 | L | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 173.2 | -70.2 | 169.2 | 0 | 0 | 0 | 110.3 | L849 I899 M900 V901 Y906 V907 F914 L920 I922 I925 L960 L964 | L849-L903 HydrophobicContact CD1-CB 3.9Å; L849-L903 HydrophobicContact CD2-CB 3.83Å; I899-L903 HydrophobicContact CG2-CD1 3.82Å; I899-L903 HydrophobicContact CG2-CG 4.12Å; I899-L903 WeakPolarHBondContact O-CB 3.2Å; I899-L903 WeakPolarHBondContact O-CG 3.49Å; I899-L903 PolarHBondContact O-N 3.05Å; M900-L903 PolarHBondContact O-N 3.26Å; V901-L903 PolarHBondContact O-N 3.22Å; L903-Y906 PolarHBondContact O-N 2.72Å; L903-V907 PolarHBondContact O-N 3.02Å; L903-F914 HydrophobicContact CB-CE1 4.44Å; L903-F914 HydrophobicContact CB-CZ 4.42Å; L903-F914 HydrophobicContact CD2-CE1 3.84Å; L903-F914 HydrophobicContact CD2-CZ 4.03Å; L903-F914 WeakPolarHBondContact O-CZ 3.3Å; L903-L920 HydrophobicContact CD1-CD1 4.33Å; L903-I922 HydrophobicContact CD1-CG1 4.09Å; L903-I925 HydrophobicContact CD1-CD1 4.29Å; L903-L960 HydrophobicContact CD2-CD1 4.17Å; L903-L960 HydrophobicContact CD2-CD2 3.98Å; L903-L960 HydrophobicContact CD2-CG 4.42Å; L903-L960 HydrophobicContact CG-CD2 4.05Å; L903-L964 HydrophobicContact CD2-CD1 3.7Å; L903-L964 HydrophobicContact CD2-CD2 4.44Å |
| 904 | A | 90.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A845 D848 L849 M900 V901 Y902 Y906 V907 R908 | A845-A904 HydrophobicContact CB-CB 3.55Å; D848-A904 HydrophobicContact CB-CB 4.27Å; L849-A904 HydrophobicContact CD1-CB 4.39Å; L849-A904 HydrophobicContact CG-CB 4.2Å; M900-A904 PolarHBondContact O-N 3.34Å; V901-A904 WeakPolarHBondContact O-CB 3.44Å; V901-A904 PolarHBondContact O-N 2.98Å; Y902-A904 VanDerWaalsContact C-N 3.3Å; Y902-A904 PolarHBondContact O-N 2.85Å; A904-Y906 VanDerWaalsContact C-N 3.33Å; A904-Y906 PolarHBondContact O-N 2.6Å; A904-V907 WeakPolarHBondContact O-CG1 3.41Å; A904-V907 PolarHBondContact O-N 3.08Å; A904-R908 WeakPolarHBondContact O-CG 3.47Å; A904-R908 PolarHBondContact O-N 3.13Å; A904-R908 PolarHBondContact O-NE 2.74Å |
| 905 | M | 89.1 | Confident | 88.7 | Confident | 5 Ų | 5 | 21.4 Ų | 21.4 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 172.4 | -66.6 | 171.5 | 79 | 0 | 0 | 111.8 | M538 E541 M542 V901 Y902 S909 K957 | M538-M905 HydrophobicContact CE-CE 3.96Å; M538-M905 HydrophobicContact CE-SD 3.65Å; E541-M905 HydrophobicContact CG-CE 3.84Å; M542-M905 HydrophobicContact CG-CE 4.23Å; V901-M905 HydrophobicContact CG1-SD 4.37Å; V901-M905 WeakPolarHBondContact O-CG 3.39Å; V901-M905 PolarHBondContact O-N 3.43Å; Y902-M905 HydrophobicContact CD1-SD 4.24Å; Y902-M905 PolarHBondContact O-N 3.39Å; M905-S909 WeakPolarHBondContact O-CB 3.5Å; M905-S909 PolarHBondContact O-N 3.25Å; M905-S909 VanDerWaalsContact O-N 3.09Å; M905-S909 PolarHBondContact O-OG 3.05Å; M905-K957 HydrophobicContact CE-CD 4.27Å; M905-K957 HydrophobicContact SD-CD 4.21Å |
| 906 | Y | 90.3 | Very high | 88.1 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 2% | 0.02 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.4 | -35 | 179.4 | -73.7 | -51.6 | 0 | 0 | 0 | 113.6 | Y902 L903 A904 R908 S909 Q910 L913 F914 K957 L960 H961 L964 | Y902-Y906 WeakPolarHBondContact O-CD2 3.36Å; Y902-Y906 PolarHBondContact O-N 2.9Å; L903-Y906 PolarHBondContact O-N 2.72Å; A904-Y906 VanDerWaalsContact C-N 3.33Å; A904-Y906 PolarHBondContact O-N 2.6Å; Y906-R908 VanDerWaalsContact C-N 3.29Å; Y906-R908 PolarHBondContact O-N 2.65Å; Y906-S909 PolarHBondContact O-N 2.79Å; Y906-Q910 CarbonylContact O-C 3.6Å; Y906-Q910 VanDerWaalsContact O-CA 3.31Å; Y906-Q910 WeakPolarHBondContact O-CA 3.47Å; Y906-Q910 PolarHBondContact O-N 2.75Å; Y906-L913 HydrophobicContact CD1-CD1 4.13Å; Y906-L913 HydrophobicContact CG-CD1 4.27Å; Y906-F914 VanDerWaalsContact C-CE2 3.5Å; Y906-K957 HydrophobicContact CE2-CG 3.88Å; Y906-K957 WeakPolarHBondContact CE2-O 3.46Å; Y906-K957 WeakPolarHBondContact OH-CG 3.3Å; Y906-K957 PolarHBondContact OH-NZ 3.08Å; Y906-K957 PolarHBondContact OH-O 2.71Å; Y906-L960 HydrophobicContact CD2-CD2 4.33Å; Y906-L960 HydrophobicContact CE2-CD2 4.28Å; Y906-L960 HydrophobicContact CE2-CG 4.41Å; Y906-H961 HydrophobicContact CE1-CB 4.24Å; Y906-H961 AromaticContact CE1-CD2 3.61Å; Y906-H961 HydrophobicContact CE2-CB 4.18Å; Y906-H961 AromaticContact CZ-CD2 4Å; Y906-H961 WeakPolarHBondContact OH-CB 3.37Å; Y906-L964 HydrophobicContact CD2-CD1 4.43Å |
| 907 | V | 86.1 | Confident | 87.7 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.6 | -35.1 | 179.9 | 80.3 | 0 | 0 | 0 | 0 | 110.9 | L849 H852 L903 A904 P911 F914 | L849-V907 HydrophobicContact CD2-CB 4.12Å; L849-V907 HydrophobicContact CD2-CG1 3.93Å; H852-V907 HydrophobicContact CB-CG2 3.58Å; L903-V907 PolarHBondContact O-N 3.02Å; A904-V907 WeakPolarHBondContact O-CG1 3.41Å; A904-V907 PolarHBondContact O-N 3.08Å; V907-P911 WeakPolarHBondContact O-CA 3.47Å; V907-P911 WeakPolarHBondContact O-CB 3.49Å; V907-P911 WeakPolarHBondContact O-CD 3.47Å; V907-F914 VanDerWaalsContact CA-CE2 3.49Å; V907-F914 HydrophobicContact CB-CD2 4.04Å; V907-F914 HydrophobicContact CB-CE2 3.82Å; V907-F914 HydrophobicContact CB-CZ 4.08Å; V907-F914 HydrophobicContact CG2-CD2 3.96Å; V907-F914 HydrophobicContact CG2-CE2 4.26Å; V907-F914 HydrophobicContact CG2-CG 4.14Å; V907-F914 VanDerWaalsContact N-CE2 3.32Å |
| 908 | R | 78.8 | Confident | 87.1 | Confident | 81 Ų | 81 | 25.2 Ų | 25.2 | 31% | 0.306 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -70.2 | -48 | 174 | -68.1 | -173.8 | -67.7 | 155.1 | -2.9 | 112.5 | D848 A904 Y906 | D848-R908 WeakPolarHBondContact OD2-CD 3.45Å; D848-R908 IonicContact OD2-NE 2.85Å; D848-R908 PolarHBondContact OD2-NE 3.39Å; A904-R908 WeakPolarHBondContact O-CG 3.47Å; A904-R908 PolarHBondContact O-N 3.13Å; A904-R908 PolarHBondContact O-NE 2.74Å; Y906-R908 VanDerWaalsContact C-N 3.29Å; Y906-R908 PolarHBondContact O-N 2.65Å |
| 909 | S | 80.8 | Confident | 86.7 | Confident | 61 Ų | 61 | 26.1 Ų | 26.1 | 43% | 0.427 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -85.4 | -32.6 | -173.2 | 60.1 | 0 | 0 | 0 | 0 | 114.7 | M905 Y906 | M905-S909 WeakPolarHBondContact O-CB 3.5Å; M905-S909 PolarHBondContact O-N 3.25Å; M905-S909 VanDerWaalsContact O-N 3.09Å; M905-S909 PolarHBondContact O-OG 3.05Å; Y906-S909 PolarHBondContact O-N 2.79Å |
| 910 | Q | 84.8 | Confident | 86.4 | Confident | 86 Ų | 86 | 26.1 Ų | 26.1 | 40% | 0.402 | 15% | 0.154 | S | C | . | . | trans | -141.7 | 61.8 | -174.8 | -61.5 | -178 | 30.5 | 0 | 0 | 111.1 | Y906 A912 L913 H961 | Y906-Q910 CarbonylContact O-C 3.6Å; Y906-Q910 VanDerWaalsContact O-CA 3.31Å; Y906-Q910 WeakPolarHBondContact O-CA 3.47Å; Y906-Q910 PolarHBondContact O-N 2.75Å; Q910-A912 PolarHBondContact O-N 3.43Å; Q910-L913 HydrophobicContact CB-CD1 3.79Å; Q910-L913 HydrophobicContact CB-CG 3.99Å; Q910-L913 WeakPolarHBondContact O-CB 3.45Å; Q910-L913 WeakPolarHBondContact O-CG 3.37Å; Q910-L913 PolarHBondContact O-N 2.74Å; Q910-H961 PolarHBondContact OE1-NE2 3.4Å | ||
| 911 | P | 82.4 | Confident | 86.1 | Confident | 73 Ų | 73 | 26.7 Ų | 26.7 | 47% | 0.474 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -56.6 | -25.2 | -175.8 | 20.4 | -32.7 | 0 | 0 | 0 | 113.7 | V907 L913 F914 | V907-P911 WeakPolarHBondContact O-CA 3.47Å; V907-P911 WeakPolarHBondContact O-CB 3.49Å; V907-P911 WeakPolarHBondContact O-CD 3.47Å; P911-L913 PolarHBondContact O-N 3.46Å; P911-L913 VanDerWaalsContact O-N 3.15Å; P911-F914 PolarHBondContact O-N 3.38Å |
| 912 | A | 81.9 | Confident | 86 | Confident | 84 Ų | 84 | 26.3 Ų | 26.3 | 69% | 0.694 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -59 | -23.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q910 F914 G915 | Q910-A912 PolarHBondContact O-N 3.43Å; A912-F914 PolarHBondContact O-N 2.93Å; A912-G915 PolarHBondContact O-N 2.72Å |
| 913 | L | 85.4 | Confident | 85.6 | Confident | 21 Ų | 21 | 26.3 Ų | 26.3 | 11% | 0.11 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -65.1 | -26 | 174.9 | -67.5 | 177.3 | 0 | 0 | 0 | 112.7 | Y906 Q910 P911 L964 R1077 | Y906-L913 HydrophobicContact CD1-CD1 4.13Å; Y906-L913 HydrophobicContact CG-CD1 4.27Å; Q910-L913 HydrophobicContact CB-CD1 3.79Å; Q910-L913 HydrophobicContact CB-CG 3.99Å; Q910-L913 WeakPolarHBondContact O-CB 3.45Å; Q910-L913 WeakPolarHBondContact O-CG 3.37Å; Q910-L913 PolarHBondContact O-N 2.74Å; P911-L913 PolarHBondContact O-N 3.46Å; P911-L913 VanDerWaalsContact O-N 3.15Å; L913-L964 HydrophobicContact CB-CB 4.48Å; L913-R1077 PolarHBondContact O-NH2 3.46Å |
| 914 | F | 87.4 | Confident | 85.2 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -100.1 | 5.6 | -176.8 | -60.4 | -97.8 | 0 | 0 | 0 | 112.7 | L849 K854 L903 Y906 V907 P911 A912 D916 M917 L920 L964 | L849-F914 HydrophobicContact CD2-CE1 4.43Å; K854-F914 HydrophobicContact CD-CB 4.34Å; K854-F914 PolarHBondContact NZ-O 3.13Å; L903-F914 HydrophobicContact CB-CE1 4.44Å; L903-F914 HydrophobicContact CB-CZ 4.42Å; L903-F914 HydrophobicContact CD2-CE1 3.84Å; L903-F914 HydrophobicContact CD2-CZ 4.03Å; L903-F914 WeakPolarHBondContact O-CZ 3.3Å; Y906-F914 VanDerWaalsContact C-CE2 3.5Å; V907-F914 VanDerWaalsContact CA-CE2 3.49Å; V907-F914 HydrophobicContact CB-CD2 4.04Å; V907-F914 HydrophobicContact CB-CE2 3.82Å; V907-F914 HydrophobicContact CB-CZ 4.08Å; V907-F914 HydrophobicContact CG2-CD2 3.96Å; V907-F914 HydrophobicContact CG2-CE2 4.26Å; V907-F914 HydrophobicContact CG2-CG 4.14Å; V907-F914 VanDerWaalsContact N-CE2 3.32Å; P911-F914 PolarHBondContact O-N 3.38Å; A912-F914 PolarHBondContact O-N 2.93Å; F914-D916 PolarHBondContact O-N 3.01Å; F914-M917 PolarHBondContact O-N 2.94Å; F914-L920 HydrophobicContact CD1-CD1 3.94Å; F914-L920 HydrophobicContact CD1-CD2 3.88Å; F914-L920 HydrophobicContact CE1-CD1 3.74Å; F914-L920 HydrophobicContact CE1-CD2 4.09Å; F914-L964 HydrophobicContact CE1-CD1 4.3Å; F914-L964 HydrophobicContact CE2-CD1 4.48Å; F914-L964 HydrophobicContact CZ-CD1 3.93Å |
| 915 | G | 79.4 | Confident | 85.1 | Confident | 19 Ų | 19 | 26.8 Ų | 26.8 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 143 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A912 M917 | A912-G915 PolarHBondContact O-N 2.72Å; G915-M917 PolarHBondContact O-N 3.23Å |
| 916 | D | 80.7 | Confident | 85.1 | Confident | 43 Ų | 43 | 26.6 Ų | 26.6 | 23% | 0.23 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 12.8 | 173.6 | -62.9 | -35.8 | 0 | 0 | 0 | 115.5 | F914 R1077 V1078 M1080 | F914-D916 PolarHBondContact O-N 3.01Å; D916-R1077 HydrophobicContact CB-CG 3.65Å; D916-R1077 CarbonylContact O-C 3.12Å; D916-R1077 VanDerWaalsContact O-CA 3.3Å; D916-R1077 WeakPolarHBondContact O-CA 3.3Å; D916-V1078 WeakPolarHBondContact CB-O 3.24Å; D916-V1078 PolarHBondContact O-N 3.47Å; D916-M1080 WeakPolarHBondContact OD1-CE 3.38Å; D916-M1080 VanDerWaalsContact OD1-CG 3.23Å; D916-M1080 WeakPolarHBondContact OD1-CG 3.47Å |
| 917 | M | 85.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -120.3 | 124.8 | 178.2 | -62.1 | 161.2 | 66.3 | 0 | 0 | 109.7 | K854 F914 G915 L920 L964 I1075 R1077 | K854-M917 VanDerWaalsContact CD-O 3.26Å; K854-M917 WeakPolarHBondContact CD-O 3.16Å; K854-M917 PolarHBondContact NZ-O 3.31Å; F914-M917 PolarHBondContact O-N 2.94Å; G915-M917 PolarHBondContact O-N 3.23Å; M917-L920 HydrophobicContact CE-CD2 3.4Å; M917-L964 HydrophobicContact CE-CD2 4.13Å; M917-I1075 HydrophobicContact CE-CB 3.66Å; M917-I1075 HydrophobicContact CE-CD1 3.99Å; M917-I1075 HydrophobicContact CE-CG1 3.87Å; M917-I1075 HydrophobicContact CE-CG2 4.47Å; M917-I1075 HydrophobicContact CG-CG1 4.49Å; M917-I1075 HydrophobicContact SD-CD1 3.97Å; M917-I1075 HydrophobicContact SD-CG1 4.18Å; M917-R1077 HydrophobicContact CG-CB 3.89Å; M917-R1077 HydrophobicContact CG-CG 4.03Å; M917-R1077 PolarHBondContact SD-NH2 3.22Å; M917-R1077 VanDerWaalsContact SD-NH2 3.41Å |
| 918 | L | 81.9 | Confident | 84.8 | Confident | 36 Ų | 36 | 27.5 Ų | 27.5 | 19% | 0.188 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -97.5 | -27.3 | 171.7 | -58.4 | 179.2 | 0 | 0 | 0 | 113.2 | K854 Q855 Y1083 A1119 E1123 | K854-L918 CarbonylContact C-O 3.57Å; K854-L918 VanDerWaalsContact CA-O 3.3Å; K854-L918 WeakPolarHBondContact CA-O 3.48Å; Q855-L918 PolarHBondContact N-O 3.16Å; L918-Y1083 HydrophobicContact CD1-CD2 4.22Å; L918-Y1083 HydrophobicContact CD1-CE1 3.95Å; L918-Y1083 HydrophobicContact CD1-CE2 3.43Å; L918-Y1083 VanDerWaalsContact CD1-CE2 3.43Å; L918-Y1083 WeakPolarHBondContact CD1-OH 3.47Å; L918-Y1083 HydrophobicContact CG-CE2 3.93Å; L918-Y1083 WeakPolarHBondContact CG-OH 3.42Å; L918-A1119 HydrophobicContact CD1-CB 3.44Å; L918-A1119 VanDerWaalsContact CD1-CB 3.44Å; L918-E1123 WeakPolarHBondContact CB-OE1 3.47Å; L918-E1123 HydrophobicContact CD1-CG 4.48Å |
| 919 | R | 85.6 | Confident | 85.3 | Confident | 18 Ų | 18 | 23.6 Ų | 23.6 | 7% | 0.068 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 129.8 | -177.6 | -174.1 | -179.9 | -71 | -172.6 | -0.2 | 111.8 | Q855 T857 R921 E1123 N1127 | Q855-R919 HydrophobicContact CB-CB 4.15Å; Q855-R919 HydrophobicContact CB-CG 3.99Å; Q855-R919 CarbonylContact O-C 3.44Å; Q855-R919 VanDerWaalsContact O-CA 3.27Å; Q855-R919 WeakPolarHBondContact O-CA 3.42Å; Q855-R919 VanDerWaalsContact OE1-NE 3.16Å; T857-R919 HydrophobicContact CG2-CG 4.07Å; R919-R921 HydrophobicContact CG-CG 4.12Å; R919-E1123 WeakPolarHBondContact CB-OE2 3.44Å; R919-N1127 PolarHBondContact NH1-ND2 3.13Å |
| 920 | L | 88.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 108.2 | 174.7 | -54.9 | 172.1 | 0 | 0 | 0 | 109.1 | L849 K854 Q855 L856 T857 L903 F914 M917 I922 | L849-L920 HydrophobicContact CD2-CD1 3.75Å; K854-L920 HydrophobicContact CB-CD1 3.78Å; K854-L920 HydrophobicContact CB-CG 4.05Å; K854-L920 HydrophobicContact CG-CD1 4.17Å; Q855-L920 PolarHBondContact O-N 3.46Å; L856-L920 WeakPolarHBondContact CA-O 3.38Å; L856-L920 HydrophobicContact CD2-CB 3.79Å; L856-L920 HydrophobicContact CD2-CD1 3.85Å; L856-L920 HydrophobicContact CD2-CG 4.26Å; T857-L920 PolarHBondContact N-O 2.65Å; L903-L920 HydrophobicContact CD1-CD1 4.33Å; F914-L920 HydrophobicContact CD1-CD1 3.94Å; F914-L920 HydrophobicContact CD1-CD2 3.88Å; F914-L920 HydrophobicContact CE1-CD1 3.74Å; F914-L920 HydrophobicContact CE1-CD2 4.09Å; M917-L920 HydrophobicContact CE-CD2 3.4Å; L920-I922 PolarHBondContact O-N 3.27Å |
| 921 | R | 87.9 | Confident | 85.5 | Confident | 12 Ų | 12 | 17.5 Ų | 17.5 | 5% | 0.045 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 90.8 | -179.7 | -60.9 | 177.7 | 69.2 | -177 | 1.9 | 109.7 | T857 E866 R919 G923 L924 I925 N1127 | T857-R921 HydrophobicContact CG2-CG 4.24Å; T857-R921 WeakPolarHBondContact OG1-CA 3.3Å; T857-R921 WeakPolarHBondContact OG1-CB 3.44Å; T857-R921 WeakPolarHBondContact OG1-CG 3.32Å; E866-R921 IonicContact OE1-CZ 2.77Å; E866-R921 IonicContact OE1-NE 3.51Å; E866-R921 PolarHBondContact OE1-NE 2.86Å; E866-R921 IonicContact OE1-NH2 2.69Å; E866-R921 PolarHBondContact OE1-NH2 3.39Å; E866-R921 IonicContact OE2-CZ 2.88Å; E866-R921 IonicContact OE2-NE 2.63Å; E866-R921 IonicContact OE2-NH2 3.64Å; E866-R921 PolarHBondContact OE2-NH2 3Å; R919-R921 HydrophobicContact CG-CG 4.12Å; R921-G923 PolarHBondContact O-N 3.33Å; R921-L924 HydrophobicContact CB-CB 4.08Å; R921-L924 HydrophobicContact CB-CD1 4.1Å; R921-L924 HydrophobicContact CB-CG 4.26Å; R921-L924 VanDerWaalsContact CZ-CD1 3.45Å; R921-L924 PolarHBondContact O-N 3.06Å; R921-I925 WeakPolarHBondContact O-CG1 3.13Å; R921-I925 PolarHBondContact O-N 3.25Å; R921-N1127 PolarHBondContact NH1-OD1 3.48Å |
| 922 | I | 90.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.2 | -38.8 | -170.3 | -63.2 | 168.6 | 0 | 0 | 0 | 110.8 | T857 V858 T896 I899 M900 L903 L920 L924 I925 M926 | T857-I922 WeakPolarHBondContact O-CB 3.35Å; T857-I922 PolarHBondContact O-N 2.84Å; T857-I922 VanDerWaalsContact O-N 3.07Å; V858-I922 HydrophobicContact CG1-CD1 4.22Å; T896-I922 HydrophobicContact CG2-CD1 4.36Å; T896-I922 HydrophobicContact CG2-CG2 3.97Å; I899-I922 HydrophobicContact CB-CG2 4.08Å; I899-I922 HydrophobicContact CG2-CG2 3.83Å; M900-I922 HydrophobicContact CB-CD1 4.04Å; M900-I922 HydrophobicContact SD-CD1 4.33Å; L903-I922 HydrophobicContact CD1-CG1 4.09Å; L920-I922 PolarHBondContact O-N 3.27Å; I922-L924 PolarHBondContact O-N 3.25Å; I922-I925 PolarHBondContact O-N 3.04Å; I922-M926 HydrophobicContact CG2-CE 4.21Å; I922-M926 WeakPolarHBondContact O-CG 3.33Å; I922-M926 PolarHBondContact O-N 3.37Å |
| 923 | G | 87.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.2 | -47.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G859 L860 R921 M926 Q927 | G859-G923 VanDerWaalsContact O-CA 3.3Å; G859-G923 WeakPolarHBondContact O-CA 3.45Å; L860-G923 WeakPolarHBondContact CD2-O 3.29Å; R921-G923 PolarHBondContact O-N 3.33Å; G923-M926 PolarHBondContact O-N 3.3Å; G923-Q927 WeakPolarHBondContact O-CG 3.46Å; G923-Q927 PolarHBondContact O-N 3.39Å; G923-Q927 VanDerWaalsContact O-N 3.1Å |
| 924 | L | 84.4 | Confident | 85.6 | Confident | 12 Ų | 12 | 10.6 Ų | 10.6 | 6% | 0.063 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.9 | -37.9 | 177.6 | -76.1 | -179 | 0 | 0 | 0 | 111.9 | P861 R921 I922 M926 Q927 V928 A1074 | P861-L924 HydrophobicContact CG-CD2 3.52Å; P861-L924 HydrophobicContact CG-CG 3.91Å; R921-L924 HydrophobicContact CB-CB 4.08Å; R921-L924 HydrophobicContact CB-CD1 4.1Å; R921-L924 HydrophobicContact CB-CG 4.26Å; R921-L924 VanDerWaalsContact CZ-CD1 3.45Å; R921-L924 PolarHBondContact O-N 3.06Å; I922-L924 PolarHBondContact O-N 3.25Å; L924-M926 VanDerWaalsContact C-N 3.32Å; L924-M926 PolarHBondContact O-N 3.48Å; L924-Q927 PolarHBondContact O-N 3.33Å; L924-V928 VanDerWaalsContact O-CG2 3.3Å; L924-V928 WeakPolarHBondContact O-CG2 3.46Å; L924-V928 PolarHBondContact O-N 3.14Å; L924-A1074 VanDerWaalsContact CD1-O 3.31Å; L924-A1074 WeakPolarHBondContact CD1-O 3.28Å |
| 925 | I | 88.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 175.5 | -67.4 | 168.4 | 0 | 0 | 0 | 109.9 | I899 L903 R921 I922 Q927 V928 M929 L960 I1075 | I899-I925 HydrophobicContact CG2-CG2 4.49Å; L903-I925 HydrophobicContact CD1-CD1 4.29Å; R921-I925 WeakPolarHBondContact O-CG1 3.13Å; R921-I925 PolarHBondContact O-N 3.25Å; I922-I925 PolarHBondContact O-N 3.04Å; I925-Q927 VanDerWaalsContact C-N 3.34Å; I925-Q927 PolarHBondContact O-N 3.25Å; I925-V928 PolarHBondContact O-N 3.35Å; I925-M929 HydrophobicContact CG2-CG 4.5Å; I925-M929 HydrophobicContact CG2-SD 3.95Å; I925-M929 VanDerWaalsContact O-CG 3.28Å; I925-M929 WeakPolarHBondContact O-CG 3.48Å; I925-M929 PolarHBondContact O-N 2.99Å; I925-L960 HydrophobicContact CG2-CD1 3.48Å; I925-L960 VanDerWaalsContact CG2-CD1 3.48Å; I925-I1075 HydrophobicContact CG1-CG2 4.19Å |
| 926 | M | 88.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.5 | -45.3 | 174 | -73.3 | -175.4 | -66.1 | 0 | 0 | 112 | L860 I892 L895 I899 I922 G923 L924 V928 M929 A930 | L860-M926 HydrophobicContact CD2-CE 4.45Å; I892-M926 HydrophobicContact CG2-CE 3.94Å; I892-M926 HydrophobicContact CG2-SD 4.33Å; L895-M926 HydrophobicContact CB-SD 4.35Å; L895-M926 HydrophobicContact CD2-CG 4.23Å; L895-M926 HydrophobicContact CD2-SD 3.79Å; L895-M926 HydrophobicContact CG-CG 4.49Å; L895-M926 HydrophobicContact CG-SD 3.89Å; I899-M926 HydrophobicContact CD1-CG 3.22Å; I899-M926 HydrophobicContact CD1-SD 3.98Å; I922-M926 HydrophobicContact CG2-CE 4.21Å; I922-M926 WeakPolarHBondContact O-CG 3.33Å; I922-M926 PolarHBondContact O-N 3.37Å; G923-M926 PolarHBondContact O-N 3.3Å; L924-M926 VanDerWaalsContact C-N 3.32Å; L924-M926 PolarHBondContact O-N 3.48Å; M926-V928 VanDerWaalsContact C-N 3.33Å; M926-V928 PolarHBondContact O-N 3.41Å; M926-M929 PolarHBondContact O-N 2.97Å; M926-A930 PolarHBondContact O-N 3.2Å |
| 927 | Q | 85.4 | Confident | 85.2 | Confident | 17 Ų | 17 | 15.4 Ų | 15.4 | 8% | 0.079 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 179 | -72.2 | -178.1 | -39.1 | 0 | 0 | 112.9 | S707 M708 L710 L860 G923 L924 I925 T931 | S707-Q927 PolarHBondContact O-NE2 3.29Å; M708-Q927 VanDerWaalsContact O-CA 3.3Å; M708-Q927 WeakPolarHBondContact O-CA 3.37Å; M708-Q927 WeakPolarHBondContact O-CG 3.41Å; L710-Q927 HydrophobicContact CG-CB 4.38Å; L860-Q927 HydrophobicContact CD2-CG 3.89Å; G923-Q927 WeakPolarHBondContact O-CG 3.46Å; G923-Q927 PolarHBondContact O-N 3.39Å; G923-Q927 VanDerWaalsContact O-N 3.1Å; L924-Q927 PolarHBondContact O-N 3.33Å; I925-Q927 VanDerWaalsContact C-N 3.34Å; I925-Q927 PolarHBondContact O-N 3.25Å; Q927-T931 VanDerWaalsContact O-CB 3.29Å; Q927-T931 WeakPolarHBondContact O-CB 3.35Å; Q927-T931 PolarHBondContact O-N 3.39Å; Q927-T931 PolarHBondContact O-OG1 3.49Å |
| 928 | V | 85.4 | Confident | 85 | Confident | 8 Ų | 8 | 23.9 Ų | 23.9 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | L924 I925 M926 T931 E932 I963 L1071 A1074 | L924-V928 VanDerWaalsContact O-CG2 3.3Å; L924-V928 WeakPolarHBondContact O-CG2 3.46Å; L924-V928 PolarHBondContact O-N 3.14Å; I925-V928 PolarHBondContact O-N 3.35Å; M926-V928 VanDerWaalsContact C-N 3.33Å; M926-V928 PolarHBondContact O-N 3.41Å; V928-T931 PolarHBondContact O-N 2.87Å; V928-E932 HydrophobicContact CG1-CG 4.43Å; V928-E932 WeakPolarHBondContact O-CB 3.43Å; V928-E932 WeakPolarHBondContact O-CG 3.25Å; V928-E932 PolarHBondContact O-N 2.95Å; V928-I963 HydrophobicContact CG1-CD1 4.01Å; V928-I963 HydrophobicContact CG1-CG1 4.44Å; V928-I963 HydrophobicContact CG1-CG2 3.85Å; V928-L1071 HydrophobicContact CG1-CD2 3.38Å; V928-A1074 HydrophobicContact CG2-CB 3.46Å; V928-A1074 VanDerWaalsContact CG2-CB 3.46Å |
| 929 | M | 88.4 | Confident | 85 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.8 | -48.7 | 176 | -70.7 | 171.2 | 73.7 | 0 | 0 | 111.5 | I899 I925 M926 T931 E932 L933 L948 M956 L959 L960 I963 | I899-M929 HydrophobicContact CD1-SD 4.24Å; I925-M929 HydrophobicContact CG2-CG 4.5Å; I925-M929 HydrophobicContact CG2-SD 3.95Å; I925-M929 VanDerWaalsContact O-CG 3.28Å; I925-M929 WeakPolarHBondContact O-CG 3.48Å; I925-M929 PolarHBondContact O-N 2.99Å; M926-M929 PolarHBondContact O-N 2.97Å; M929-T931 VanDerWaalsContact C-N 3.34Å; M929-T931 PolarHBondContact O-N 3.1Å; M929-E932 PolarHBondContact O-N 3.32Å; M929-L933 WeakPolarHBondContact O-CG 3.37Å; M929-L933 PolarHBondContact O-N 3.46Å; M929-L948 HydrophobicContact CB-CD1 4.18Å; M929-L948 HydrophobicContact CE-CD1 4.23Å; M929-M956 HydrophobicContact CE-CG 4.28Å; M929-M956 HydrophobicContact CE-SD 3.39Å; M929-M956 WeakPolarHBondContact CE-SD 3.43Å; M929-L959 HydrophobicContact CB-CD2 3.95Å; M929-L959 HydrophobicContact CB-CG 4.35Å; M929-L959 HydrophobicContact CE-CB 3.92Å; M929-L959 HydrophobicContact CE-CD2 3.73Å; M929-L959 HydrophobicContact CE-CG 3.75Å; M929-L959 HydrophobicContact CG-CD2 4.29Å; M929-L959 HydrophobicContact CG-CG 4.19Å; M929-L960 HydrophobicContact CE-CB 4.16Å; M929-L960 HydrophobicContact SD-CB 4.39Å; M929-L960 HydrophobicContact SD-CD1 4.17Å; M929-I963 HydrophobicContact CG-CG1 3.8Å |
| 930 | A | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M708 M926 L933 A934 A944 L948 | M708-A930 WeakPolarHBondContact O-CB 3.32Å; M926-A930 PolarHBondContact O-N 3.2Å; A930-L933 PolarHBondContact O-N 3.28Å; A930-A934 PolarHBondContact O-N 3.22Å; A930-A944 WeakPolarHBondContact O-CB 3.42Å; A930-L948 HydrophobicContact CB-CD2 4.07Å |
| 931 | T | 82.8 | Confident | 84.1 | Confident | 18 Ų | 18 | 25.5 Ų | 25.5 | 11% | 0.11 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.2 | -39.7 | 179.9 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | L710 V712 Q927 V928 M929 A934 R935 | L710-T931 PolarHBondContact N-OG1 2.68Å; V712-T931 HydrophobicContact CG2-CG2 3.63Å; Q927-T931 VanDerWaalsContact O-CB 3.29Å; Q927-T931 WeakPolarHBondContact O-CB 3.35Å; Q927-T931 PolarHBondContact O-N 3.39Å; Q927-T931 PolarHBondContact O-OG1 3.49Å; V928-T931 PolarHBondContact O-N 2.87Å; M929-T931 VanDerWaalsContact C-N 3.34Å; M929-T931 PolarHBondContact O-N 3.1Å; T931-A934 PolarHBondContact O-N 3.21Å; T931-R935 PolarHBondContact O-N 3.1Å |
| 932 | E | 82.3 | Confident | 83.6 | Confident | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.075 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.9 | -33.8 | 176 | -77.6 | -66.3 | 121.7 | 0 | 0 | 112.5 | V928 M929 R935 S936 I963 F969 R1067 | V928-E932 HydrophobicContact CG1-CG 4.43Å; V928-E932 WeakPolarHBondContact O-CB 3.43Å; V928-E932 WeakPolarHBondContact O-CG 3.25Å; V928-E932 PolarHBondContact O-N 2.95Å; M929-E932 PolarHBondContact O-N 3.32Å; E932-R935 IonicContact OE1-NE 2.98Å; E932-R935 PolarHBondContact OE1-NE 3.23Å; E932-R935 IonicContact OE2-CZ 3.47Å; E932-R935 IonicContact OE2-NE 2.65Å; E932-R935 PolarHBondContact OE2-NE 3.28Å; E932-R935 IonicContact OE2-NH2 2.67Å; E932-R935 PolarHBondContact OE2-NH2 3.16Å; E932-S936 WeakPolarHBondContact O-CB 3.15Å; E932-S936 PolarHBondContact O-N 3.28Å; E932-S936 PolarHBondContact O-OG 2.76Å; E932-I963 HydrophobicContact CB-CD1 4.11Å; E932-I963 HydrophobicContact CG-CD1 3.76Å; E932-F969 HydrophobicContact CB-CZ 4Å; E932-R1067 IonicContact OE1-NE 2.86Å; E932-R1067 PolarHBondContact OE1-NE 3.23Å; E932-R1067 IonicContact OE2-CZ 3.34Å; E932-R1067 VanDerWaalsContact OE2-CZ 3.27Å; E932-R1067 IonicContact OE2-NE 3.89Å; E932-R1067 PolarHBondContact OE2-NE 3.1Å; E932-R1067 IonicContact OE2-NH2 2.78Å; E932-R1067 PolarHBondContact OE2-NH2 3.4Å |
| 933 | L | 84.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 169.9 | -77.1 | 172.9 | 0 | 0 | 0 | 111.4 | M929 A930 R935 S936 L937 A944 L948 L951 L959 V971 | M929-L933 WeakPolarHBondContact O-CG 3.37Å; M929-L933 PolarHBondContact O-N 3.46Å; A930-L933 PolarHBondContact O-N 3.28Å; L933-R935 VanDerWaalsContact C-N 3.27Å; L933-R935 PolarHBondContact O-N 3.19Å; L933-S936 PolarHBondContact O-N 3.13Å; L933-S936 VanDerWaalsContact O-N 3.15Å; L933-L937 WeakPolarHBondContact O-CB 3.34Å; L933-L937 PolarHBondContact O-N 3.39Å; L933-A944 HydrophobicContact CB-CB 4.37Å; L933-L948 HydrophobicContact CD1-CB 3.83Å; L933-L948 HydrophobicContact CD1-CD1 3.71Å; L933-L948 HydrophobicContact CD1-CG 4.36Å; L933-L951 HydrophobicContact CD1-CD1 4.37Å; L933-L959 HydrophobicContact CD1-CD2 3.73Å; L933-L959 HydrophobicContact CD2-CD2 4.13Å; L933-L959 HydrophobicContact CG-CD2 3.8Å; L933-V971 HydrophobicContact CD2-CG1 4.09Å; L933-V971 HydrophobicContact CD2-CG2 4.29Å |
| 934 | A | 83.8 | Confident | 82.9 | Confident | 17 Ų | 17 | 35.1 Ų | 35.1 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.5 | -43.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A930 T931 H938 C939 A944 | A930-A934 PolarHBondContact O-N 3.22Å; T931-A934 PolarHBondContact O-N 3.21Å; A934-H938 WeakPolarHBondContact O-CA 3.3Å; A934-H938 PolarHBondContact O-N 2.89Å; A934-C939 PolarHBondContact O-N 3.31Å; A934-A944 HydrophobicContact CB-CB 3.6Å |
| 935 | R | 80 | Confident | 82.9 | Confident | 118 Ų | 118 | 35.1 Ų | 35.1 | 45% | 0.445 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 176.7 | -172.1 | -173 | 63.9 | 68.9 | 6.8 | 112 | T931 E932 L933 H938 | T931-R935 PolarHBondContact O-N 3.1Å; E932-R935 IonicContact OE1-NE 2.98Å; E932-R935 PolarHBondContact OE1-NE 3.23Å; E932-R935 IonicContact OE2-CZ 3.47Å; E932-R935 IonicContact OE2-NE 2.65Å; E932-R935 PolarHBondContact OE2-NE 3.28Å; E932-R935 IonicContact OE2-NH2 2.67Å; E932-R935 PolarHBondContact OE2-NH2 3.16Å; L933-R935 VanDerWaalsContact C-N 3.27Å; L933-R935 PolarHBondContact O-N 3.19Å; R935-H938 PolarHBondContact O-CE1 3.19Å; R935-H938 PolarHBondContact O-ND1 3.11Å |
| 936 | S | 81.1 | Confident | 82.6 | Confident | 21 Ų | 21 | 40.4 Ų | 40.4 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -76 | -35.3 | -174 | -53.6 | 0 | 0 | 0 | 0 | 112.6 | E932 L933 | E932-S936 WeakPolarHBondContact O-CB 3.15Å; E932-S936 PolarHBondContact O-N 3.28Å; E932-S936 PolarHBondContact O-OG 2.76Å; L933-S936 PolarHBondContact O-N 3.13Å; L933-S936 VanDerWaalsContact O-N 3.15Å |
| 937 | L | 79.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -88.5 | -6.7 | 178.1 | -67.7 | 175.7 | 0 | 0 | 0 | 113.5 | L933 C939 V971 R973 I987 | L933-L937 WeakPolarHBondContact O-CB 3.34Å; L933-L937 PolarHBondContact O-N 3.39Å; L937-C939 VanDerWaalsContact C-N 3.26Å; L937-C939 HydrophobicContact CB-CB 4.43Å; L937-C939 PolarHBondContact O-N 2.94Å; L937-V971 HydrophobicContact CD2-CB 4.3Å; L937-V971 HydrophobicContact CD2-CG1 3.71Å; L937-V971 HydrophobicContact CG-CG1 4.02Å; L937-R973 HydrophobicContact CD2-CG 3.97Å; L937-I987 HydrophobicContact CD1-CD1 4.33Å |
| 938 | H | 79.3 | Confident | 82.6 | Confident | 179 Ų | 179 | 40.3 Ų | 40.3 | 83% | 0.829 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 40.5 | -174.3 | -57.1 | -56.6 | 0 | 0 | 0 | 113.5 | A934 R935 | A934-H938 WeakPolarHBondContact O-CA 3.3Å; A934-H938 PolarHBondContact O-N 2.89Å; R935-H938 PolarHBondContact O-CE1 3.19Å; R935-H938 PolarHBondContact O-ND1 3.11Å |
| 939 | C | 81.9 | Confident | 82.8 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | trans | -114.2 | 174.6 | -177.5 | 64.9 | 0 | 0 | 0 | 0 | 113 | A934 L937 E943 | A934-C939 PolarHBondContact O-N 3.31Å; L937-C939 VanDerWaalsContact C-N 3.26Å; L937-C939 HydrophobicContact CB-CB 4.43Å; L937-C939 PolarHBondContact O-N 2.94Å; C939-E943 HydrophobicContact CB-CB 4.03Å; C939-E943 WeakPolarHBondContact CB-OE2 2.94Å | ||
| 940 | S | 82.6 | Confident | 82.8 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 36% | 0.357 | 22% | 0.221 | S | C | . | . | trans | -68 | 158.3 | 172.8 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | E942 E943 A944 | S940-E942 PolarHBondContact O-N 2.88Å; S940-E943 PolarHBondContact O-N 3.41Å; S940-E943 WeakPolarHBondContact OG-CB 3.42Å; S940-E943 WeakPolarHBondContact OG-CG 2.91Å; S940-E943 PolarHBondContact OG-N 2.63Å; S940-E943 PolarHBondContact OG-OE1 3.21Å; S940-A944 WeakPolarHBondContact O-CB 3.26Å; S940-A944 PolarHBondContact O-N 3.44Å | ||
| 941 | G | 74 | Confident | 82.9 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -28.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y709 S945 | Y709-G941 WeakPolarHBondContact CD1-O 3.44Å; G941-S945 PolarHBondContact O-N 3.47Å; G941-S945 VanDerWaalsContact O-N 3.09Å; G941-S945 PolarHBondContact O-OG 2.91Å |
| 942 | E | 76.8 | Confident | 83.4 | Confident | 129 Ų | 129 | 42.7 Ų | 42.7 | 60% | 0.603 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -69.9 | -50.5 | 175.3 | -67.6 | 176.1 | 171.7 | 0 | 0 | 110.6 | Y709 S940 A944 S945 E946 | Y709-E942 HydrophobicContact CE1-CG 4.25Å; S940-E942 PolarHBondContact O-N 2.88Å; E942-A944 VanDerWaalsContact C-N 3.26Å; E942-A944 PolarHBondContact O-N 3.31Å; E942-S945 WeakPolarHBondContact O-CB 3.33Å; E942-S945 PolarHBondContact O-N 3.2Å; E942-E946 PolarHBondContact O-N 3.46Å; E942-E946 VanDerWaalsContact O-N 3.07Å |
| 943 | E | 79.2 | Confident | 83.9 | Confident | 86 Ų | 86 | 42 Ų | 42 | 40% | 0.402 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.6 | -37.7 | 174.4 | -74.6 | 173.5 | -131 | 0 | 0 | 112.3 | C939 S940 S945 S947 R973 | C939-E943 HydrophobicContact CB-CB 4.03Å; C939-E943 WeakPolarHBondContact CB-OE2 2.94Å; S940-E943 PolarHBondContact O-N 3.41Å; S940-E943 WeakPolarHBondContact OG-CB 3.42Å; S940-E943 WeakPolarHBondContact OG-CG 2.91Å; S940-E943 PolarHBondContact OG-N 2.63Å; S940-E943 PolarHBondContact OG-OE1 3.21Å; E943-S945 VanDerWaalsContact C-N 3.33Å; E943-S947 VanDerWaalsContact O-CB 3.26Å; E943-S947 WeakPolarHBondContact O-CB 3.37Å; E943-S947 PolarHBondContact O-N 3.43Å; E943-S947 PolarHBondContact O-OG 3.16Å; E943-R973 IonicContact OE2-NH2 3.8Å |
| 944 | A | 84.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.5 | -33.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A930 L933 A934 S940 E942 L948 | A930-A944 WeakPolarHBondContact O-CB 3.42Å; L933-A944 HydrophobicContact CB-CB 4.37Å; A934-A944 HydrophobicContact CB-CB 3.6Å; S940-A944 WeakPolarHBondContact O-CB 3.26Å; S940-A944 PolarHBondContact O-N 3.44Å; E942-A944 VanDerWaalsContact C-N 3.26Å; E942-A944 PolarHBondContact O-N 3.31Å; A944-L948 WeakPolarHBondContact O-CB 3.47Å; A944-L948 PolarHBondContact O-N 3.45Å |
| 945 | S | 84.3 | Confident | 84.6 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71 | -43 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | G941 E942 E943 S947 L948 M949 | G941-S945 PolarHBondContact O-N 3.47Å; G941-S945 VanDerWaalsContact O-N 3.09Å; G941-S945 PolarHBondContact O-OG 2.91Å; E942-S945 WeakPolarHBondContact O-CB 3.33Å; E942-S945 PolarHBondContact O-N 3.2Å; E943-S945 VanDerWaalsContact C-N 3.33Å; S945-S947 VanDerWaalsContact C-N 3.33Å; S945-S947 PolarHBondContact O-N 2.63Å; S945-L948 WeakPolarHBondContact O-CB 3.21Å; S945-L948 PolarHBondContact O-N 3.17Å; S945-M949 WeakPolarHBondContact O-CG 3.42Å; S945-M949 PolarHBondContact O-N 3.42Å |
| 946 | E | 82.4 | Confident | 85.3 | Confident | 112 Ų | 112 | 39 Ų | 39 | 52% | 0.523 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 172.7 | -68.4 | 178.7 | 175.5 | 0 | 0 | 112 | E942 L948 M949 S950 | E942-E946 PolarHBondContact O-N 3.46Å; E942-E946 VanDerWaalsContact O-N 3.07Å; E946-L948 VanDerWaalsContact C-N 3.34Å; E946-L948 PolarHBondContact O-N 3.46Å; E946-M949 PolarHBondContact O-N 3.21Å; E946-S950 PolarHBondContact O-N 3.02Å; E946-S950 VanDerWaalsContact O-N 3.11Å; E946-S950 PolarHBondContact O-OG 2.86Å |
| 947 | S | 85.7 | Confident | 85.8 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -42.3 | 173.8 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | E943 S945 S950 L951 | E943-S947 VanDerWaalsContact O-CB 3.26Å; E943-S947 WeakPolarHBondContact O-CB 3.37Å; E943-S947 PolarHBondContact O-N 3.43Å; E943-S947 PolarHBondContact O-OG 3.16Å; S945-S947 VanDerWaalsContact C-N 3.33Å; S945-S947 PolarHBondContact O-N 2.63Å; S947-S950 WeakPolarHBondContact CA-OG 3.15Å; S947-S950 PolarHBondContact O-N 3.3Å; S947-S950 PolarHBondContact O-OG 3.14Å; S947-L951 WeakPolarHBondContact O-CG 3.48Å; S947-L951 PolarHBondContact O-N 3.29Å |
| 948 | L | 89.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.6 | -177 | 66.2 | 0 | 0 | 0 | 111.1 | L895 M929 A930 L933 A944 S945 E946 S950 L951 M956 L959 | L895-L948 HydrophobicContact CD2-CD2 4.23Å; L895-L948 HydrophobicContact CD2-CG 4.46Å; M929-L948 HydrophobicContact CB-CD1 4.18Å; M929-L948 HydrophobicContact CE-CD1 4.23Å; A930-L948 HydrophobicContact CB-CD2 4.07Å; L933-L948 HydrophobicContact CD1-CB 3.83Å; L933-L948 HydrophobicContact CD1-CD1 3.71Å; L933-L948 HydrophobicContact CD1-CG 4.36Å; A944-L948 WeakPolarHBondContact O-CB 3.47Å; A944-L948 PolarHBondContact O-N 3.45Å; S945-L948 WeakPolarHBondContact O-CB 3.21Å; S945-L948 PolarHBondContact O-N 3.17Å; E946-L948 VanDerWaalsContact C-N 3.34Å; E946-L948 PolarHBondContact O-N 3.46Å; L948-S950 PolarHBondContact O-N 3.13Å; L948-L951 HydrophobicContact CD1-CD1 4.08Å; L948-L951 PolarHBondContact O-N 3.31Å; L948-M956 HydrophobicContact CD1-CE 3.71Å; L948-M956 HydrophobicContact CD1-SD 3.59Å; L948-M956 VanDerWaalsContact CD1-SD 3.59Å; L948-M956 HydrophobicContact CG-CE 3.99Å; L948-M956 HydrophobicContact CG-SD 4.38Å; L948-M956 WeakPolarHBondContact O-CE 3.42Å; L948-L959 HydrophobicContact CD1-CD2 3.91Å |
| 949 | M | 88.4 | Confident | 86.9 | Confident | 29 Ų | 29 | 30.3 Ų | 30.3 | 14% | 0.143 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.2 | -20.8 | -179.5 | -66.2 | -57.1 | -72.6 | 0 | 0 | 113.7 | G826 R829 L895 S945 E946 | G826-M949 VanDerWaalsContact CA-O 3.23Å; G826-M949 WeakPolarHBondContact CA-O 3.26Å; G826-M949 PolarHBondContact N-O 2.61Å; R829-M949 HydrophobicContact CB-CE 4.37Å; R829-M949 PolarHBondContact NH1-O 2.87Å; L895-M949 HydrophobicContact CD2-SD 3.87Å; S945-M949 WeakPolarHBondContact O-CG 3.42Å; S945-M949 PolarHBondContact O-N 3.42Å; E946-M949 PolarHBondContact O-N 3.21Å |
| 950 | S | 89.4 | Confident | 87.4 | Confident | 34 Ų | 34 | 29.1 Ų | 29.1 | 24% | 0.238 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -2.7 | 179.8 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | E946 S947 L948 | E946-S950 PolarHBondContact O-N 3.02Å; E946-S950 VanDerWaalsContact O-N 3.11Å; E946-S950 PolarHBondContact O-OG 2.86Å; S947-S950 WeakPolarHBondContact CA-OG 3.15Å; S947-S950 PolarHBondContact O-N 3.3Å; S947-S950 PolarHBondContact O-OG 3.14Å; L948-S950 PolarHBondContact O-N 3.13Å |
| 951 | L | 90.9 | Very high | 87.8 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -64 | 145.7 | 174.8 | -67.2 | -178.1 | 0 | 0 | 0 | 112 | W825 R829 L933 S947 L948 D955 M956 L959 I987 | W825-L951 WeakPolarHBondContact CB-O 3.5Å; R829-L951 PolarHBondContact NH1-O 3.49Å; R829-L951 PolarHBondContact NH2-O 3.28Å; R829-L951 VanDerWaalsContact NH2-O 3.13Å; L933-L951 HydrophobicContact CD1-CD1 4.37Å; S947-L951 WeakPolarHBondContact O-CG 3.48Å; S947-L951 PolarHBondContact O-N 3.29Å; L948-L951 HydrophobicContact CD1-CD1 4.08Å; L948-L951 PolarHBondContact O-N 3.31Å; L951-D955 HydrophobicContact CB-CB 4.28Å; L951-D955 HydrophobicContact CD2-CB 4.23Å; L951-M956 HydrophobicContact CB-CB 4.49Å; L951-M956 HydrophobicContact CB-CE 4.16Å; L951-M956 HydrophobicContact CD1-CE 4.31Å; L951-M956 HydrophobicContact CD1-SD 4.48Å; L951-L959 HydrophobicContact CD1-CD2 4.05Å; L951-I987 HydrophobicContact CD2-CB 3.77Å; L951-I987 HydrophobicContact CD2-CD1 3.93Å; L951-I987 HydrophobicContact CD2-CG1 4.4Å; L951-I987 HydrophobicContact CD2-CG2 3.99Å |
| 952 | S | 92 | Very high | 88.3 | Confident | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | trans | -62.2 | 156.5 | 168.1 | 71.6 | 0 | 0 | 0 | 0 | 111.1 | D535 F954 D955 M956 | D535-S952 WeakPolarHBondContact OD2-CB 3.29Å; S952-F954 PolarHBondContact O-N 3.15Å; S952-D955 PolarHBondContact O-N 3.14Å; S952-D955 WeakPolarHBondContact OG-CB 3.31Å; S952-D955 PolarHBondContact OG-N 2.9Å; S952-D955 PolarHBondContact OG-OD2 3Å; S952-M956 WeakPolarHBondContact O-CB 3.36Å; S952-M956 PolarHBondContact O-N 3.27Å | ||
| 953 | P | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -48.4 | -44.5 | 170.1 | -31.3 | 37.4 | 0 | 0 | 0 | 113.8 | Y531 L532 D535 M538 W825 Y902 K957 | Y531-P953 HydrophobicContact CD2-CG 4.42Å; Y531-P953 HydrophobicContact CE2-CG 4.34Å; L532-P953 HydrophobicContact CD2-CB 3.8Å; L532-P953 HydrophobicContact CD2-CG 4.12Å; D535-P953 HydrophobicContact CB-CB 4.27Å; D535-P953 HydrophobicContact CB-CG 4.05Å; M538-P953 HydrophobicContact CB-CB 4.17Å; M538-P953 HydrophobicContact CG-CB 4.05Å; W825-P953 HydrophobicContact CE3-CG 4.25Å; W825-P953 HydrophobicContact CZ3-CG 4.13Å; Y902-P953 WeakPolarHBondContact OH-CA 3.27Å; Y902-P953 WeakPolarHBondContact OH-CB 3.49Å; Y902-P953 PolarHBondContact OH-O 3.23Å; P953-K957 WeakPolarHBondContact O-CB 3.2Å; P953-K957 PolarHBondContact O-N 3.1Å |
| 954 | F | 92.6 | Very high | 89.1 | Confident | 40 Ų | 40 | 18.5 Ų | 18.5 | 18% | 0.175 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.8 | -44.3 | 179.3 | -178.2 | -103.1 | 0 | 0 | 0 | 112.9 | D535 Q537 M538 S952 M956 K957 N958 | D535-F954 WeakPolarHBondContact OD2-CB 3.42Å; D535-F954 PolarHBondContact OD2-N 3.41Å; Q537-F954 HydrophobicContact CB-CB 3.84Å; Q537-F954 HydrophobicContact CB-CD1 3.8Å; Q537-F954 HydrophobicContact CB-CD2 3.76Å; Q537-F954 HydrophobicContact CB-CE1 4.22Å; Q537-F954 HydrophobicContact CB-CE2 4.22Å; Q537-F954 HydrophobicContact CB-CG 3.52Å; Q537-F954 HydrophobicContact CB-CZ 4.43Å; Q537-F954 HydrophobicContact CG-CD1 4.39Å; M538-F954 HydrophobicContact CB-CB 4.48Å; S952-F954 PolarHBondContact O-N 3.15Å; F954-M956 PolarHBondContact O-N 3.02Å; F954-K957 PolarHBondContact O-N 2.84Å; F954-N958 VanDerWaalsContact CD1-ND2 3.28Å; F954-N958 WeakPolarHBondContact CD1-ND2 3.45Å; F954-N958 WeakPolarHBondContact CE1-ND2 3.39Å; F954-N958 VanDerWaalsContact CZ-ND2 3.29Å; F954-N958 WeakPolarHBondContact CZ-ND2 3.4Å; F954-N958 PolarHBondContact O-N 2.64Å; F954-N958 PolarHBondContact O-ND2 3.46Å |
| 955 | D | 91 | Very high | 89.1 | Confident | 34 Ų | 34 | 19.4 Ų | 19.4 | 18% | 0.182 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.6 | -39.1 | 178.5 | -67.1 | -45.8 | 0 | 0 | 0 | 111.8 | L951 S952 N958 L959 | L951-D955 HydrophobicContact CB-CB 4.28Å; L951-D955 HydrophobicContact CD2-CB 4.23Å; S952-D955 PolarHBondContact O-N 3.14Å; S952-D955 WeakPolarHBondContact OG-CB 3.31Å; S952-D955 PolarHBondContact OG-N 2.9Å; S952-D955 PolarHBondContact OG-OD2 3Å; D955-N958 PolarHBondContact O-N 3.17Å; D955-L959 PolarHBondContact O-N 3.36Å |
| 956 | M | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 173 | -175.5 | 67.8 | 69.7 | 0 | 0 | 111.2 | L895 Y902 M929 L948 L951 S952 F954 N958 L959 L960 | L895-M956 HydrophobicContact CD1-CE 3.42Å; L895-M956 VanDerWaalsContact CD1-CE 3.42Å; L895-M956 HydrophobicContact CD1-CG 4.17Å; L895-M956 HydrophobicContact CD1-SD 3.79Å; Y902-M956 HydrophobicContact CD2-CG 4.3Å; Y902-M956 HydrophobicContact CE2-CB 4Å; Y902-M956 HydrophobicContact CE2-CG 3.67Å; M929-M956 HydrophobicContact CE-CG 4.28Å; M929-M956 HydrophobicContact CE-SD 3.39Å; M929-M956 WeakPolarHBondContact CE-SD 3.43Å; L948-M956 HydrophobicContact CD1-CE 3.71Å; L948-M956 HydrophobicContact CD1-SD 3.59Å; L948-M956 VanDerWaalsContact CD1-SD 3.59Å; L948-M956 HydrophobicContact CG-CE 3.99Å; L948-M956 HydrophobicContact CG-SD 4.38Å; L948-M956 WeakPolarHBondContact O-CE 3.42Å; L951-M956 HydrophobicContact CB-CB 4.49Å; L951-M956 HydrophobicContact CB-CE 4.16Å; L951-M956 HydrophobicContact CD1-CE 4.31Å; L951-M956 HydrophobicContact CD1-SD 4.48Å; S952-M956 WeakPolarHBondContact O-CB 3.36Å; S952-M956 PolarHBondContact O-N 3.27Å; F954-M956 PolarHBondContact O-N 3.02Å; M956-N958 VanDerWaalsContact C-N 3.34Å; M956-N958 PolarHBondContact O-N 2.84Å; M956-L959 PolarHBondContact O-N 3.3Å; M956-L960 PolarHBondContact O-N 2.7Å; M956-L960 VanDerWaalsContact O-N 3.07Å |
| 957 | K | 92.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 176.8 | 173 | 170.6 | 178 | -67.2 | 0 | 112.3 | M538 E541 Y902 M905 Y906 P953 F954 H961 | M538-K957 HydrophobicContact CE-CD 4.42Å; M538-K957 HydrophobicContact SD-CD 4.06Å; E541-K957 HydrophobicContact CG-CD 4.19Å; E541-K957 IonicContact OE1-NZ 3.29Å; E541-K957 PolarHBondContact OE1-NZ 3.38Å; Y902-K957 HydrophobicContact CD1-CB 4.08Å; Y902-K957 HydrophobicContact CD1-CD 4.09Å; Y902-K957 HydrophobicContact CD1-CG 4.32Å; Y902-K957 HydrophobicContact CD2-CB 3.96Å; Y902-K957 HydrophobicContact CE1-CB 4.33Å; Y902-K957 HydrophobicContact CE2-CB 4.22Å; Y902-K957 HydrophobicContact CG-CB 3.9Å; Y902-K957 HydrophobicContact CG-CD 4.43Å; Y902-K957 HydrophobicContact CG-CG 4.2Å; M905-K957 HydrophobicContact CE-CD 4.27Å; M905-K957 HydrophobicContact SD-CD 4.21Å; Y906-K957 HydrophobicContact CE2-CG 3.88Å; Y906-K957 WeakPolarHBondContact CE2-O 3.46Å; Y906-K957 WeakPolarHBondContact OH-CG 3.3Å; Y906-K957 PolarHBondContact OH-NZ 3.08Å; Y906-K957 PolarHBondContact OH-O 2.71Å; P953-K957 WeakPolarHBondContact O-CB 3.2Å; P953-K957 PolarHBondContact O-N 3.1Å; F954-K957 PolarHBondContact O-N 2.84Å; K957-H961 PolarHBondContact O-N 2.99Å; K957-H961 VanDerWaalsContact O-N 3.15Å |
| 958 | N | 90.1 | Very high | 87.4 | Confident | 39 Ų | 39 | 21.1 Ų | 21.1 | 21% | 0.209 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.9 | -42.5 | 176.6 | -75.7 | -26.3 | 0 | 0 | 0 | 112.5 | F954 D955 M956 L960 H961 H962 | F954-N958 VanDerWaalsContact CD1-ND2 3.28Å; F954-N958 WeakPolarHBondContact CD1-ND2 3.45Å; F954-N958 WeakPolarHBondContact CE1-ND2 3.39Å; F954-N958 VanDerWaalsContact CZ-ND2 3.29Å; F954-N958 WeakPolarHBondContact CZ-ND2 3.4Å; F954-N958 PolarHBondContact O-N 2.64Å; F954-N958 PolarHBondContact O-ND2 3.46Å; D955-N958 PolarHBondContact O-N 3.17Å; M956-N958 VanDerWaalsContact C-N 3.34Å; M956-N958 PolarHBondContact O-N 2.84Å; N958-L960 VanDerWaalsContact C-N 3.26Å; N958-L960 PolarHBondContact O-N 2.83Å; N958-H961 WeakPolarHBondContact O-CB 3.34Å; N958-H961 PolarHBondContact O-N 2.79Å; N958-H961 VanDerWaalsContact O-N 3.13Å; N958-H962 PolarHBondContact O-N 3.33Å; N958-H962 VanDerWaalsContact O-N 3.11Å; N958-H962 PolarHBondContact O-ND1 3.48Å |
| 959 | L | 90.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.2 | -46.2 | 173.6 | -179.1 | 56.7 | 0 | 0 | 0 | 110.4 | M929 L933 L948 L951 D955 M956 H961 H962 I963 F969 I989 | M929-L959 HydrophobicContact CB-CD2 3.95Å; M929-L959 HydrophobicContact CB-CG 4.35Å; M929-L959 HydrophobicContact CE-CB 3.92Å; M929-L959 HydrophobicContact CE-CD2 3.73Å; M929-L959 HydrophobicContact CE-CG 3.75Å; M929-L959 HydrophobicContact CG-CD2 4.29Å; M929-L959 HydrophobicContact CG-CG 4.19Å; L933-L959 HydrophobicContact CD1-CD2 3.73Å; L933-L959 HydrophobicContact CD2-CD2 4.13Å; L933-L959 HydrophobicContact CG-CD2 3.8Å; L948-L959 HydrophobicContact CD1-CD2 3.91Å; L951-L959 HydrophobicContact CD1-CD2 4.05Å; D955-L959 PolarHBondContact O-N 3.36Å; M956-L959 PolarHBondContact O-N 3.3Å; L959-H961 VanDerWaalsContact C-N 3.34Å; L959-H961 PolarHBondContact O-N 2.87Å; L959-H962 PolarHBondContact O-N 3.17Å; L959-H962 VanDerWaalsContact O-N 3.15Å; L959-I963 WeakPolarHBondContact O-CG1 3.47Å; L959-I963 PolarHBondContact O-N 3.44Å; L959-F969 HydrophobicContact CD1-CE2 3.64Å; L959-F969 HydrophobicContact CD1-CZ 3.57Å; L959-I989 HydrophobicContact CB-CD1 3.73Å; L959-I989 HydrophobicContact CD1-CD1 4.3Å; L959-I989 HydrophobicContact CG-CD1 4.45Å |
| 960 | L | 92.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.3 | -42.6 | 176.6 | 179.4 | 62.8 | 0 | 0 | 0 | 112.6 | I899 Y902 L903 Y906 I925 M929 M956 N958 H962 I963 L964 | I899-L960 HydrophobicContact CG2-CD2 4.24Å; Y902-L960 HydrophobicContact CD2-CD2 4.48Å; L903-L960 HydrophobicContact CD2-CD1 4.17Å; L903-L960 HydrophobicContact CD2-CD2 3.98Å; L903-L960 HydrophobicContact CD2-CG 4.42Å; L903-L960 HydrophobicContact CG-CD2 4.05Å; Y906-L960 HydrophobicContact CD2-CD2 4.33Å; Y906-L960 HydrophobicContact CE2-CD2 4.28Å; Y906-L960 HydrophobicContact CE2-CG 4.41Å; I925-L960 HydrophobicContact CG2-CD1 3.48Å; I925-L960 VanDerWaalsContact CG2-CD1 3.48Å; M929-L960 HydrophobicContact CE-CB 4.16Å; M929-L960 HydrophobicContact SD-CB 4.39Å; M929-L960 HydrophobicContact SD-CD1 4.17Å; M956-L960 PolarHBondContact O-N 2.7Å; M956-L960 VanDerWaalsContact O-N 3.07Å; N958-L960 VanDerWaalsContact C-N 3.26Å; N958-L960 PolarHBondContact O-N 2.83Å; L960-H962 VanDerWaalsContact C-N 3.3Å; L960-H962 PolarHBondContact O-N 2.88Å; L960-I963 PolarHBondContact O-N 3.38Å; L960-L964 HydrophobicContact CD1-CD1 4.32Å; L960-L964 HydrophobicContact CD1-CG 4.22Å; L960-L964 HydrophobicContact CG-CD1 4.21Å; L960-L964 HydrophobicContact CG-CG 4.48Å; L960-L964 WeakPolarHBondContact O-CG 3.46Å; L960-L964 PolarHBondContact O-N 3.38Å |
| 961 | H | 90.6 | Very high | 85.1 | Confident | 33 Ų | 33 | 20 Ų | 20 | 15% | 0.153 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.6 | -42.3 | 175.9 | -177.3 | -91.2 | 0 | 0 | 0 | 112.3 | Y906 Q910 K957 N958 L959 L964 S965 | Y906-H961 HydrophobicContact CE1-CB 4.24Å; Y906-H961 AromaticContact CE1-CD2 3.61Å; Y906-H961 HydrophobicContact CE2-CB 4.18Å; Y906-H961 AromaticContact CZ-CD2 4Å; Y906-H961 WeakPolarHBondContact OH-CB 3.37Å; Q910-H961 PolarHBondContact OE1-NE2 3.4Å; K957-H961 PolarHBondContact O-N 2.99Å; K957-H961 VanDerWaalsContact O-N 3.15Å; N958-H961 WeakPolarHBondContact O-CB 3.34Å; N958-H961 PolarHBondContact O-N 2.79Å; N958-H961 VanDerWaalsContact O-N 3.13Å; L959-H961 VanDerWaalsContact C-N 3.34Å; L959-H961 PolarHBondContact O-N 2.87Å; H961-L964 PolarHBondContact O-N 2.78Å; H961-S965 VanDerWaalsContact O-CB 3.24Å; H961-S965 WeakPolarHBondContact O-CB 3.21Å; H961-S965 PolarHBondContact O-N 3.32Å; H961-S965 PolarHBondContact O-OG 2.77Å |
| 962 | H | 86.1 | Confident | 84.1 | Confident | 21 Ų | 21 | 26 Ų | 26 | 10% | 0.097 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.5 | -37.7 | 179.9 | -66.7 | 8.4 | 0 | 0 | 0 | 111.8 | N958 L959 L960 S965 G966 F969 | N958-H962 PolarHBondContact O-N 3.33Å; N958-H962 VanDerWaalsContact O-N 3.11Å; N958-H962 PolarHBondContact O-ND1 3.48Å; L959-H962 PolarHBondContact O-N 3.17Å; L959-H962 VanDerWaalsContact O-N 3.15Å; L960-H962 VanDerWaalsContact C-N 3.3Å; L960-H962 PolarHBondContact O-N 2.88Å; H962-S965 WeakPolarHBondContact CA-OG 3.33Å; H962-S965 PolarHBondContact O-OG 2.8Å; H962-G966 PolarHBondContact O-N 2.87Å; H962-F969 HydrophobicContact CB-CD1 3.48Å; H962-F969 VanDerWaalsContact CB-CD1 3.48Å; H962-F969 HydrophobicContact CB-CE1 3.74Å; H962-F969 HydrophobicContact CB-CG 4.09Å; H962-F969 WeakPolarHBondContact CD2-CB 3.29Å; H962-F969 AromaticContact CD2-CD1 3.86Å; H962-F969 AromaticContact CD2-CG 3.55Å |
| 963 | I | 86.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -49.7 | 171.8 | -62 | -48.4 | 0 | 0 | 0 | 111.2 | V928 M929 E932 L959 L960 G966 F969 L1071 | V928-I963 HydrophobicContact CG1-CD1 4.01Å; V928-I963 HydrophobicContact CG1-CG1 4.44Å; V928-I963 HydrophobicContact CG1-CG2 3.85Å; M929-I963 HydrophobicContact CG-CG1 3.8Å; E932-I963 HydrophobicContact CB-CD1 4.11Å; E932-I963 HydrophobicContact CG-CD1 3.76Å; L959-I963 WeakPolarHBondContact O-CG1 3.47Å; L959-I963 PolarHBondContact O-N 3.44Å; L960-I963 PolarHBondContact O-N 3.38Å; I963-G966 PolarHBondContact O-N 3.29Å; I963-F969 HydrophobicContact CD1-CE1 4.21Å; I963-F969 HydrophobicContact CD1-CZ 4.24Å; I963-L1071 HydrophobicContact CD1-CD2 4.23Å; I963-L1071 HydrophobicContact CG2-CD2 4.09Å |
| 964 | L | 86.4 | Confident | 81.2 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -39.3 | -177.6 | -66.5 | 179.3 | 0 | 0 | 0 | 112.9 | L903 Y906 L913 F914 M917 L960 H961 G966 R1077 | L903-L964 HydrophobicContact CD2-CD1 3.7Å; L903-L964 HydrophobicContact CD2-CD2 4.44Å; Y906-L964 HydrophobicContact CD2-CD1 4.43Å; L913-L964 HydrophobicContact CB-CB 4.48Å; F914-L964 HydrophobicContact CE1-CD1 4.3Å; F914-L964 HydrophobicContact CE2-CD1 4.48Å; F914-L964 HydrophobicContact CZ-CD1 3.93Å; M917-L964 HydrophobicContact CE-CD2 4.13Å; L960-L964 HydrophobicContact CD1-CD1 4.32Å; L960-L964 HydrophobicContact CD1-CG 4.22Å; L960-L964 HydrophobicContact CG-CD1 4.21Å; L960-L964 HydrophobicContact CG-CG 4.48Å; L960-L964 WeakPolarHBondContact O-CG 3.46Å; L960-L964 PolarHBondContact O-N 3.38Å; H961-L964 PolarHBondContact O-N 2.78Å; L964-G966 VanDerWaalsContact C-N 3.31Å; L964-R1077 PolarHBondContact O-NH1 2.67Å; L964-R1077 PolarHBondContact O-NH2 3.14Å |
| 965 | S | 83.4 | Confident | 78.9 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.2 | -24.5 | 179.4 | 64.9 | 0 | 0 | 0 | 0 | 113 | H961 H962 K967 | H961-S965 VanDerWaalsContact O-CB 3.24Å; H961-S965 WeakPolarHBondContact O-CB 3.21Å; H961-S965 PolarHBondContact O-N 3.32Å; H961-S965 PolarHBondContact O-OG 2.77Å; H962-S965 WeakPolarHBondContact CA-OG 3.33Å; H962-S965 PolarHBondContact O-OG 2.8Å; S965-K967 PolarHBondContact O-N 3.31Å; S965-K967 PolarHBondContact OG-N 2.91Å |
| 966 | G | 73.8 | Confident | 76.8 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 14.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H962 I963 L964 | H962-G966 PolarHBondContact O-N 2.87Å; I963-G966 PolarHBondContact O-N 3.29Å; L964-G966 VanDerWaalsContact C-N 3.31Å |
| 967 | K | 73.8 | Confident | 74.1 | Confident | 85 Ų | 85 | 49.1 Ų | 49.1 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | trans | -72 | 155 | 174.1 | -70.7 | -177.4 | 170.7 | -169.4 | 0 | 110.9 | S965 E991 | S965-K967 PolarHBondContact O-N 3.31Å; S965-K967 PolarHBondContact OG-N 2.91Å; K967-E991 WeakPolarHBondContact CD-OE1 2.97Å; K967-E991 IonicContact NZ-OE1 3.84Å; K967-E991 PolarHBondContact NZ-OE1 2.77Å | ||
| 968 | E | 69.7 | Low | 71.3 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | trans | -80.6 | 146.6 | 172.5 | -67.6 | -177.9 | 158.6 | 0 | 0 | 110.4 | L992 T995 | E968-L992 HydrophobicContact CB-CB 4.38Å; E968-L992 PolarHBondContact O-N 3.31Å; E968-T995 PolarHBondContact OE2-OG1 3.25Å | ||
| 969 | F | 74.3 | Confident | 68.6 | Low | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 152 | -178.2 | 61.5 | -89.9 | 0 | 0 | 0 | 111.3 | E932 L959 H962 I963 V971 I989 H990 L992 | E932-F969 HydrophobicContact CB-CZ 4Å; L959-F969 HydrophobicContact CD1-CE2 3.64Å; L959-F969 HydrophobicContact CD1-CZ 3.57Å; H962-F969 HydrophobicContact CB-CD1 3.48Å; H962-F969 VanDerWaalsContact CB-CD1 3.48Å; H962-F969 HydrophobicContact CB-CE1 3.74Å; H962-F969 HydrophobicContact CB-CG 4.09Å; H962-F969 WeakPolarHBondContact CD2-CB 3.29Å; H962-F969 AromaticContact CD2-CD1 3.86Å; H962-F969 AromaticContact CD2-CG 3.55Å; I963-F969 HydrophobicContact CD1-CE1 4.21Å; I963-F969 HydrophobicContact CD1-CZ 4.24Å; F969-V971 HydrophobicContact CD2-CG2 3.78Å; F969-V971 HydrophobicContact CE2-CG2 3.77Å; F969-I989 HydrophobicContact CD2-CG2 4.06Å; F969-H990 WeakPolarHBondContact CA-O 3.41Å; F969-L992 VanDerWaalsContact C-CD1 3.43Å |
| 970 | G | 67.5 | Low | 66.1 | Low | 21 Ų | 21 | 66.2 Ų | 66.2 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 150 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | H990 | G970-H990 PolarHBondContact N-O 2.67Å; G970-H990 PolarHBondContact O-N 3.41Å |
| 971 | V | 75.2 | Confident | 63.7 | Low | 13 Ų | 13 | 70.5 Ų | 70.5 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.9 | 176.2 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | L933 L937 F969 I987 S988 I989 | L933-V971 HydrophobicContact CD2-CG1 4.09Å; L933-V971 HydrophobicContact CD2-CG2 4.29Å; L937-V971 HydrophobicContact CD2-CB 4.3Å; L937-V971 HydrophobicContact CD2-CG1 3.71Å; L937-V971 HydrophobicContact CG-CG1 4.02Å; F969-V971 HydrophobicContact CD2-CG2 3.78Å; F969-V971 HydrophobicContact CE2-CG2 3.77Å; V971-I987 HydrophobicContact CG1-CG2 3.35Å; V971-S988 WeakPolarHBondContact CA-O 3.41Å; V971-I989 HydrophobicContact CG2-CG1 4.43Å |
| 972 | E | 70.3 | Confident | 61.6 | Low | 130 Ų | 130 | 69.8 Ų | 69.8 | 61% | 0.607 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 145.5 | 179.4 | -66.2 | -176.5 | -179.8 | 0 | 0 | 111 | S988 | E972-S988 PolarHBondContact N-O 3.4Å; E972-S988 PolarHBondContact O-N 3.03Å |
| 973 | R | 67.6 | Low | 59.7 | Low | 130 Ų | 130 | 73.8 Ų | 73.8 | 49% | 0.491 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 114.8 | 169.5 | -70.4 | -175.8 | 176.7 | 171.6 | 0.2 | 108.5 | L937 E943 | L937-R973 HydrophobicContact CD2-CG 3.97Å; E943-R973 IonicContact OE2-NH2 3.8Å |
| 974 | S | 56.8 | Low | 57.9 | Low | 57 Ų | 57 | 76.4 Ų | 76.4 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.6 | 174.7 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | R976 A986 | S974-R976 PolarHBondContact O-N 3.19Å; S974-A986 PolarHBondContact N-O 2.82Å; S974-A986 PolarHBondContact O-N 3.34Å |
| 975 | M | 44.2 | Very low | 56.3 | Low | 186 Ų | 186 | 80.2 Ų | 80.2 | 92% | 0.916 | 44% | 0.435 | S | S | * | . | trans | -79.4 | 114.5 | 172.4 | -69.4 | -169.3 | 179 | 0 | 0 | 109.5 | ||||
| 976 | R | 46.4 | Very low | 55.1 | Low | 91 Ų | 91 | 80.4 Ų | 80.4 | 34% | 0.343 | 44% | 0.438 | S | S | . | . | trans | -70.2 | 150.8 | 172.3 | -67.3 | -172 | -174.3 | -170.5 | 5 | 110.6 | S974 A982 A986 | S974-R976 PolarHBondContact O-N 3.19Å; R976-A982 VanDerWaalsContact NH1-CB 3.28Å; R976-A986 HydrophobicContact CG-CB 4.15Å | ||
| 977 | P | 36.8 | Very low | 55 | Low | 105 Ų | 105 | 79.8 Ų | 79.8 | 68% | 0.682 | 43% | 0.428 | S | S | * | . | trans | -57.2 | 147.3 | 171.5 | -19.7 | 30.5 | 0 | 0 | 0 | 111.5 | Q979 S980 | P977-Q979 PolarHBondContact O-N 2.87Å; P977-S980 PolarHBondContact O-N 3Å; P977-S980 VanDerWaalsContact O-N 3.1Å | ||
| 978 | I | 35.3 | Very low | 54.8 | Low | 185 Ų | 185 | 77 Ų | 77 | 95% | 0.949 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -9.7 | -176.9 | -66.5 | 164.1 | 0 | 0 | 0 | 113.9 | ||
| 979 | Q | 32.1 | Very low | 55 | Low | 186 Ų | 186 | 75 Ų | 75 | 87% | 0.869 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -3.7 | -178.6 | -67.8 | 177.5 | -16.1 | 0 | 0 | 114.9 | P977 | P977-Q979 PolarHBondContact O-N 2.87Š|
| 980 | S | 38.5 | Very low | 54.8 | Low | 30 Ų | 30 | 79.8 Ų | 79.8 | 21% | 0.21 | 43% | 0.432 | C | S | . | . | trans | -68.4 | 131.5 | 177.9 | 166.5 | 0 | 0 | 0 | 0 | 111.5 | P977 A982 | P977-S980 PolarHBondContact O-N 3Å; P977-S980 VanDerWaalsContact O-N 3.1Å; S980-A982 PolarHBondContact OG-N 2.96Å | ||
| 981 | T | 42.3 | Very low | 54.5 | Low | 89 Ų | 89 | 83.5 Ų | 83.5 | 55% | 0.546 | 44% | 0.444 | S | S | . | . | trans | -77.7 | -15.9 | 177.9 | 46.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 982 | A | 46.9 | Very low | 53.5 | Low | 18 Ų | 18 | 87.4 Ų | 87.4 | 15% | 0.149 | 46% | 0.464 | C | S | . | . | trans | -79.7 | 139.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R976 S980 | R976-A982 VanDerWaalsContact NH1-CB 3.28Å; S980-A982 PolarHBondContact OG-N 2.96Å | ||
| 983 | T | 46.7 | Very low | 52.4 | Low | 105 Ų | 105 | 84 Ų | 84 | 64% | 0.644 | 46% | 0.464 | S | S | * | . | trans | -86.6 | -12.6 | -171 | 52.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 984 | S | 48.3 | Very low | 51.1 | Low | 57 Ų | 57 | 85.8 Ų | 85.8 | 40% | 0.399 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -104.6 | 144 | -175.6 | -49.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 985 | P | 52.3 | Low | 50.4 | Low | 80 Ų | 80 | 87.9 Ų | 87.9 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | trans | -65.7 | 141 | 176.2 | 26.5 | -32.5 | 0 | 0 | 0 | 111.8 | ||||
| 986 | A | 59.3 | Low | 50.3 | Low | 24 Ų | 24 | 82.2 Ų | 82.2 | 20% | 0.198 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 140 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S974 R976 | S974-A986 PolarHBondContact N-O 2.82Å; S974-A986 PolarHBondContact O-N 3.34Å; R976-A986 HydrophobicContact CG-CB 4.15Å |
| 987 | I | 69.9 | Low | 50 | Low | 15 Ų | 15 | 79.3 Ų | 79.3 | 8% | 0.077 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.7 | 174.9 | -64.2 | 170.2 | 0 | 0 | 0 | 107.7 | L937 L951 V971 | L937-I987 HydrophobicContact CD1-CD1 4.33Å; L951-I987 HydrophobicContact CD2-CB 3.77Å; L951-I987 HydrophobicContact CD2-CD1 3.93Å; L951-I987 HydrophobicContact CD2-CG1 4.4Å; L951-I987 HydrophobicContact CD2-CG2 3.99Å; V971-I987 HydrophobicContact CG1-CG2 3.35Å |
| 988 | S | 70.1 | Confident | 50.4 | Low | 27 Ų | 27 | 78 Ų | 78 | 19% | 0.189 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.4 | 174.6 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | V971 E972 | V971-S988 WeakPolarHBondContact CA-O 3.41Å; E972-S988 PolarHBondContact N-O 3.4Å; E972-S988 PolarHBondContact O-N 3.03Å |
| 989 | I | 74.5 | Confident | 50.8 | Low | 20 Ų | 20 | 75.4 Ų | 75.4 | 10% | 0.103 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.6 | 179.7 | -54.9 | 177.1 | 0 | 0 | 0 | 108.8 | L959 F969 V971 | L959-I989 HydrophobicContact CB-CD1 3.73Å; L959-I989 HydrophobicContact CD1-CD1 4.3Å; L959-I989 HydrophobicContact CG-CD1 4.45Å; F969-I989 HydrophobicContact CD2-CG2 4.06Å; V971-I989 HydrophobicContact CG2-CG1 4.43Å |
| 990 | H | 69.9 | Low | 51.1 | Low | 107 Ų | 107 | 71.8 Ų | 71.8 | 50% | 0.495 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 143.4 | -179 | -59.3 | -55.4 | 0 | 0 | 0 | 112 | F969 G970 | F969-H990 WeakPolarHBondContact CA-O 3.41Å; G970-H990 PolarHBondContact N-O 2.67Å; G970-H990 PolarHBondContact O-N 3.41Å |
| 991 | E | 61.4 | Low | 51.3 | Low | 99 Ų | 99 | 75.6 Ų | 75.6 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 128.3 | 177.7 | -171.3 | 173.3 | -172 | 0 | 0 | 110.3 | K967 | K967-E991 WeakPolarHBondContact CD-OE1 2.97Å; K967-E991 IonicContact NZ-OE1 3.84Å; K967-E991 PolarHBondContact NZ-OE1 2.77Å |
| 992 | L | 54.5 | Low | 51.7 | Low | 94 Ų | 94 | 75.2 Ų | 75.2 | 49% | 0.492 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -88 | 141.3 | 166.9 | -67.7 | 164.7 | 0 | 0 | 0 | 107.5 | E968 F969 | E968-L992 HydrophobicContact CB-CB 4.38Å; E968-L992 PolarHBondContact O-N 3.31Å; F969-L992 VanDerWaalsContact C-CD1 3.43Å |
| 993 | G | 45.8 | Very low | 51.9 | Low | 59 Ų | 59 | 76.8 Ų | 76.8 | 61% | 0.608 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 170.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | T995 | G993-T995 PolarHBondContact O-N 3.04Š|
| 994 | H | 40.3 | Very low | 52.1 | Low | 168 Ų | 168 | 72.7 Ų | 72.7 | 78% | 0.778 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -65.1 | 90.2 | -172.1 | -62.5 | -14.8 | 0 | 0 | 0 | 114.3 | ||
| 995 | T | 42.3 | Very low | 52.4 | Low | 100 Ų | 100 | 71.6 Ų | 71.6 | 61% | 0.613 | 41% | 0.414 | S | S | * | . | trans | -106.6 | 7 | 171.7 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | E968 G993 A997 | E968-T995 PolarHBondContact OE2-OG1 3.25Å; G993-T995 PolarHBondContact O-N 3.04Å; T995-A997 PolarHBondContact O-N 3.04Å | ||
| 996 | G | 42.7 | Very low | 52.5 | Low | 67 Ų | 67 | 75.7 Ų | 75.7 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 119.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 997 | A | 40.8 | Very low | 52.2 | Low | 31 Ų | 31 | 81.4 Ų | 81.4 | 26% | 0.256 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 142.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T995 E1001 | T995-A997 PolarHBondContact O-N 3.04Å; A997-E1001 VanDerWaalsContact CA-OE2 3.29Å; A997-E1001 WeakPolarHBondContact CA-OE2 3.48Å; A997-E1001 HydrophobicContact CB-CB 3.92Å; A997-E1001 WeakPolarHBondContact CB-OE2 3.22Å |
| 998 | T | 43.6 | Very low | 51.4 | Low | 77 Ų | 77 | 81.2 Ų | 81.2 | 47% | 0.472 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 157.6 | -178.7 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | T1000 E1001 R1002 | T998-T1000 PolarHBondContact O-N 2.8Å; T998-T1000 PolarHBondContact OG1-OG1 2.66Å; T998-T1000 VanDerWaalsContact OG1-OG1 3.06Å; T998-E1001 PolarHBondContact N-OE2 2.94Å; T998-E1001 PolarHBondContact O-N 2.96Å; T998-E1001 WeakPolarHBondContact OG1-CG 3.46Å; T998-E1001 PolarHBondContact OG1-OE2 2.81Å; T998-R1002 PolarHBondContact O-N 3.24Å |
| 999 | K | 44.6 | Very low | 50.5 | Low | 131 Ų | 131 | 85.3 Ų | 85.3 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -32.6 | 177.7 | -94.7 | -172.6 | 175.1 | -175.9 | 0 | 113.2 | ||
| 1000 | T | 37.9 | Very low | 49.5 | Very low | 110 Ų | 110 | 87.4 Ų | 87.4 | 68% | 0.675 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -30 | -179.9 | 39 | 0 | 0 | 0 | 0 | 114.3 | T998 R1002 | T998-T1000 PolarHBondContact O-N 2.8Å; T998-T1000 PolarHBondContact OG1-OG1 2.66Å; T998-T1000 VanDerWaalsContact OG1-OG1 3.06Å; T1000-R1002 VanDerWaalsContact C-N 3.32Å |
| 1001 | E | 43.3 | Very low | 48.6 | Very low | 109 Ų | 109 | 86.5 Ų | 86.5 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -22.8 | 175.8 | -72.9 | 167.6 | 141.7 | 0 | 0 | 112.1 | A997 T998 T1003 | A997-E1001 VanDerWaalsContact CA-OE2 3.29Å; A997-E1001 WeakPolarHBondContact CA-OE2 3.48Å; A997-E1001 HydrophobicContact CB-CB 3.92Å; A997-E1001 WeakPolarHBondContact CB-OE2 3.22Å; T998-E1001 PolarHBondContact N-OE2 2.94Å; T998-E1001 PolarHBondContact O-N 2.96Å; T998-E1001 WeakPolarHBondContact OG1-CG 3.46Å; T998-E1001 PolarHBondContact OG1-OE2 2.81Å; E1001-T1003 VanDerWaalsContact C-N 3.29Å; E1001-T1003 PolarHBondContact O-N 2.69Å |
| 1002 | R | 50.9 | Low | 48.1 | Very low | 81 Ų | 81 | 82.6 Ų | 82.6 | 31% | 0.306 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -26.8 | -179.4 | -64.1 | 179.9 | -172.1 | -162.5 | -9.3 | 113.8 | T998 T1000 R1068 | T998-R1002 PolarHBondContact O-N 3.24Å; T1000-R1002 VanDerWaalsContact C-N 3.32Å; R1002-R1068 VanDerWaalsContact CZ-NH2 3.27Å |
| 1003 | T | 50.3 | Low | 47.7 | Very low | 52 Ų | 52 | 84.8 Ų | 84.8 | 32% | 0.319 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -31.9 | -173.8 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | E1001 I1005 | E1001-T1003 VanDerWaalsContact C-N 3.29Å; E1001-T1003 PolarHBondContact O-N 2.69Å; T1003-I1005 WeakPolarHBondContact O-CG1 3.36Å; T1003-I1005 PolarHBondContact O-N 2.85Å |
| 1004 | G | 51.5 | Low | 47.7 | Very low | 18 Ų | 18 | 89.1 Ų | 89.1 | 19% | 0.186 | 46% | 0.464 | C | S | . | . | trans | 62.7 | -0.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | H1006 | G1004-H1006 PolarHBondContact O-N 3Š| ||
| 1005 | I | 53.5 | Low | 47.9 | Very low | 34 Ų | 34 | 86.6 Ų | 86.6 | 17% | 0.174 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -69.2 | -30.5 | -167.1 | -71 | 169.6 | 0 | 0 | 0 | 113 | T1003 K1007 L1008 K1009 M1143 M1211 | T1003-I1005 WeakPolarHBondContact O-CG1 3.36Å; T1003-I1005 PolarHBondContact O-N 2.85Å; I1005-K1007 VanDerWaalsContact C-N 3.34Å; I1005-K1007 PolarHBondContact O-N 2.84Å; I1005-L1008 PolarHBondContact O-N 2.89Å; I1005-K1009 PolarHBondContact O-N 2.98Å; I1005-M1143 HydrophobicContact CD1-CE 3.62Å; I1005-M1211 HydrophobicContact CG1-CE 3.97Å |
| 1006 | H | 55.2 | Low | 47.7 | Very low | 167 Ų | 167 | 86.9 Ų | 86.9 | 77% | 0.773 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.4 | -32.8 | -172.6 | -149.4 | -76.8 | 0 | 0 | 0 | 113.1 | G1004 | G1004-H1006 PolarHBondContact O-N 3Å |
| 1007 | K | 53.3 | Low | 47.5 | Very low | 144 Ų | 144 | 88.5 Ų | 88.5 | 63% | 0.626 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -74.3 | -37.4 | 175.1 | -165.5 | 177.9 | 179.3 | -178.2 | 0 | 111.4 | I1005 S1010 E1011 | I1005-K1007 VanDerWaalsContact C-N 3.34Å; I1005-K1007 PolarHBondContact O-N 2.84Å; K1007-S1010 PolarHBondContact O-N 3.38Å; K1007-S1010 PolarHBondContact O-OG 2.67Å; K1007-E1011 WeakPolarHBondContact O-CG 3.5Å; K1007-E1011 PolarHBondContact O-N 2.7Å |
| 1008 | L | 53.2 | Low | 47.1 | Very low | 11 Ų | 11 | 89.8 Ų | 89.8 | 6% | 0.058 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 177.2 | -171.8 | 72.2 | 0 | 0 | 0 | 112.6 | I1005 S1010 E1011 I1012 V1144 L1147 M1211 S1215 | I1005-L1008 PolarHBondContact O-N 2.89Å; L1008-S1010 VanDerWaalsContact C-N 3.29Å; L1008-S1010 PolarHBondContact O-N 2.68Å; L1008-E1011 PolarHBondContact O-N 2.8Å; L1008-E1011 VanDerWaalsContact O-N 3.1Å; L1008-I1012 HydrophobicContact CD1-CD1 4.23Å; L1008-I1012 HydrophobicContact CD1-CG1 4.38Å; L1008-I1012 HydrophobicContact CD2-CD1 4.03Å; L1008-I1012 HydrophobicContact CG-CD1 3.73Å; L1008-I1012 HydrophobicContact CG-CG1 4.21Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.19Å; L1008-I1012 PolarHBondContact O-N 2.84Å; L1008-V1144 HydrophobicContact CD2-CG2 4.26Å; L1008-L1147 HydrophobicContact CD2-CD1 3.84Å; L1008-L1147 HydrophobicContact CG-CD1 4.42Å; L1008-M1211 HydrophobicContact CD2-CB 4.46Å; L1008-M1211 HydrophobicContact CD2-CE 3.87Å; L1008-S1215 VanDerWaalsContact CD1-OG 3.24Å; L1008-S1215 WeakPolarHBondContact CD1-OG 3.25Å; L1008-S1215 WeakPolarHBondContact CD2-OG 3.23Å |
| 1009 | K | 51 | Low | 46.6 | Very low | 113 Ų | 113 | 89.6 Ų | 89.6 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 177.8 | -170.1 | 177.9 | -177.7 | 178.6 | 0 | 112.5 | I1005 K1013 | I1005-K1009 PolarHBondContact O-N 2.98Å; K1009-K1013 WeakPolarHBondContact O-CB 3.19Å; K1009-K1013 PolarHBondContact O-N 2.94Å |
| 1010 | S | 53 | Low | 46.1 | Very low | 63 Ų | 63 | 91.4 Ų | 91.4 | 44% | 0.441 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70 | -39 | 173.3 | 40.3 | 0 | 0 | 0 | 0 | 112.7 | K1007 L1008 H1014 | K1007-S1010 PolarHBondContact O-N 3.38Å; K1007-S1010 PolarHBondContact O-OG 2.67Å; L1008-S1010 VanDerWaalsContact C-N 3.29Å; L1008-S1010 PolarHBondContact O-N 2.68Å; S1010-H1014 PolarHBondContact O-CD2 3.43Å; S1010-H1014 PolarHBondContact O-N 3.42Å |
| 1011 | E | 51.9 | Low | 45.6 | Very low | 88 Ų | 88 | 91.7 Ų | 91.7 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 179.9 | -70.1 | 170.2 | -174.3 | 0 | 0 | 111.6 | K1007 L1008 H1014 I1015 | K1007-E1011 WeakPolarHBondContact O-CG 3.5Å; K1007-E1011 PolarHBondContact O-N 2.7Å; L1008-E1011 PolarHBondContact O-N 2.8Å; L1008-E1011 VanDerWaalsContact O-N 3.1Å; E1011-H1014 WeakPolarHBondContact O-CB 3.3Å; E1011-H1014 PolarHBondContact O-N 2.9Å; E1011-I1015 WeakPolarHBondContact O-CG1 3.33Å; E1011-I1015 PolarHBondContact O-N 2.96Å; E1011-I1015 VanDerWaalsContact O-N 3.11Å |
| 1012 | I | 49.8 | Very low | 45.2 | Very low | 18 Ų | 18 | 94.3 Ų | 94.3 | 9% | 0.092 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 176.6 | -69.8 | 176.7 | 0 | 0 | 0 | 111.6 | L1008 H1014 I1015 F1016 L1147 | L1008-I1012 HydrophobicContact CD1-CD1 4.23Å; L1008-I1012 HydrophobicContact CD1-CG1 4.38Å; L1008-I1012 HydrophobicContact CD2-CD1 4.03Å; L1008-I1012 HydrophobicContact CG-CD1 3.73Å; L1008-I1012 HydrophobicContact CG-CG1 4.21Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.19Å; L1008-I1012 PolarHBondContact O-N 2.84Å; I1012-H1014 PolarHBondContact O-N 2.75Å; I1012-I1015 PolarHBondContact O-N 3.38Å; I1012-I1015 VanDerWaalsContact O-N 3.11Å; I1012-F1016 HydrophobicContact CG2-CD2 3.67Å; I1012-F1016 HydrophobicContact CG2-CE2 3.74Å; I1012-F1016 WeakPolarHBondContact O-CD2 3.3Å; I1012-F1016 PolarHBondContact O-N 3.21Å; I1012-F1016 VanDerWaalsContact O-N 3.1Å; I1012-L1147 HydrophobicContact CD1-CB 4.33Å; I1012-L1147 HydrophobicContact CD1-CD1 3.71Å |
| 1013 | K | 46.7 | Very low | 44 | Very low | 140 Ų | 140 | 95.5 Ų | 95.5 | 61% | 0.609 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.6 | -36.6 | 172.7 | -89.3 | -170.8 | 171.8 | -168.7 | 0 | 112.3 | K1009 S1017 | K1009-K1013 WeakPolarHBondContact O-CB 3.19Å; K1009-K1013 PolarHBondContact O-N 2.94Å; K1013-S1017 WeakPolarHBondContact O-CB 3.34Å; K1013-S1017 PolarHBondContact O-N 2.96Å; K1013-S1017 VanDerWaalsContact O-N 3.11Å; K1013-S1017 PolarHBondContact O-OG 3.32Å |
| 1014 | H | 45.8 | Very low | 42.8 | Very low | 149 Ų | 149 | 98.4 Ų | 98.4 | 69% | 0.69 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.1 | -33.8 | 175.7 | -96.1 | -79.1 | 0 | 0 | 0 | 113.2 | S1010 E1011 I1012 G1018 | S1010-H1014 PolarHBondContact O-CD2 3.43Å; S1010-H1014 PolarHBondContact O-N 3.42Å; E1011-H1014 WeakPolarHBondContact O-CB 3.3Å; E1011-H1014 PolarHBondContact O-N 2.9Å; I1012-H1014 PolarHBondContact O-N 2.75Å; H1014-G1018 PolarHBondContact O-N 2.95Å |
| 1015 | I | 43.9 | Very low | 42.1 | Very low | 116 Ų | 116 | 105.3 Ų | 105.3 | 60% | 0.595 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.4 | -38.8 | 178.4 | -67.5 | 165.3 | 0 | 0 | 0 | 111.6 | E1011 I1012 | E1011-I1015 WeakPolarHBondContact O-CG1 3.33Å; E1011-I1015 PolarHBondContact O-N 2.96Å; E1011-I1015 VanDerWaalsContact O-N 3.11Å; I1012-I1015 PolarHBondContact O-N 3.38Å; I1012-I1015 VanDerWaalsContact O-N 3.11Å |
| 1016 | F | 38.7 | Very low | 40.9 | Very low | 105 Ų | 105 | 110.3 Ų | 110.3 | 46% | 0.461 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -86 | -15.2 | 179.7 | -74.2 | -76.8 | 0 | 0 | 0 | 114.6 | I1012 | I1012-F1016 HydrophobicContact CG2-CD2 3.67Å; I1012-F1016 HydrophobicContact CG2-CE2 3.74Å; I1012-F1016 WeakPolarHBondContact O-CD2 3.3Å; I1012-F1016 PolarHBondContact O-N 3.21Å; I1012-F1016 VanDerWaalsContact O-N 3.1Å |
| 1017 | S | 39.3 | Very low | 39.6 | Very low | 101 Ų | 101 | 108.8 Ų | 108.8 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -111.7 | 1.3 | -176.4 | -42.1 | 0 | 0 | 0 | 0 | 114.8 | K1013 | K1013-S1017 WeakPolarHBondContact O-CB 3.34Å; K1013-S1017 PolarHBondContact O-N 2.96Å; K1013-S1017 VanDerWaalsContact O-N 3.11Å; K1013-S1017 PolarHBondContact O-OG 3.32Å |
| 1018 | G | 31.9 | Very low | 38.2 | Very low | 59 Ų | 59 | 107.7 Ų | 107.7 | 61% | 0.608 | 64% | 0.637 | S | S | * | * | trans | -100.3 | 88.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115 | H1014 | H1014-G1018 PolarHBondContact O-N 2.95Š| ||
| 1019 | G | 32.6 | Very low | 37.5 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 74% | 0.742 | 67% | 0.67 | S | S | * | * | trans | -74.7 | 139.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1021 | G1019-S1021 PolarHBondContact O-N 3.44Š| ||
| 1020 | L | 35 | Very low | 36.2 | Very low | 170 Ų | 170 | 119 Ų | 119 | 89% | 0.89 | 69% | 0.691 | S | S | * | * | trans | -41.3 | 125.6 | -174.2 | -76.5 | 145.4 | 0 | 0 | 0 | 115.8 | ||||
| 1021 | S | 26.6 | Very low | 35 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | trans | -154.4 | 115.8 | 141.9 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | G1019 | G1019-S1021 PolarHBondContact O-N 3.44Š| ||
| 1022 | L | 35.1 | Very low | 33.7 | Very low | 163 Ų | 163 | 123.3 Ų | 123.3 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | -76.6 | 128.3 | 162.6 | -81.7 | 103.6 | 0 | 0 | 0 | 109.7 | ||||
| 1023 | S | 25.4 | Very low | 32.6 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -175.6 | 133.8 | 136.5 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1024 | S | 26 | Very low | 31.4 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 42.9 | 124.9 | 144.2 | 61.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1025 | N | 36.6 | Very low | 30.4 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -56.9 | 132.4 | 157.3 | -69.7 | -27.6 | 0 | 0 | 0 | 114.4 | ||||
| 1026 | V | 27.3 | Very low | 29.6 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | -151.6 | 141.8 | 143.2 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1027 | T | 28 | Very low | 29 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -66.2 | 148.1 | 179.1 | 36.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1028 | S | 24.5 | Very low | 28.3 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | 151.4 | 149.2 | 130.4 | -163 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1029 | P | 38.7 | Very low | 28 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | trans | -109.3 | 148.7 | -158.4 | 37.9 | -26.7 | 0 | 0 | 0 | 115.3 | ||||
| 1030 | R | 24.1 | Very low | 27.7 | Very low | 247 Ų | 247 | 139.5 Ų | 139.5 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | -159.5 | 104.5 | 155.9 | -133.7 | 172.9 | -177.4 | 175.8 | 0.1 | 114 | ||||
| 1031 | S | 27.8 | Very low | 27.5 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 83% | 0.83 | S | S | * | * | trans | 40.1 | 125.5 | 136.7 | -173.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1032 | T | 24.2 | Very low | 27.3 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | -162.5 | 128.9 | 105.1 | 25.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1033 | R | 25.5 | Very low | 26.7 | Very low | 233 Ų | 233 | 137 Ų | 137 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -75.1 | 139.1 | 179.1 | -71.1 | 172.1 | 173.1 | -176.5 | -4.1 | 111.1 | ||||
| 1034 | C | 23 | Very low | 26.8 | Very low | 133 Ų | 133 | 140 Ų | 140 | 90% | 0.899 | 84% | 0.838 | S | S | * | * | trans | -127.1 | 133.7 | 147.3 | -74.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1035 | S | 25.1 | Very low | 26.7 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | -90 | 136.6 | -162.2 | -41 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1036 | S | 26.1 | Very low | 26.3 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | trans | -117.7 | 147.6 | 164.5 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1037 | P | 25.5 | Very low | 26.5 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | trans | -73.4 | 142.1 | -173.5 | 30.3 | -33.2 | 0 | 0 | 0 | 111.9 | ||||
| 1038 | S | 25.3 | Very low | 26.3 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | trans | -74.1 | 135.1 | -176.7 | 42.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1039 | T | 25.9 | Very low | 26.6 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -107 | 152.5 | 156.7 | 10.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1040 | P | 26.3 | Very low | 26 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | trans | -82.5 | 139 | -159 | 33.7 | -34.3 | 0 | 0 | 0 | 113 | ||||
| 1041 | S | 31 | Very low | 26.4 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -86.3 | 137.7 | 170.3 | -61 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1042 | G | 21.9 | Very low | 26.5 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | 141.8 | 125.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1043 | M | 21.9 | Very low | 26.6 | Very low | 191 Ų | 191 | 127.2 Ų | 127.2 | 94% | 0.941 | 81% | 0.809 | S | S | * | * | cis | -146.5 | 156.2 | 36.2 | -73.4 | 179.3 | 59 | 0 | 0 | 113 | ||||
| 1044 | L | 28.8 | Very low | 26.8 | Very low | 169 Ų | 169 | 119.4 Ų | 119.4 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -59 | 145.4 | 178.2 | -65.6 | 147.4 | 0 | 0 | 0 | 113.7 | ||||
| 1045 | S | 23.3 | Very low | 27.1 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -145.7 | 150 | 154.1 | -76.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1046 | P | 28 | Very low | 27.1 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -89.4 | 145.9 | -133 | 32.4 | -33.8 | 0 | 0 | 0 | 114.1 | G1048 | P1046-G1048 PolarHBondContact O-N 3.49Š| ||
| 1047 | V | 31.1 | Very low | 27.2 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -69.3 | 116.8 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1048 | G | 24.1 | Very low | 27.4 | Very low | 76 Ų | 76 | 119.9 Ų | 119.9 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | -115.6 | 107.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P1046 | P1046-G1048 PolarHBondContact O-N 3.49Š| ||
| 1049 | H | 31.4 | Very low | 27.9 | Very low | 185 Ų | 185 | 119 Ų | 119 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | trans | -78.5 | 125.7 | 176.6 | -81.5 | -64.6 | 0 | 0 | 0 | 111.3 | ||||
| 1050 | G | 24.7 | Very low | 28.6 | Very low | 54 Ų | 54 | 120.2 Ų | 120.2 | 56% | 0.557 | 73% | 0.729 | S | S | * | * | trans | -154.2 | 131.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G1052 | G1050-G1052 VanDerWaalsContact C-N 3.35Å; G1050-G1052 PolarHBondContact O-N 3.34Å | ||
| 1051 | P | 34.1 | Very low | 29.8 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 97% | 0.974 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 85.7 | 178.9 | 32 | -28.9 | 0 | 0 | 0 | 108.8 | ||
| 1052 | G | 29.6 | Very low | 31.3 | Very low | 65 Ų | 65 | 119 Ų | 119 | 67% | 0.67 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.1 | -3.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1050 | G1050-G1052 VanDerWaalsContact C-N 3.35Å; G1050-G1052 PolarHBondContact O-N 3.34Å |
| 1053 | D | 26.8 | Very low | 33.7 | Very low | 112 Ų | 112 | 116.7 Ų | 116.7 | 60% | 0.599 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 16.1 | -164.2 | -137.3 | 9.7 | 0 | 0 | 0 | 114.9 | Q1055 | D1053-Q1055 VanDerWaalsContact C-N 3.31Å; D1053-Q1055 PolarHBondContact O-N 2.69Å |
| 1054 | G | 28.3 | Very low | 36.3 | Very low | 68 Ų | 68 | 110.8 Ų | 110.8 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -17.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1055 | Q | 29 | Very low | 38.9 | Very low | 145 Ų | 145 | 105.6 Ų | 105.6 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -31.3 | -172.5 | -155.9 | 159.1 | -2.9 | 0 | 0 | 112.7 | D1053 W1058 E1059 | D1053-Q1055 VanDerWaalsContact C-N 3.31Å; D1053-Q1055 PolarHBondContact O-N 2.69Å; Q1055-W1058 PolarHBondContact O-N 3.45Å; Q1055-E1059 PolarHBondContact O-N 3.29Å |
| 1056 | L | 26.5 | Very low | 41.7 | Very low | 112 Ų | 112 | 101.7 Ų | 101.7 | 59% | 0.586 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.6 | -34.9 | 176.7 | -73.1 | 163.9 | 0 | 0 | 0 | 112.4 | W1058 | L1056-W1058 VanDerWaalsContact C-N 3.3Å; L1056-W1058 PolarHBondContact O-N 3.25Å |
| 1057 | H | 27.7 | Very low | 44.3 | Very low | 106 Ų | 106 | 97.1 Ų | 97.1 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -77.5 | -13.1 | 175.9 | -168.1 | -93.5 | 0 | 0 | 0 | 113.6 | R1061 | H1057-R1061 VanDerWaalsContact CE1-CZ 3.45Å; H1057-R1061 PolarHBondContact CE1-NE 3.39Å; H1057-R1061 VanDerWaalsContact CE1-NE 3.33Å; H1057-R1061 PolarHBondContact CE1-NH2 3.43Å; H1057-R1061 PolarHBondContact NE2-NH2 3.2Å |
| 1058 | W | 30.1 | Very low | 46.7 | Very low | 139 Ų | 139 | 93.7 Ų | 93.7 | 53% | 0.527 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -85.6 | -38.2 | 175.3 | 176.4 | -111.7 | 0 | 0 | 0 | 112.1 | Q1055 L1056 E1060 R1061 F1198 | Q1055-W1058 PolarHBondContact O-N 3.45Å; L1056-W1058 VanDerWaalsContact C-N 3.3Å; L1056-W1058 PolarHBondContact O-N 3.25Å; W1058-E1060 VanDerWaalsContact C-N 3.3Å; W1058-E1060 PolarHBondContact O-N 3.42Å; W1058-R1061 PolarHBondContact O-N 3.5Å; W1058-F1198 HydrophobicContact CH2-CE2 4.33Å; W1058-F1198 HydrophobicContact CH2-CZ 4.45Å; W1058-F1198 HydrophobicContact CZ2-CE2 4.26Å; W1058-F1198 HydrophobicContact CZ2-CZ 4.48Å |
| 1059 | E | 35.4 | Very low | 49.7 | Very low | 102 Ų | 102 | 90.3 Ų | 90.3 | 48% | 0.477 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.9 | -28.3 | 178 | -73.9 | -176.2 | -179.4 | 0 | 0 | 113.1 | R720 Q1055 | R720-E1059 IonicContact NH2-OE2 2.93Å; Q1055-E1059 PolarHBondContact O-N 3.29Å |
| 1060 | E | 41.6 | Very low | 52.2 | Low | 157 Ų | 157 | 84.9 Ų | 84.9 | 73% | 0.734 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -15.3 | 177.5 | -75.6 | -178.4 | 166.6 | 0 | 0 | 114.4 | W1058 | W1058-E1060 VanDerWaalsContact C-N 3.3Å; W1058-E1060 PolarHBondContact O-N 3.42Å |
| 1061 | R | 51.2 | Low | 54.9 | Low | 137 Ų | 137 | 82.7 Ų | 82.7 | 52% | 0.517 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -4 | -177 | -66.3 | -172.3 | -177.8 | -147.2 | -2.4 | 114.9 | H1057 W1058 Q1064 | H1057-R1061 VanDerWaalsContact CE1-CZ 3.45Å; H1057-R1061 PolarHBondContact CE1-NE 3.39Å; H1057-R1061 VanDerWaalsContact CE1-NE 3.33Å; H1057-R1061 PolarHBondContact CE1-NH2 3.43Å; H1057-R1061 PolarHBondContact NE2-NH2 3.2Å; W1058-R1061 PolarHBondContact O-N 3.5Å; R1061-Q1064 WeakPolarHBondContact O-CG 3.49Å |
| 1062 | Q | 62.3 | Low | 57.4 | Low | 92 Ų | 92 | 76.5 Ų | 76.5 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 130.2 | -178.6 | -167.8 | 175.2 | 1.2 | 0 | 0 | 111.1 | ||
| 1063 | G | 72.3 | Confident | 60 | Low | 27 Ų | 27 | 73.4 Ų | 73.4 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -2.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1067 D1201 | G1063-R1067 WeakPolarHBondContact O-CB 3.36Å; G1063-R1067 PolarHBondContact O-N 3.4Å; G1063-D1201 WeakPolarHBondContact CA-OD1 3.48Å; G1063-D1201 WeakPolarHBondContact CA-OD2 3.47Å; G1063-D1201 VanDerWaalsContact N-CG 3.34Å; G1063-D1201 PolarHBondContact N-OD1 2.91Å; G1063-D1201 PolarHBondContact N-OD2 2.75Å |
| 1064 | Q | 76.9 | Confident | 62.5 | Low | 67 Ų | 67 | 68.1 Ų | 68.1 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | -177.8 | -74.3 | -176.7 | -6.5 | 0 | 0 | 112.8 | R1061 R1068 D1201 | R1061-Q1064 WeakPolarHBondContact O-CG 3.49Å; Q1064-R1068 WeakPolarHBondContact O-CB 3.43Å; Q1064-R1068 PolarHBondContact O-N 3.12Å; Q1064-D1201 PolarHBondContact N-OD1 3.09Å |
| 1065 | W | 83.3 | Confident | 65 | Low | 60 Ų | 60 | 65 Ų | 65 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.4 | -36.5 | -178.6 | -70.3 | 107.4 | 0 | 0 | 0 | 111.5 | R1068 R1069 D1201 A1203 P1204 | W1065-R1068 WeakPolarHBondContact O-CB 3.21Å; W1065-R1068 PolarHBondContact O-N 2.97Å; W1065-R1069 WeakPolarHBondContact O-CG 3.28Å; W1065-R1069 PolarHBondContact O-N 3.47Å; W1065-D1201 WeakPolarHBondContact CB-O 3.46Å; W1065-D1201 PolarHBondContact N-OD1 2.97Å; W1065-A1203 HydrophobicContact CD2-CB 4.38Å; W1065-A1203 HydrophobicContact CZ2-CB 3.88Å; W1065-P1204 HydrophobicContact CE3-CG 4.17Å; W1065-P1204 HydrophobicContact CH2-CG 4.27Å; W1065-P1204 HydrophobicContact CZ3-CG 3.81Å |
| 1066 | L | 82.3 | Confident | 67.5 | Low | 34 Ų | 34 | 58.5 Ų | 58.5 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 171.5 | 172.8 | 63 | 0 | 0 | 0 | 110.6 | R1068 R1069 R1070 E1133 Y1200 D1201 | L1066-R1068 VanDerWaalsContact C-N 3.31Å; L1066-R1068 PolarHBondContact O-N 2.89Å; L1066-R1069 PolarHBondContact O-N 3.26Å; L1066-R1070 HydrophobicContact CD1-CG 4.38Å; L1066-R1070 WeakPolarHBondContact O-CG 3.45Å; L1066-R1070 PolarHBondContact O-N 3.12Å; L1066-E1133 HydrophobicContact CD1-CB 4Å; L1066-E1133 HydrophobicContact CD1-CG 4.09Å; L1066-Y1200 WeakPolarHBondContact CA-O 3.2Å; L1066-Y1200 HydrophobicContact CD1-CG 4.34Å; L1066-Y1200 PolarHBondContact N-O 2.92Å; L1066-D1201 HydrophobicContact CB-CB 4.12Å; L1066-D1201 PolarHBondContact N-OD1 3.17Å |
| 1067 | R | 82.3 | Confident | 70.4 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.8 | -46.8 | 174.3 | -179.2 | -179 | -178.6 | -94.3 | -0.7 | 111.2 | E932 G1063 R1070 L1071 | E932-R1067 IonicContact OE1-NE 2.86Å; E932-R1067 PolarHBondContact OE1-NE 3.23Å; E932-R1067 IonicContact OE2-CZ 3.34Å; E932-R1067 VanDerWaalsContact OE2-CZ 3.27Å; E932-R1067 IonicContact OE2-NE 3.89Å; E932-R1067 PolarHBondContact OE2-NE 3.1Å; E932-R1067 IonicContact OE2-NH2 2.78Å; E932-R1067 PolarHBondContact OE2-NH2 3.4Å; G1063-R1067 WeakPolarHBondContact O-CB 3.36Å; G1063-R1067 PolarHBondContact O-N 3.4Å; R1067-R1070 WeakPolarHBondContact O-CB 3.42Å; R1067-R1070 PolarHBondContact O-N 3.36Å; R1067-L1071 HydrophobicContact CG-CD1 4.34Å; R1067-L1071 WeakPolarHBondContact O-CG 3.4Å; R1067-L1071 PolarHBondContact O-N 3.47Å |
| 1068 | R | 81.8 | Confident | 73.3 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 19% | 0.185 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 179.1 | -173.3 | 175.8 | -143.9 | 133.2 | 21.7 | 112.6 | R1002 Q1064 W1065 L1066 R1070 L1071 D1072 | R1002-R1068 VanDerWaalsContact CZ-NH2 3.27Å; Q1064-R1068 WeakPolarHBondContact O-CB 3.43Å; Q1064-R1068 PolarHBondContact O-N 3.12Å; W1065-R1068 WeakPolarHBondContact O-CB 3.21Å; W1065-R1068 PolarHBondContact O-N 2.97Å; L1066-R1068 VanDerWaalsContact C-N 3.31Å; L1066-R1068 PolarHBondContact O-N 2.89Å; R1068-R1070 VanDerWaalsContact C-N 3.29Å; R1068-R1070 PolarHBondContact O-N 3.33Å; R1068-L1071 PolarHBondContact O-N 2.89Å; R1068-D1072 PolarHBondContact O-N 3.45Å |
| 1069 | R | 87.1 | Confident | 75.9 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.4 | -36.4 | 177.8 | -72 | -173.6 | 175.3 | 114 | 1.1 | 111.9 | W1065 L1066 G1073 E1133 Q1136 E1140 F1199 Y1200 S1202 T1210 | W1065-R1069 WeakPolarHBondContact O-CG 3.28Å; W1065-R1069 PolarHBondContact O-N 3.47Å; L1066-R1069 PolarHBondContact O-N 3.26Å; R1069-G1073 WeakPolarHBondContact O-CA 3.38Å; R1069-G1073 PolarHBondContact O-N 3.12Å; R1069-E1133 HydrophobicContact CB-CB 4.17Å; R1069-Q1136 HydrophobicContact CB-CB 4.12Å; R1069-Q1136 HydrophobicContact CB-CG 4.25Å; R1069-Q1136 HydrophobicContact CG-CB 4.3Å; R1069-Q1136 HydrophobicContact CG-CG 4.03Å; R1069-E1140 IonicContact CZ-OE1 2.69Å; R1069-E1140 IonicContact NE-OE1 3.12Å; R1069-E1140 PolarHBondContact NE-OE1 2.95Å; R1069-E1140 IonicContact NH2-OE1 3.49Å; R1069-E1140 PolarHBondContact NH2-OE1 3.12Å; R1069-E1140 IonicContact NH2-OE2 2.78Å; R1069-E1140 PolarHBondContact NH2-OE2 3.08Å; R1069-F1199 PolarHBondContact NH1-O 3.11Å; R1069-Y1200 VanDerWaalsContact NH1-C 3.26Å; R1069-Y1200 PolarHBondContact NH1-O 2.84Å; R1069-S1202 PolarHBondContact NH1-O 2.8Å; R1069-S1202 PolarHBondContact NH2-O 2.95Å; R1069-T1210 PolarHBondContact NH2-OG1 3.38Å |
| 1070 | R | 82.6 | Confident | 78.1 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 27% | 0.268 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 172 | -75.7 | -179.3 | 172.1 | 168.8 | 2.1 | 112.3 | L1066 R1067 R1068 A1074 P1132 E1133 | L1066-R1070 HydrophobicContact CD1-CG 4.38Å; L1066-R1070 WeakPolarHBondContact O-CG 3.45Å; L1066-R1070 PolarHBondContact O-N 3.12Å; R1067-R1070 WeakPolarHBondContact O-CB 3.42Å; R1067-R1070 PolarHBondContact O-N 3.36Å; R1068-R1070 VanDerWaalsContact C-N 3.29Å; R1068-R1070 PolarHBondContact O-N 3.33Å; R1070-A1074 WeakPolarHBondContact O-CB 3.19Å; R1070-A1074 PolarHBondContact O-N 3.12Å; R1070-P1132 HydrophobicContact CG-CG 4.4Å; R1070-P1132 WeakPolarHBondContact O-CB 3.38Å; R1070-E1133 HydrophobicContact CG-CB 4.05Å; R1070-E1133 HydrophobicContact CG-CG 4.49Å; R1070-E1133 WeakPolarHBondContact CG-OE2 3.3Å; R1070-E1133 IonicContact CZ-OE1 3.32Å; R1070-E1133 VanDerWaalsContact CZ-OE1 3.27Å; R1070-E1133 IonicContact NE-OE1 3.85Å; R1070-E1133 PolarHBondContact NE-OE1 2.8Å; R1070-E1133 IonicContact NE-OE2 3.6Å; R1070-E1133 IonicContact NH2-OE1 3.66Å; R1070-E1133 PolarHBondContact NH2-OE1 3.06Å |
| 1071 | L | 82.4 | Confident | 80.2 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -58.1 | 177.5 | -71.4 | 176.4 | 0 | 0 | 0 | 111.2 | V928 I963 R1067 R1068 G1073 A1074 I1075 | V928-L1071 HydrophobicContact CG1-CD2 3.38Å; I963-L1071 HydrophobicContact CD1-CD2 4.23Å; I963-L1071 HydrophobicContact CG2-CD2 4.09Å; R1067-L1071 HydrophobicContact CG-CD1 4.34Å; R1067-L1071 WeakPolarHBondContact O-CG 3.4Å; R1067-L1071 PolarHBondContact O-N 3.47Å; R1068-L1071 PolarHBondContact O-N 2.89Å; L1071-G1073 VanDerWaalsContact C-N 3.32Å; L1071-G1073 PolarHBondContact O-N 3.29Å; L1071-A1074 PolarHBondContact O-N 3.42Å; L1071-I1075 VanDerWaalsContact O-CG1 3.28Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.33Å; L1071-I1075 PolarHBondContact O-N 3.27Å; L1071-I1075 VanDerWaalsContact O-N 3.07Å |
| 1072 | D | 85.2 | Confident | 82.1 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 11% | 0.107 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | -176.5 | -72 | -28.5 | 0 | 0 | 0 | 111.1 | R1068 N1076 R1077 | R1068-D1072 PolarHBondContact O-N 3.45Å; D1072-N1076 WeakPolarHBondContact O-CA 3.38Å; D1072-N1076 PolarHBondContact O-N 3.33Å; D1072-R1077 HydrophobicContact CB-CB 4.24Å; D1072-R1077 PolarHBondContact O-N 2.8Å; D1072-R1077 IonicContact OD1-NH1 3.03Å |
| 1073 | G | 84.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.5 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1069 L1071 N1076 P1132 R1135 | R1069-G1073 WeakPolarHBondContact O-CA 3.38Å; R1069-G1073 PolarHBondContact O-N 3.12Å; L1071-G1073 VanDerWaalsContact C-N 3.32Å; L1071-G1073 PolarHBondContact O-N 3.29Å; G1073-N1076 PolarHBondContact O-N 3.32Å; G1073-N1076 PolarHBondContact O-OD1 3.27Å; G1073-N1076 VanDerWaalsContact O-OD1 3.13Å; G1073-P1132 WeakPolarHBondContact CA-O 3.47Å; G1073-R1135 PolarHBondContact O-NH1 3.37Å |
| 1074 | A | 78.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.1 | -34.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L924 V928 R1070 L1071 P1132 | L924-A1074 VanDerWaalsContact CD1-O 3.31Å; L924-A1074 WeakPolarHBondContact CD1-O 3.28Å; V928-A1074 HydrophobicContact CG2-CB 3.46Å; V928-A1074 VanDerWaalsContact CG2-CB 3.46Å; R1070-A1074 WeakPolarHBondContact O-CB 3.19Å; R1070-A1074 PolarHBondContact O-N 3.12Å; L1071-A1074 PolarHBondContact O-N 3.42Å; A1074-P1132 HydrophobicContact CB-CB 3.96Å; A1074-P1132 HydrophobicContact CB-CG 4.47Å; A1074-P1132 VanDerWaalsContact N-CB 3.3Å |
| 1075 | I | 80.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 6.8 | 177.2 | 75.1 | -168 | 0 | 0 | 0 | 113.4 | M917 I925 L1071 R1077 | M917-I1075 HydrophobicContact CE-CB 3.66Å; M917-I1075 HydrophobicContact CE-CD1 3.99Å; M917-I1075 HydrophobicContact CE-CG1 3.87Å; M917-I1075 HydrophobicContact CE-CG2 4.47Å; M917-I1075 HydrophobicContact CG-CG1 4.49Å; M917-I1075 HydrophobicContact SD-CD1 3.97Å; M917-I1075 HydrophobicContact SD-CG1 4.18Å; I925-I1075 HydrophobicContact CG1-CG2 4.19Å; L1071-I1075 VanDerWaalsContact O-CG1 3.28Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.33Å; L1071-I1075 PolarHBondContact O-N 3.27Å; L1071-I1075 VanDerWaalsContact O-N 3.07Å; I1075-R1077 VanDerWaalsContact C-N 3.32Å; I1075-R1077 HydrophobicContact CD1-CB 4.27Å; I1075-R1077 HydrophobicContact CG1-CB 3.93Å; I1075-R1077 PolarHBondContact O-N 3.43Å |
| 1076 | N | 82.6 | Confident | 85.6 | Confident | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 44.6 | -178.4 | -67.7 | -24 | 0 | 0 | 0 | 114.2 | D1072 G1073 V1078 N1127 R1135 | D1072-N1076 WeakPolarHBondContact O-CA 3.38Å; D1072-N1076 PolarHBondContact O-N 3.33Å; G1073-N1076 PolarHBondContact O-N 3.32Å; G1073-N1076 PolarHBondContact O-OD1 3.27Å; G1073-N1076 VanDerWaalsContact O-OD1 3.13Å; N1076-V1078 PolarHBondContact O-N 2.87Å; N1076-N1127 PolarHBondContact ND2-OD1 3.37Å; N1076-R1135 VanDerWaalsContact OD1-CD 3.3Å; N1076-R1135 WeakPolarHBondContact OD1-CD 3.28Å; N1076-R1135 PolarHBondContact OD1-NH1 2.67Å |
| 1077 | R | 86.8 | Confident | 86.1 | Confident | 25 Ų | 25 | 29.1 Ų | 29.1 | 9% | 0.094 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -82.5 | 111.8 | 177.7 | -171.9 | 177.9 | -76.4 | 162.4 | -7.8 | 110.7 | L913 D916 M917 L964 D1072 I1075 | L913-R1077 PolarHBondContact O-NH2 3.46Å; D916-R1077 HydrophobicContact CB-CG 3.65Å; D916-R1077 CarbonylContact O-C 3.12Å; D916-R1077 VanDerWaalsContact O-CA 3.3Å; D916-R1077 WeakPolarHBondContact O-CA 3.3Å; M917-R1077 HydrophobicContact CG-CB 3.89Å; M917-R1077 HydrophobicContact CG-CG 4.03Å; M917-R1077 PolarHBondContact SD-NH2 3.22Å; M917-R1077 VanDerWaalsContact SD-NH2 3.41Å; L964-R1077 PolarHBondContact O-NH1 2.67Å; L964-R1077 PolarHBondContact O-NH2 3.14Å; D1072-R1077 HydrophobicContact CB-CB 4.24Å; D1072-R1077 PolarHBondContact O-N 2.8Å; D1072-R1077 IonicContact OD1-NH1 3.03Å; I1075-R1077 VanDerWaalsContact C-N 3.32Å; I1075-R1077 HydrophobicContact CD1-CB 4.27Å; I1075-R1077 HydrophobicContact CG1-CB 3.93Å; I1075-R1077 PolarHBondContact O-N 3.43Å |
| 1078 | V | 88.1 | Confident | 86.5 | Confident | 8 Ų | 8 | 31.7 Ų | 31.7 | 5% | 0.048 | 15% | 0.152 | C | C | . | . | trans | -111.8 | 146 | -177.7 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | D916 N1076 F1082 Y1083 V1139 | D916-V1078 WeakPolarHBondContact CB-O 3.24Å; D916-V1078 PolarHBondContact O-N 3.47Å; N1076-V1078 PolarHBondContact O-N 2.87Å; V1078-F1082 HydrophobicContact CB-CB 4.08Å; V1078-F1082 HydrophobicContact CB-CD1 3.97Å; V1078-F1082 HydrophobicContact CB-CG 3.94Å; V1078-F1082 HydrophobicContact CG1-CD1 4.18Å; V1078-F1082 HydrophobicContact CG1-CE1 4.32Å; V1078-F1082 HydrophobicContact CG1-CG 4.5Å; V1078-F1082 HydrophobicContact CG2-CB 3.96Å; V1078-F1082 HydrophobicContact CG2-CD1 3.87Å; V1078-F1082 HydrophobicContact CG2-CG 4.09Å; V1078-Y1083 HydrophobicContact CG2-CE2 3.67Å; V1078-Y1083 VanDerWaalsContact CG2-OH 3.3Å; V1078-Y1083 WeakPolarHBondContact CG2-OH 3.48Å; V1078-V1139 HydrophobicContact CB-CG1 4.23Å; V1078-V1139 HydrophobicContact CG1-CG1 4.05Å; V1078-V1139 HydrophobicContact CG1-CG2 4.01Å | ||
| 1079 | P | 85.4 | Confident | 87 | Confident | 30 Ų | 30 | 29.4 Ų | 29.4 | 20% | 0.195 | 14% | 0.143 | C | C | . | . | trans | -58.8 | 148.3 | -178.2 | -25.7 | 35.9 | 0 | 0 | 0 | 114.4 | G1081 F1082 V1139 M1143 | P1079-G1081 PolarHBondContact O-N 3.48Å; P1079-F1082 WeakPolarHBondContact O-CB 3.46Å; P1079-F1082 PolarHBondContact O-N 3.31Å; P1079-V1139 HydrophobicContact CG-CG1 4.48Å; P1079-M1143 HydrophobicContact CB-CE 3.91Å; P1079-M1143 HydrophobicContact CB-CG 4.49Å; P1079-M1143 HydrophobicContact CB-SD 4.27Å; P1079-M1143 HydrophobicContact CG-CE 4.47Å; P1079-M1143 HydrophobicContact CG-CG 4.1Å; P1079-M1143 HydrophobicContact CG-SD 4.48Å | ||
| 1080 | M | 82.7 | Confident | 87.3 | Confident | 136 Ų | 136 | 29.1 Ų | 29.1 | 67% | 0.67 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 131.9 | 172 | -73.7 | -69.8 | 179.1 | 0 | 0 | 112.3 | D916 F1082 | D916-M1080 WeakPolarHBondContact OD1-CE 3.38Å; D916-M1080 VanDerWaalsContact OD1-CG 3.23Å; D916-M1080 WeakPolarHBondContact OD1-CG 3.47Å; M1080-F1082 VanDerWaalsContact C-N 3.32Å |
| 1081 | G | 85.2 | Confident | 87.6 | Confident | 32 Ų | 32 | 30.5 Ų | 30.5 | 33% | 0.33 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 0.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | P1079 Y1083 Q1084 K1085 | P1079-G1081 PolarHBondContact O-N 3.48Å; G1081-Y1083 PolarHBondContact O-N 3.21Å; G1081-Q1084 VanDerWaalsContact C-OE1 3.31Å; G1081-Q1084 PolarHBondContact O-N 3.29Å; G1081-Q1084 PolarHBondContact O-OE1 3.45Å; G1081-K1085 WeakPolarHBondContact O-CG 3.3Å; G1081-K1085 PolarHBondContact O-N 2.95Å |
| 1082 | F | 91.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.6 | -52.4 | -176.8 | 173.8 | -99.5 | 0 | 0 | 0 | 112.5 | V1078 P1079 M1080 Q1084 K1085 V1086 V1122 L1126 V1139 V1142 M1143 | V1078-F1082 HydrophobicContact CB-CB 4.08Å; V1078-F1082 HydrophobicContact CB-CD1 3.97Å; V1078-F1082 HydrophobicContact CB-CG 3.94Å; V1078-F1082 HydrophobicContact CG1-CD1 4.18Å; V1078-F1082 HydrophobicContact CG1-CE1 4.32Å; V1078-F1082 HydrophobicContact CG1-CG 4.5Å; V1078-F1082 HydrophobicContact CG2-CB 3.96Å; V1078-F1082 HydrophobicContact CG2-CD1 3.87Å; V1078-F1082 HydrophobicContact CG2-CG 4.09Å; P1079-F1082 WeakPolarHBondContact O-CB 3.46Å; P1079-F1082 PolarHBondContact O-N 3.31Å; M1080-F1082 VanDerWaalsContact C-N 3.32Å; F1082-Q1084 PolarHBondContact O-N 3.13Å; F1082-K1085 WeakPolarHBondContact O-CB 3.29Å; F1082-K1085 PolarHBondContact O-N 2.96Å; F1082-K1085 VanDerWaalsContact O-N 3.13Å; F1082-V1086 HydrophobicContact CD1-CG2 4.37Å; F1082-V1086 HydrophobicContact CE1-CG2 3.95Å; F1082-V1086 HydrophobicContact CE2-CG2 4.23Å; F1082-V1086 HydrophobicContact CZ-CG2 3.86Å; F1082-V1086 WeakPolarHBondContact O-CG2 3.47Å; F1082-V1086 PolarHBondContact O-N 2.99Å; F1082-V1122 HydrophobicContact CE1-CG1 3.72Å; F1082-V1122 HydrophobicContact CZ-CG1 4.35Å; F1082-L1126 HydrophobicContact CE1-CD1 3.79Å; F1082-L1126 HydrophobicContact CZ-CD1 3.85Å; F1082-V1139 HydrophobicContact CD2-CG1 4.04Å; F1082-V1139 HydrophobicContact CE2-CB 4.37Å; F1082-V1139 HydrophobicContact CE2-CG1 3.87Å; F1082-V1139 HydrophobicContact CE2-CG2 4.45Å; F1082-V1139 HydrophobicContact CZ-CG2 4.42Å; F1082-V1142 HydrophobicContact CD2-CG1 4.4Å; F1082-V1142 HydrophobicContact CE2-CB 3.88Å; F1082-V1142 HydrophobicContact CE2-CG1 3.57Å; F1082-V1142 HydrophobicContact CZ-CB 4.44Å; F1082-V1142 HydrophobicContact CZ-CG1 4.01Å; F1082-M1143 HydrophobicContact CB-SD 4.02Å; F1082-M1143 HydrophobicContact CD2-CG 3.95Å; F1082-M1143 HydrophobicContact CD2-SD 3.68Å; F1082-M1143 HydrophobicContact CG-SD 4.35Å |
| 1083 | Y | 91.6 | Very high | 88.1 | Confident | 24 Ų | 24 | 31.3 Ų | 31.3 | 9% | 0.094 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | -178 | -52.2 | -75.7 | 0 | 0 | 0 | 112 | L918 V1078 G1081 K1085 V1086 W1087 F1118 A1119 V1122 E1123 | L918-Y1083 HydrophobicContact CD1-CD2 4.22Å; L918-Y1083 HydrophobicContact CD1-CE1 3.95Å; L918-Y1083 HydrophobicContact CD1-CE2 3.43Å; L918-Y1083 VanDerWaalsContact CD1-CE2 3.43Å; L918-Y1083 WeakPolarHBondContact CD1-OH 3.47Å; L918-Y1083 HydrophobicContact CG-CE2 3.93Å; L918-Y1083 WeakPolarHBondContact CG-OH 3.42Å; V1078-Y1083 HydrophobicContact CG2-CE2 3.67Å; V1078-Y1083 VanDerWaalsContact CG2-OH 3.3Å; V1078-Y1083 WeakPolarHBondContact CG2-OH 3.48Å; G1081-Y1083 PolarHBondContact O-N 3.21Å; Y1083-K1085 PolarHBondContact O-N 2.93Å; Y1083-V1086 PolarHBondContact O-N 2.71Å; Y1083-V1086 VanDerWaalsContact O-N 3.12Å; Y1083-W1087 PolarHBondContact O-N 3.45Å; Y1083-F1118 WeakPolarHBondContact O-CE1 3.35Å; Y1083-A1119 HydrophobicContact CD1-CB 3.56Å; Y1083-A1119 HydrophobicContact CD2-CB 3.88Å; Y1083-A1119 HydrophobicContact CE1-CB 3.9Å; Y1083-A1119 WeakPolarHBondContact CE1-O 3.48Å; Y1083-A1119 HydrophobicContact CE2-CB 4.22Å; Y1083-A1119 HydrophobicContact CG-CB 3.54Å; Y1083-V1122 HydrophobicContact CD1-CB 3.92Å; Y1083-V1122 HydrophobicContact CD1-CG1 4.13Å; Y1083-V1122 HydrophobicContact CD1-CG2 4.28Å; Y1083-V1122 HydrophobicContact CE1-CB 4.23Å; Y1083-V1122 HydrophobicContact CE1-CG1 4.36Å; Y1083-E1123 HydrophobicContact CE1-CG 3.81Å; Y1083-E1123 WeakPolarHBondContact OH-CG 3.4Å; Y1083-E1123 PolarHBondContact OH-OE1 2.98Å |
| 1084 | Q | 90.9 | Very high | 88.3 | Confident | 90 Ų | 90 | 37.3 Ų | 37.3 | 42% | 0.421 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.8 | -35.7 | 175.1 | -64.4 | 83.9 | 0.1 | 0 | 0 | 111.8 | G1081 F1082 W1087 K1088 A1113 | G1081-Q1084 VanDerWaalsContact C-OE1 3.31Å; G1081-Q1084 PolarHBondContact O-N 3.29Å; G1081-Q1084 PolarHBondContact O-OE1 3.45Å; F1082-Q1084 PolarHBondContact O-N 3.13Å; Q1084-W1087 PolarHBondContact O-N 2.97Å; Q1084-K1088 WeakPolarHBondContact O-CG 3.2Å; Q1084-K1088 PolarHBondContact O-N 3.26Å; Q1084-A1113 HydrophobicContact CG-CB 4.41Å |
| 1085 | K | 91.2 | Very high | 89 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 14% | 0.139 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 173.6 | -77.1 | -179.5 | 168.3 | -68.4 | 0 | 112.2 | G1081 F1082 Y1083 W1087 K1088 I1089 M1143 G1146 D1150 | G1081-K1085 WeakPolarHBondContact O-CG 3.3Å; G1081-K1085 PolarHBondContact O-N 2.95Å; F1082-K1085 WeakPolarHBondContact O-CB 3.29Å; F1082-K1085 PolarHBondContact O-N 2.96Å; F1082-K1085 VanDerWaalsContact O-N 3.13Å; Y1083-K1085 PolarHBondContact O-N 2.93Å; K1085-W1087 VanDerWaalsContact C-N 3.3Å; K1085-W1087 PolarHBondContact O-N 3.45Å; K1085-K1088 PolarHBondContact O-N 2.86Å; K1085-I1089 VanDerWaalsContact O-CG1 3.28Å; K1085-I1089 WeakPolarHBondContact O-CG1 3.48Å; K1085-I1089 PolarHBondContact O-N 3.21Å; K1085-M1143 HydrophobicContact CD-CE 3.82Å; K1085-M1143 HydrophobicContact CD-SD 3.89Å; K1085-G1146 PolarHBondContact NZ-O 2.92Å; K1085-D1150 IonicContact NZ-OD2 2.77Å; K1085-D1150 PolarHBondContact NZ-OD2 2.74Å |
| 1086 | V | 93.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 173.7 | 177 | 0 | 0 | 0 | 0 | 110.8 | F1082 Y1083 K1088 I1089 L1090 L1096 L1103 F1118 V1122 V1142 | F1082-V1086 HydrophobicContact CD1-CG2 4.37Å; F1082-V1086 HydrophobicContact CE1-CG2 3.95Å; F1082-V1086 HydrophobicContact CE2-CG2 4.23Å; F1082-V1086 HydrophobicContact CZ-CG2 3.86Å; F1082-V1086 WeakPolarHBondContact O-CG2 3.47Å; F1082-V1086 PolarHBondContact O-N 2.99Å; Y1083-V1086 PolarHBondContact O-N 2.71Å; Y1083-V1086 VanDerWaalsContact O-N 3.12Å; V1086-K1088 PolarHBondContact O-N 3.28Å; V1086-I1089 WeakPolarHBondContact O-CB 3.28Å; V1086-I1089 PolarHBondContact O-N 3.05Å; V1086-L1090 HydrophobicContact CG1-CD1 4.21Å; V1086-L1090 HydrophobicContact CG1-CG 4.42Å; V1086-L1090 WeakPolarHBondContact O-CG 3.37Å; V1086-L1090 PolarHBondContact O-N 3.21Å; V1086-L1096 HydrophobicContact CG1-CD2 4.21Å; V1086-L1103 HydrophobicContact CG1-CD2 3.87Å; V1086-F1118 HydrophobicContact CB-CZ 4.49Å; V1086-F1118 HydrophobicContact CG1-CZ 4.15Å; V1086-V1122 HydrophobicContact CB-CG1 4.44Å; V1086-V1122 HydrophobicContact CB-CG2 4.3Å; V1086-V1122 HydrophobicContact CG1-CG1 4.12Å; V1086-V1122 HydrophobicContact CG1-CG2 3.78Å; V1086-V1122 HydrophobicContact CG2-CG1 4.1Å; V1086-V1142 HydrophobicContact CG2-CG1 3.6Å |
| 1087 | W | 93.6 | Very high | 90.1 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 176.5 | -171.1 | 92.4 | 0 | 0 | 0 | 111.9 | Y1083 Q1084 K1085 I1089 L1090 Q1091 T1108 M1111 A1113 F1118 | Y1083-W1087 PolarHBondContact O-N 3.45Å; Q1084-W1087 PolarHBondContact O-N 2.97Å; K1085-W1087 VanDerWaalsContact C-N 3.3Å; K1085-W1087 PolarHBondContact O-N 3.45Å; W1087-I1089 VanDerWaalsContact C-N 3.32Å; W1087-I1089 PolarHBondContact O-N 3.42Å; W1087-L1090 PolarHBondContact O-N 3.32Å; W1087-Q1091 HydrophobicContact CD2-CG 4.31Å; W1087-Q1091 HydrophobicContact CE3-CG 4.05Å; W1087-Q1091 HydrophobicContact CH2-CG 4.2Å; W1087-Q1091 HydrophobicContact CZ2-CG 4.4Å; W1087-Q1091 HydrophobicContact CZ3-CG 4.02Å; W1087-Q1091 VanDerWaalsContact CZ3-NE2 3.33Å; W1087-Q1091 WeakPolarHBondContact O-CG 3.37Å; W1087-Q1091 PolarHBondContact O-N 2.62Å; W1087-Q1091 VanDerWaalsContact O-N 3.09Å; W1087-T1108 HydrophobicContact CG-CG2 4.39Å; W1087-M1111 PolarHBondContact NE1-O 2.93Å; W1087-A1113 HydrophobicContact CB-CB 3.98Å; W1087-A1113 HydrophobicContact CD2-CB 3.61Å; W1087-A1113 HydrophobicContact CE3-CB 3.84Å; W1087-A1113 HydrophobicContact CG-CB 3.67Å; W1087-A1113 HydrophobicContact CZ3-CB 4.43Å; W1087-F1118 HydrophobicContact CB-CD1 4.42Å; W1087-F1118 HydrophobicContact CB-CE1 3.65Å; W1087-F1118 HydrophobicContact CB-CE2 4.43Å; W1087-F1118 HydrophobicContact CB-CZ 3.65Å; W1087-F1118 AromaticContact CD1-CE2 3.83Å; W1087-F1118 AromaticContact CD1-CZ 3.91Å; W1087-F1118 HydrophobicContact CG-CE1 4.37Å; W1087-F1118 HydrophobicContact CG-CZ 4.19Å |
| 1088 | K | 91.3 | Very high | 90.4 | Very high | 85 Ų | 85 | 36.1 Ų | 36.1 | 37% | 0.37 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.1 | -38.4 | 175.2 | -74.7 | 176.5 | 168.9 | -172.8 | 0 | 113.3 | Q1084 K1085 V1086 Q1091 A1149 D1150 | Q1084-K1088 WeakPolarHBondContact O-CG 3.2Å; Q1084-K1088 PolarHBondContact O-N 3.26Å; K1085-K1088 PolarHBondContact O-N 2.86Å; V1086-K1088 PolarHBondContact O-N 3.28Å; K1088-Q1091 PolarHBondContact O-N 3.45Å; K1088-A1149 HydrophobicContact CB-CB 4.44Å; K1088-D1150 IonicContact NZ-OD1 2.85Å; K1088-D1150 PolarHBondContact NZ-OD1 3.25Å |
| 1089 | I | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 175.3 | -68 | 159.7 | 0 | 0 | 0 | 109.7 | K1085 V1086 W1087 Q1091 K1092 C1093 L1096 V1142 L1145 A1149 I1160 | K1085-I1089 VanDerWaalsContact O-CG1 3.28Å; K1085-I1089 WeakPolarHBondContact O-CG1 3.48Å; K1085-I1089 PolarHBondContact O-N 3.21Å; V1086-I1089 WeakPolarHBondContact O-CB 3.28Å; V1086-I1089 PolarHBondContact O-N 3.05Å; W1087-I1089 VanDerWaalsContact C-N 3.32Å; W1087-I1089 PolarHBondContact O-N 3.42Å; I1089-Q1091 PolarHBondContact O-N 2.87Å; I1089-K1092 PolarHBondContact O-N 2.89Å; I1089-C1093 PolarHBondContact O-N 2.92Å; I1089-C1093 PolarHBondContact O-SG 2.74Å; I1089-C1093 VanDerWaalsContact O-SG 3.39Å; I1089-L1096 HydrophobicContact CG2-CD1 4.35Å; I1089-V1142 HydrophobicContact CD1-CG1 4.11Å; I1089-L1145 HydrophobicContact CD1-CB 4.22Å; I1089-L1145 HydrophobicContact CD1-CD2 4.06Å; I1089-L1145 HydrophobicContact CD1-CG 4.01Å; I1089-L1145 HydrophobicContact CG1-CD2 4.49Å; I1089-L1145 HydrophobicContact CG1-CG 4.29Å; I1089-L1145 HydrophobicContact CG2-CD2 3.99Å; I1089-L1145 HydrophobicContact CG2-CG 4.47Å; I1089-A1149 HydrophobicContact CG1-CB 3.77Å; I1089-I1160 HydrophobicContact CG2-CD1 4.22Å |
| 1090 | L | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -25.7 | -178.9 | -69.4 | 174.5 | 0 | 0 | 0 | 113.8 | V1086 W1087 K1092 L1096 L1103 S1105 T1108 F1118 | V1086-L1090 HydrophobicContact CG1-CD1 4.21Å; V1086-L1090 HydrophobicContact CG1-CG 4.42Å; V1086-L1090 WeakPolarHBondContact O-CG 3.37Å; V1086-L1090 PolarHBondContact O-N 3.21Å; W1087-L1090 PolarHBondContact O-N 3.32Å; L1090-K1092 PolarHBondContact O-N 3.27Å; L1090-L1096 HydrophobicContact CD2-CB 3.93Å; L1090-L1103 HydrophobicContact CD1-CD2 3.65Å; L1090-L1103 HydrophobicContact CD1-CG 3.79Å; L1090-L1103 HydrophobicContact CD2-CB 4.47Å; L1090-L1103 HydrophobicContact CD2-CD2 4.45Å; L1090-L1103 HydrophobicContact CD2-CG 4.24Å; L1090-L1103 VanDerWaalsContact CD2-O 3.25Å; L1090-L1103 WeakPolarHBondContact CD2-O 3.45Å; L1090-L1103 HydrophobicContact CG-CD2 4.48Å; L1090-S1105 VanDerWaalsContact O-CB 3.3Å; L1090-S1105 WeakPolarHBondContact O-CB 3.25Å; L1090-T1108 HydrophobicContact CB-CG2 3.6Å; L1090-T1108 HydrophobicContact CD1-CG2 4.35Å; L1090-F1118 HydrophobicContact CD1-CE2 3.84Å; L1090-F1118 HydrophobicContact CD1-CZ 3.89Å |
| 1091 | Q | 90.1 | Very high | 90.5 | Very high | 99 Ų | 99 | 39.4 Ų | 39.4 | 46% | 0.463 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.4 | -23.4 | 171.7 | -69.5 | -170 | -63.1 | 0 | 0 | 112.9 | W1087 K1088 I1089 T1108 | W1087-Q1091 HydrophobicContact CD2-CG 4.31Å; W1087-Q1091 HydrophobicContact CE3-CG 4.05Å; W1087-Q1091 HydrophobicContact CH2-CG 4.2Å; W1087-Q1091 HydrophobicContact CZ2-CG 4.4Å; W1087-Q1091 HydrophobicContact CZ3-CG 4.02Å; W1087-Q1091 VanDerWaalsContact CZ3-NE2 3.33Å; W1087-Q1091 WeakPolarHBondContact O-CG 3.37Å; W1087-Q1091 PolarHBondContact O-N 2.62Å; W1087-Q1091 VanDerWaalsContact O-N 3.09Å; K1088-Q1091 PolarHBondContact O-N 3.45Å; I1089-Q1091 PolarHBondContact O-N 2.87Å; Q1091-T1108 HydrophobicContact CG-CG2 4.29Å |
| 1092 | K | 88.5 | Confident | 90.8 | Very high | 38 Ų | 38 | 41 Ų | 41 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -107.5 | -6.4 | -173.4 | -61.9 | -171.4 | 175.7 | -164 | 0 | 113.5 | I1089 L1090 A1149 V1151 V1153 S1155 I1156 | I1089-K1092 PolarHBondContact O-N 2.89Å; L1090-K1092 PolarHBondContact O-N 3.27Å; K1092-A1149 VanDerWaalsContact CE-O 3.28Å; K1092-A1149 WeakPolarHBondContact CE-O 3.39Å; K1092-A1149 PolarHBondContact NZ-O 3.18Å; K1092-V1151 PolarHBondContact NZ-O 3.3Å; K1092-V1153 WeakPolarHBondContact CE-O 3.46Å; K1092-V1153 PolarHBondContact NZ-O 2.74Å; K1092-S1155 CarbonylContact O-C 3.56Å; K1092-S1155 WeakPolarHBondContact O-CA 3.19Å; K1092-S1155 PolarHBondContact O-OG 2.77Å; K1092-I1156 HydrophobicContact CB-CD1 4.1Å; K1092-I1156 HydrophobicContact CB-CG1 4.13Å; K1092-I1156 PolarHBondContact O-N 3.26Å |
| 1093 | C | 89.4 | Confident | 90.9 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.054 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 170 | 179.7 | 70.3 | 0 | 0 | 0 | 0 | 112.2 | I1089 G1095 S1105 G1157 I1160 | I1089-C1093 PolarHBondContact O-N 2.92Å; I1089-C1093 PolarHBondContact O-SG 2.74Å; I1089-C1093 VanDerWaalsContact O-SG 3.39Å; C1093-G1095 VanDerWaalsContact C-N 3.33Å; C1093-G1095 PolarHBondContact SG-O 3.11Å; C1093-G1095 VanDerWaalsContact SG-O 3.41Å; C1093-S1105 VanDerWaalsContact O-CB 3.22Å; C1093-S1105 WeakPolarHBondContact O-CB 3.4Å; C1093-G1157 CarbonylContact C-O 3.53Å; C1093-G1157 VanDerWaalsContact CA-O 3.28Å; C1093-G1157 WeakPolarHBondContact CA-O 3.3Å; C1093-I1160 HydrophobicContact CB-CD1 3.76Å; C1093-I1160 HydrophobicContact CB-CG1 4.06Å |
| 1094 | H | 89.5 | Confident | 90.9 | Very high | 126 Ų | 126 | 42.2 Ų | 42.2 | 58% | 0.583 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -29 | 176.2 | -70.1 | 80.7 | 0 | 0 | 0 | 112.4 | S1105 G1157 G1158 I1159 | H1094-S1105 WeakPolarHBondContact O-CB 3.46Å; H1094-S1105 PolarHBondContact O-N 2.88Å; H1094-S1105 PolarHBondContact O-OG 2.87Å; H1094-G1157 PolarHBondContact N-O 3.08Å; H1094-G1157 PolarHBondContact ND1-O 3.23Å; H1094-G1158 PolarHBondContact N-O 2.78Å; H1094-G1158 WeakPolarHBondContact ND1-CA 3.17Å; H1094-I1159 HydrophobicContact CB-CG1 4.35Å |
| 1095 | G | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | 167.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1093 L1103 I1159 I1160 | C1093-G1095 VanDerWaalsContact C-N 3.33Å; C1093-G1095 PolarHBondContact SG-O 3.11Å; C1093-G1095 VanDerWaalsContact SG-O 3.41Å; G1095-L1103 CarbonylContact C-O 3.51Å; G1095-L1103 WeakPolarHBondContact CA-O 3.47Å; G1095-I1159 WeakPolarHBondContact O-CA 3.49Å; G1095-I1160 PolarHBondContact O-N 3.22Å |
| 1096 | L | 93.7 | Very high | 90.7 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.7 | 177.1 | -170.6 | 69.1 | 0 | 0 | 0 | 109.1 | V1086 I1089 L1090 I1098 L1103 V1142 L1145 I1160 V1162 | V1086-L1096 HydrophobicContact CG1-CD2 4.21Å; I1089-L1096 HydrophobicContact CG2-CD1 4.35Å; L1090-L1096 HydrophobicContact CD2-CB 3.93Å; L1096-I1098 HydrophobicContact CD2-CD1 4.37Å; L1096-L1103 HydrophobicContact CB-CB 4.44Å; L1096-L1103 PolarHBondContact N-O 3.38Å; L1096-L1103 PolarHBondContact O-N 3.49Å; L1096-V1142 HydrophobicContact CD2-CG2 4.27Å; L1096-L1145 HydrophobicContact CD1-CD2 3.95Å; L1096-I1160 HydrophobicContact CD1-CB 4.06Å; L1096-I1160 HydrophobicContact CD1-CG2 4.11Å; L1096-V1162 HydrophobicContact CD1-CG2 3.44Å; L1096-V1162 VanDerWaalsContact CD1-CG2 3.44Å; L1096-V1162 HydrophobicContact CD2-CG2 4.39Å; L1096-V1162 HydrophobicContact CG-CG2 3.83Å |
| 1097 | S | 93.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.7 | -179 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | Y1101 I1160 H1161 V1162 | S1097-Y1101 CarbonylContact C-O 3.48Å; S1097-Y1101 VanDerWaalsContact CA-O 3.25Å; S1097-Y1101 WeakPolarHBondContact CA-O 3.49Å; S1097-I1160 PolarHBondContact N-O 3.05Å; S1097-H1161 WeakPolarHBondContact CB-ND1 3.28Å; S1097-H1161 PolarHBondContact OG-ND1 3.11Å; S1097-V1162 PolarHBondContact O-N 3.1Å |
| 1098 | I | 92.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 121.6 | 177.5 | -55.8 | 177.7 | 0 | 0 | 0 | 107 | L1096 G1100 Y1101 V1125 L1126 V1129 L1138 V1162 | L1096-I1098 HydrophobicContact CD2-CD1 4.37Å; I1098-G1100 VanDerWaalsContact C-N 3.26Å; I1098-G1100 PolarHBondContact O-N 3.14Å; I1098-Y1101 PolarHBondContact N-O 3.23Å; I1098-Y1101 PolarHBondContact O-N 3.47Å; I1098-V1125 HydrophobicContact CB-CG1 3.84Å; I1098-V1125 HydrophobicContact CD1-CG1 4.13Å; I1098-V1125 HydrophobicContact CG1-CG1 4.26Å; I1098-L1126 HydrophobicContact CD1-CD2 3.77Å; I1098-L1126 HydrophobicContact CD1-CG 4.45Å; I1098-V1129 HydrophobicContact CG2-CG2 3.89Å; I1098-L1138 HydrophobicContact CG2-CD1 3.96Å; I1098-V1162 HydrophobicContact CG1-CB 4.25Å; I1098-V1162 HydrophobicContact CG1-CG2 3.89Å |
| 1099 | D | 85 | Confident | 90 | Very high | 64 Ų | 64 | 42 Ų | 42 | 34% | 0.342 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 43.9 | -178.8 | -160.8 | 22.1 | 0 | 0 | 0 | 113.9 | Y1101 V1129 E1163 | D1099-Y1101 WeakPolarHBondContact O-CD2 3.38Å; D1099-Y1101 PolarHBondContact O-N 2.91Å; D1099-Y1101 VanDerWaalsContact O-N 3.09Å; D1099-V1129 HydrophobicContact CB-CG2 4.06Å; D1099-E1163 WeakPolarHBondContact CA-OE1 3.43Å; D1099-E1163 WeakPolarHBondContact CB-OE1 3.49Å; D1099-E1163 VanDerWaalsContact N-CD 3.33Å; D1099-E1163 PolarHBondContact N-OE1 3.33Å; D1099-E1163 VanDerWaalsContact N-OE1 3.08Å |
| 1100 | G | 83.4 | Confident | 89.7 | Confident | 61 Ų | 61 | 44.9 Ų | 44.9 | 63% | 0.629 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -13.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | I1098 | I1098-G1100 VanDerWaalsContact C-N 3.26Å; I1098-G1100 PolarHBondContact O-N 3.14Å |
| 1101 | Y | 89.8 | Confident | 89.5 | Confident | 117 Ų | 117 | 45.5 Ų | 45.5 | 46% | 0.459 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 132.7 | 174.4 | -66.1 | -89 | 0 | 0 | 0 | 110.6 | S1097 I1098 D1099 H1128 | S1097-Y1101 CarbonylContact C-O 3.48Å; S1097-Y1101 VanDerWaalsContact CA-O 3.25Å; S1097-Y1101 WeakPolarHBondContact CA-O 3.49Å; I1098-Y1101 PolarHBondContact N-O 3.23Å; I1098-Y1101 PolarHBondContact O-N 3.47Å; D1099-Y1101 WeakPolarHBondContact O-CD2 3.38Å; D1099-Y1101 PolarHBondContact O-N 2.91Å; D1099-Y1101 VanDerWaalsContact O-N 3.09Å; Y1101-H1128 AromaticContact CD1-CE1 3.99Å; Y1101-H1128 AromaticContact CD1-NE2 3.87Å; Y1101-H1128 HydrophobicContact CD2-CB 3.7Å; Y1101-H1128 AromaticContact CD2-CD2 3.73Å; Y1101-H1128 AromaticContact CD2-CG 3.51Å; Y1101-H1128 AromaticContact CD2-ND1 4Å; Y1101-H1128 AromaticContact CE1-CD2 3.59Å; Y1101-H1128 AromaticContact CE1-NE2 3.43Å; Y1101-H1128 WeakPolarHBondContact CE1-NE2 3.26Å; Y1101-H1128 HydrophobicContact CE2-CB 3.67Å; Y1101-H1128 AromaticContact CE2-CD2 3.19Å; Y1101-H1128 WeakPolarHBondContact CE2-CD2 3.44Å; Y1101-H1128 AromaticContact CE2-CG 3.42Å; Y1101-H1128 VanDerWaalsContact CE2-CG 3.42Å; Y1101-H1128 AromaticContact CE2-NE2 3.94Å; Y1101-H1128 AromaticContact CZ-CD2 3.1Å; Y1101-H1128 AromaticContact CZ-CG 3.8Å; Y1101-H1128 AromaticContact CZ-NE2 3.48Å; Y1101-H1128 PolarHBondContact OH-CD2 2.88Å |
| 1102 | V | 91.5 | Very high | 89.5 | Confident | 66 Ų | 66 | 41.2 Ų | 41.2 | 40% | 0.4 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.6 | -178.1 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | P1104 I1159 | V1102-P1104 VanDerWaalsContact O-CD 3.29Å; V1102-P1104 WeakPolarHBondContact O-CD 3.15Å; V1102-I1159 HydrophobicContact CG1-CD1 4.27Å; V1102-I1159 HydrophobicContact CG1-CG2 4.29Å; V1102-I1159 HydrophobicContact CG2-CD1 4.45Å; V1102-I1159 HydrophobicContact CG2-CG2 4.37Å |
| 1103 | L | 92.9 | Very high | 89.5 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 106.5 | 164.3 | -173.2 | 61.5 | 0 | 0 | 0 | 108.4 | V1086 L1090 G1095 L1096 T1107 Q1121 V1122 V1125 | V1086-L1103 HydrophobicContact CG1-CD2 3.87Å; L1090-L1103 HydrophobicContact CD1-CD2 3.65Å; L1090-L1103 HydrophobicContact CD1-CG 3.79Å; L1090-L1103 HydrophobicContact CD2-CB 4.47Å; L1090-L1103 HydrophobicContact CD2-CD2 4.45Å; L1090-L1103 HydrophobicContact CD2-CG 4.24Å; L1090-L1103 VanDerWaalsContact CD2-O 3.25Å; L1090-L1103 WeakPolarHBondContact CD2-O 3.45Å; L1090-L1103 HydrophobicContact CG-CD2 4.48Å; G1095-L1103 CarbonylContact C-O 3.51Å; G1095-L1103 WeakPolarHBondContact CA-O 3.47Å; L1096-L1103 HydrophobicContact CB-CB 4.44Å; L1096-L1103 PolarHBondContact N-O 3.38Å; L1096-L1103 PolarHBondContact O-N 3.49Å; L1103-T1107 HydrophobicContact CD1-CG2 4.48Å; L1103-Q1121 HydrophobicContact CD1-CG 3.87Å; L1103-V1122 HydrophobicContact CD2-CB 4.49Å; L1103-V1122 HydrophobicContact CD2-CG2 3.82Å; L1103-V1125 HydrophobicContact CB-CG2 4.31Å; L1103-V1125 HydrophobicContact CD1-CG2 4.37Å |
| 1104 | P | 92.3 | Very high | 89.3 | Confident | 47 Ų | 47 | 41.8 Ų | 41.8 | 31% | 0.305 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 152.3 | -172.6 | 32 | -35.4 | 0 | 0 | 0 | 111.6 | V1102 S1106 T1107 | V1102-P1104 VanDerWaalsContact O-CD 3.29Å; V1102-P1104 WeakPolarHBondContact O-CD 3.15Å; P1104-S1106 WeakPolarHBondContact CB-OG 3.37Å; P1104-S1106 WeakPolarHBondContact CG-OG 3.25Å; P1104-S1106 PolarHBondContact O-N 3.34Å; P1104-T1107 VanDerWaalsContact O-CB 3.29Å; P1104-T1107 WeakPolarHBondContact O-CB 3.5Å; P1104-T1107 PolarHBondContact O-N 3.48Å; P1104-T1107 VanDerWaalsContact O-N 3.16Å; P1104-T1107 PolarHBondContact O-OG1 2.93Å |
| 1105 | S | 90.1 | Very high | 89.3 | Confident | 35 Ų | 35 | 36.1 Ų | 36.1 | 25% | 0.245 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.8 | 172.9 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | L1090 C1093 H1094 T1107 T1108 | L1090-S1105 VanDerWaalsContact O-CB 3.3Å; L1090-S1105 WeakPolarHBondContact O-CB 3.25Å; C1093-S1105 VanDerWaalsContact O-CB 3.22Å; C1093-S1105 WeakPolarHBondContact O-CB 3.4Å; H1094-S1105 WeakPolarHBondContact O-CB 3.46Å; H1094-S1105 PolarHBondContact O-N 2.88Å; H1094-S1105 PolarHBondContact O-OG 2.87Å; S1105-T1107 PolarHBondContact O-N 3.38Å; S1105-T1107 VanDerWaalsContact O-N 3.12Å; S1105-T1108 WeakPolarHBondContact O-CB 3.43Å; S1105-T1108 PolarHBondContact O-N 3.22Å; S1105-T1108 PolarHBondContact O-OG1 3.11Å |
| 1106 | S | 88.1 | Confident | 88.9 | Confident | 47 Ų | 47 | 37.5 Ų | 37.5 | 33% | 0.329 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.9 | 174.6 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | P1104 T1108 R1109 E1110 | P1104-S1106 WeakPolarHBondContact CB-OG 3.37Å; P1104-S1106 WeakPolarHBondContact CG-OG 3.25Å; P1104-S1106 PolarHBondContact O-N 3.34Å; S1106-T1108 PolarHBondContact O-N 3.41Å; S1106-T1108 VanDerWaalsContact O-N 3.15Å; S1106-R1109 WeakPolarHBondContact O-CA 3.32Å; S1106-R1109 VanDerWaalsContact O-CB 3.23Å; S1106-R1109 WeakPolarHBondContact O-CB 3.46Å; S1106-R1109 PolarHBondContact O-N 3.38Å; S1106-E1110 PolarHBondContact O-N 3.02Å |
| 1107 | T | 88 | Confident | 88.5 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.5 | -34.1 | 175.1 | -44.9 | 0 | 0 | 0 | 0 | 112.5 | L1103 P1104 S1105 R1109 E1110 M1111 F1118 | L1103-T1107 HydrophobicContact CD1-CG2 4.48Å; P1104-T1107 VanDerWaalsContact O-CB 3.29Å; P1104-T1107 WeakPolarHBondContact O-CB 3.5Å; P1104-T1107 PolarHBondContact O-N 3.48Å; P1104-T1107 VanDerWaalsContact O-N 3.16Å; P1104-T1107 PolarHBondContact O-OG1 2.93Å; S1105-T1107 PolarHBondContact O-N 3.38Å; S1105-T1107 VanDerWaalsContact O-N 3.12Å; T1107-R1109 PolarHBondContact O-N 3.45Å; T1107-E1110 PolarHBondContact O-N 2.98Å; T1107-M1111 HydrophobicContact CG2-SD 4.38Å; T1107-M1111 PolarHBondContact O-N 3.46Å; T1107-F1118 HydrophobicContact CG2-CD2 3.81Å; T1107-F1118 HydrophobicContact CG2-CE2 3.95Å |
| 1108 | T | 89.1 | Confident | 88.4 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.8 | -16.8 | 177.9 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | R298 W1087 L1090 Q1091 S1105 S1106 M1111 | R298-T1108 PolarHBondContact NH1-O 2.88Å; R298-T1108 PolarHBondContact NH2-O 3.49Å; W1087-T1108 HydrophobicContact CG-CG2 4.39Å; L1090-T1108 HydrophobicContact CB-CG2 3.6Å; L1090-T1108 HydrophobicContact CD1-CG2 4.35Å; Q1091-T1108 HydrophobicContact CG-CG2 4.29Å; S1105-T1108 WeakPolarHBondContact O-CB 3.43Å; S1105-T1108 PolarHBondContact O-N 3.22Å; S1105-T1108 PolarHBondContact O-OG1 3.11Å; S1106-T1108 PolarHBondContact O-N 3.41Å; S1106-T1108 VanDerWaalsContact O-N 3.15Å; T1108-M1111 CarbonylContact C-O 3.48Å |
| 1109 | R | 86.5 | Confident | 88.2 | Confident | 140 Ų | 140 | 40.5 Ų | 40.5 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -80.8 | -36.4 | 173.9 | -55.4 | -178.1 | 178.5 | -176.1 | -1.2 | 110.9 | R298 K319 S1106 T1107 | R298-R1109 PolarHBondContact NH1-O 3.37Å; K319-R1109 HydrophobicContact CB-CB 3.91Å; K319-R1109 HydrophobicContact CB-CG 4.46Å; K319-R1109 WeakPolarHBondContact CB-O 3.41Å; K319-R1109 HydrophobicContact CG-CB 4.4Å; K319-R1109 HydrophobicContact CG-CG 4.48Å; K319-R1109 PolarHBondContact N-O 3.18Å; S1106-R1109 WeakPolarHBondContact O-CA 3.32Å; S1106-R1109 VanDerWaalsContact O-CB 3.23Å; S1106-R1109 WeakPolarHBondContact O-CB 3.46Å; S1106-R1109 PolarHBondContact O-N 3.38Å; T1107-R1109 PolarHBondContact O-N 3.45Å |
| 1110 | E | 84.4 | Confident | 88.3 | Confident | 61 Ų | 61 | 38.7 Ų | 38.7 | 29% | 0.285 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -79.7 | -35.1 | -179.6 | -62.1 | 177.8 | -160.2 | 0 | 0 | 112 | P315 L318 S1106 T1107 | P315-E1110 HydrophobicContact CB-CG 4Å; P315-E1110 WeakPolarHBondContact O-CG 3.44Å; L318-E1110 WeakPolarHBondContact CD2-O 3.4Å; S1106-E1110 PolarHBondContact O-N 3.02Å; T1107-E1110 PolarHBondContact O-N 2.98Å |
| 1111 | M | 89.8 | Confident | 88.5 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | trans | -131.1 | 157.4 | -169.5 | -56.6 | -179.5 | -160.8 | 0 | 0 | 113 | R298 W1087 T1107 T1108 E1115 K1117 F1118 Q1121 | R298-M1111 PolarHBondContact NH1-O 2.93Å; R298-M1111 VanDerWaalsContact NH1-O 3.12Å; W1087-M1111 PolarHBondContact NE1-O 2.93Å; T1107-M1111 HydrophobicContact CG2-SD 4.38Å; T1107-M1111 PolarHBondContact O-N 3.46Å; T1108-M1111 CarbonylContact C-O 3.48Å; M1111-E1115 WeakPolarHBondContact CA-OE2 3.32Å; M1111-E1115 WeakPolarHBondContact CB-OE2 3.25Å; M1111-K1117 HydrophobicContact CE-CD 3.85Å; M1111-K1117 HydrophobicContact CE-CG 3.75Å; M1111-K1117 HydrophobicContact SD-CB 3.98Å; M1111-K1117 HydrophobicContact SD-CD 4.2Å; M1111-K1117 HydrophobicContact SD-CG 3.82Å; M1111-F1118 HydrophobicContact CB-CB 4.06Å; M1111-F1118 HydrophobicContact CB-CD2 4.43Å; M1111-F1118 VanDerWaalsContact SD-CA 3.53Å; M1111-F1118 HydrophobicContact SD-CB 4.01Å; M1111-F1118 PolarHBondContact SD-N 3.46Å; M1111-F1118 VanDerWaalsContact SD-N 3.43Å; M1111-Q1121 VanDerWaalsContact CE-OE1 3.28Å | ||
| 1112 | T | 89.4 | Confident | 88.5 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | trans | -95.9 | 166.7 | 172 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | E254 I297 G1114 E1115 | E254-T1112 PolarHBondContact OE2-OG1 3.27Å; I297-T1112 HydrophobicContact CG2-CG2 4.27Å; T1112-G1114 PolarHBondContact O-N 3.38Å; T1112-G1114 PolarHBondContact OG1-N 2.9Å; T1112-E1115 WeakPolarHBondContact CG2-OE1 3.27Å; T1112-E1115 PolarHBondContact N-OE1 3.4Å; T1112-E1115 PolarHBondContact N-OE2 3.27Å; T1112-E1115 PolarHBondContact O-N 3.29Å; T1112-E1115 WeakPolarHBondContact OG1-CG 3.26Å; T1112-E1115 PolarHBondContact OG1-OE1 3.36Å | ||
| 1113 | A | 88.8 | Confident | 88.3 | Confident | 25 Ų | 25 | 30.2 Ų | 30.2 | 21% | 0.207 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q1084 W1087 | Q1084-A1113 HydrophobicContact CG-CB 4.41Å; W1087-A1113 HydrophobicContact CB-CB 3.98Å; W1087-A1113 HydrophobicContact CD2-CB 3.61Å; W1087-A1113 HydrophobicContact CE3-CB 3.84Å; W1087-A1113 HydrophobicContact CG-CB 3.67Å; W1087-A1113 HydrophobicContact CZ3-CB 4.43Å |
| 1114 | G | 85.8 | Confident | 88 | Confident | 33 Ų | 33 | 32.6 Ų | 32.6 | 34% | 0.34 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -9.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1112 | T1112-G1114 PolarHBondContact O-N 3.38Å; T1112-G1114 PolarHBondContact OG1-N 2.9Å |
| 1115 | E | 88.3 | Confident | 87.8 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | trans | -77.5 | 135.1 | -178 | -76.7 | 166.9 | -159.7 | 0 | 0 | 112.1 | K189 S252 M1111 T1112 K1117 F1118 A1119 | K189-E1115 IonicContact NZ-OE1 2.81Å; K189-E1115 PolarHBondContact NZ-OE1 2.82Å; S252-E1115 VanDerWaalsContact O-CD 3.28Å; S252-E1115 WeakPolarHBondContact O-CG 3.37Å; M1111-E1115 WeakPolarHBondContact CA-OE2 3.32Å; M1111-E1115 WeakPolarHBondContact CB-OE2 3.25Å; T1112-E1115 WeakPolarHBondContact CG2-OE1 3.27Å; T1112-E1115 PolarHBondContact N-OE1 3.4Å; T1112-E1115 PolarHBondContact N-OE2 3.27Å; T1112-E1115 PolarHBondContact O-N 3.29Å; T1112-E1115 WeakPolarHBondContact OG1-CG 3.26Å; T1112-E1115 PolarHBondContact OG1-OE1 3.36Å; E1115-K1117 PolarHBondContact O-N 3.38Å; E1115-F1118 PolarHBondContact O-N 2.65Å; E1115-A1119 PolarHBondContact O-N 3.32Å | ||
| 1116 | I | 84.4 | Confident | 87.7 | Confident | 30 Ų | 30 | 29.7 Ų | 29.7 | 15% | 0.154 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.6 | -35.2 | 173.8 | -66.9 | 172.2 | 0 | 0 | 0 | 109.9 | T251 H853 F1118 A1119 V1120 | T251-I1116 HydrophobicContact CG2-CB 4.06Å; T251-I1116 HydrophobicContact CG2-CG2 4.06Å; T251-I1116 PolarHBondContact O-N 3.49Å; H853-I1116 HydrophobicContact CB-CD1 4.44Å; H853-I1116 WeakPolarHBondContact ND1-CD1 3.32Å; I1116-F1118 PolarHBondContact O-N 2.94Å; I1116-A1119 PolarHBondContact O-N 3.05Å; I1116-V1120 HydrophobicContact CG2-CG2 3.92Å; I1116-V1120 VanDerWaalsContact O-CG2 3.31Å; I1116-V1120 WeakPolarHBondContact O-CG2 3.38Å; I1116-V1120 PolarHBondContact O-N 3.02Å |
| 1117 | K | 85.6 | Confident | 87.4 | Confident | 64 Ų | 64 | 28.5 Ų | 28.5 | 28% | 0.278 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -52.7 | -42.4 | 176.2 | -162.1 | 178.5 | -176.9 | 176.4 | 0 | 112 | D188 T251 M1111 E1115 Q1121 | D188-K1117 IonicContact OD2-NZ 2.61Å; D188-K1117 PolarHBondContact OD2-NZ 3.26Å; T251-K1117 HydrophobicContact CG2-CB 4.3Å; T251-K1117 PolarHBondContact O-N 3.09Å; M1111-K1117 HydrophobicContact CE-CD 3.85Å; M1111-K1117 HydrophobicContact CE-CG 3.75Å; M1111-K1117 HydrophobicContact SD-CB 3.98Å; M1111-K1117 HydrophobicContact SD-CD 4.2Å; M1111-K1117 HydrophobicContact SD-CG 3.82Å; E1115-K1117 PolarHBondContact O-N 3.38Å; K1117-Q1121 PolarHBondContact O-N 2.98Å |
| 1118 | F | 90.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -48.1 | 175.8 | 176.7 | -99.3 | 0 | 0 | 0 | 111.6 | Y1083 V1086 W1087 L1090 T1107 M1111 E1115 I1116 V1120 Q1121 V1122 | Y1083-F1118 WeakPolarHBondContact O-CE1 3.35Å; V1086-F1118 HydrophobicContact CB-CZ 4.49Å; V1086-F1118 HydrophobicContact CG1-CZ 4.15Å; W1087-F1118 HydrophobicContact CB-CD1 4.42Å; W1087-F1118 HydrophobicContact CB-CE1 3.65Å; W1087-F1118 HydrophobicContact CB-CE2 4.43Å; W1087-F1118 HydrophobicContact CB-CZ 3.65Å; W1087-F1118 AromaticContact CD1-CE2 3.83Å; W1087-F1118 AromaticContact CD1-CZ 3.91Å; W1087-F1118 HydrophobicContact CG-CE1 4.37Å; W1087-F1118 HydrophobicContact CG-CZ 4.19Å; L1090-F1118 HydrophobicContact CD1-CE2 3.84Å; L1090-F1118 HydrophobicContact CD1-CZ 3.89Å; T1107-F1118 HydrophobicContact CG2-CD2 3.81Å; T1107-F1118 HydrophobicContact CG2-CE2 3.95Å; M1111-F1118 HydrophobicContact CB-CB 4.06Å; M1111-F1118 HydrophobicContact CB-CD2 4.43Å; M1111-F1118 VanDerWaalsContact SD-CA 3.53Å; M1111-F1118 HydrophobicContact SD-CB 4.01Å; M1111-F1118 PolarHBondContact SD-N 3.46Å; M1111-F1118 VanDerWaalsContact SD-N 3.43Å; E1115-F1118 PolarHBondContact O-N 2.65Å; I1116-F1118 PolarHBondContact O-N 2.94Å; F1118-V1120 VanDerWaalsContact C-N 3.32Å; F1118-V1120 PolarHBondContact O-N 3.34Å; F1118-Q1121 WeakPolarHBondContact O-CB 3.48Å; F1118-Q1121 PolarHBondContact O-N 3.1Å; F1118-Q1121 VanDerWaalsContact O-N 3.12Å; F1118-V1122 HydrophobicContact CD1-CG2 4.24Å; F1118-V1122 HydrophobicContact CE1-CG2 3.68Å; F1118-V1122 HydrophobicContact CE2-CG2 4.36Å; F1118-V1122 HydrophobicContact CZ-CG2 3.76Å; F1118-V1122 WeakPolarHBondContact O-CG2 3.39Å; F1118-V1122 PolarHBondContact O-N 3.49Å; F1118-V1122 VanDerWaalsContact O-N 3.1Å |
| 1119 | A | 88.9 | Confident | 87 | Confident | 8 Ų | 8 | 31 Ų | 31 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L918 Y1083 E1115 I1116 Q1121 V1122 E1123 | L918-A1119 HydrophobicContact CD1-CB 3.44Å; L918-A1119 VanDerWaalsContact CD1-CB 3.44Å; Y1083-A1119 HydrophobicContact CD1-CB 3.56Å; Y1083-A1119 HydrophobicContact CD2-CB 3.88Å; Y1083-A1119 HydrophobicContact CE1-CB 3.9Å; Y1083-A1119 WeakPolarHBondContact CE1-O 3.48Å; Y1083-A1119 HydrophobicContact CE2-CB 4.22Å; Y1083-A1119 HydrophobicContact CG-CB 3.54Å; E1115-A1119 PolarHBondContact O-N 3.32Å; I1116-A1119 PolarHBondContact O-N 3.05Å; A1119-Q1121 VanDerWaalsContact C-N 3.3Å; A1119-Q1121 PolarHBondContact O-N 2.69Å; A1119-V1122 WeakPolarHBondContact O-CB 3.47Å; A1119-V1122 PolarHBondContact O-N 2.96Å; A1119-E1123 PolarHBondContact O-N 3.39Å |
| 1120 | V | 86.1 | Confident | 86.6 | Confident | 26 Ų | 26 | 28.2 Ų | 28.2 | 16% | 0.158 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 175 | 172 | 0 | 0 | 0 | 0 | 111.7 | Q855 I1116 F1118 E1123 S1124 | Q855-V1120 VanDerWaalsContact NE2-CG2 3.29Å; I1116-V1120 HydrophobicContact CG2-CG2 3.92Å; I1116-V1120 VanDerWaalsContact O-CG2 3.31Å; I1116-V1120 WeakPolarHBondContact O-CG2 3.38Å; I1116-V1120 PolarHBondContact O-N 3.02Å; F1118-V1120 VanDerWaalsContact C-N 3.32Å; F1118-V1120 PolarHBondContact O-N 3.34Å; V1120-E1123 PolarHBondContact O-N 2.78Å; V1120-S1124 PolarHBondContact O-N 3.09Å |
| 1121 | Q | 87.7 | Confident | 86.6 | Confident | 60 Ų | 60 | 28 Ų | 28 | 28% | 0.28 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 176.8 | -169 | 173.8 | -3.9 | 0 | 0 | 112 | L1103 M1111 K1117 F1118 A1119 S1124 V1125 | L1103-Q1121 HydrophobicContact CD1-CG 3.87Å; M1111-Q1121 VanDerWaalsContact CE-OE1 3.28Å; K1117-Q1121 PolarHBondContact O-N 2.98Å; F1118-Q1121 WeakPolarHBondContact O-CB 3.48Å; F1118-Q1121 PolarHBondContact O-N 3.1Å; F1118-Q1121 VanDerWaalsContact O-N 3.12Å; A1119-Q1121 VanDerWaalsContact C-N 3.3Å; A1119-Q1121 PolarHBondContact O-N 2.69Å; Q1121-S1124 WeakPolarHBondContact O-CB 3.37Å; Q1121-S1124 PolarHBondContact O-N 3.01Å; Q1121-V1125 PolarHBondContact O-N 3.18Å |
| 1122 | V | 90.9 | Very high | 86.4 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 172.8 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | F1082 Y1083 V1086 L1103 F1118 A1119 S1124 V1125 L1126 | F1082-V1122 HydrophobicContact CE1-CG1 3.72Å; F1082-V1122 HydrophobicContact CZ-CG1 4.35Å; Y1083-V1122 HydrophobicContact CD1-CB 3.92Å; Y1083-V1122 HydrophobicContact CD1-CG1 4.13Å; Y1083-V1122 HydrophobicContact CD1-CG2 4.28Å; Y1083-V1122 HydrophobicContact CE1-CB 4.23Å; Y1083-V1122 HydrophobicContact CE1-CG1 4.36Å; V1086-V1122 HydrophobicContact CB-CG1 4.44Å; V1086-V1122 HydrophobicContact CB-CG2 4.3Å; V1086-V1122 HydrophobicContact CG1-CG1 4.12Å; V1086-V1122 HydrophobicContact CG1-CG2 3.78Å; V1086-V1122 HydrophobicContact CG2-CG1 4.1Å; L1103-V1122 HydrophobicContact CD2-CB 4.49Å; L1103-V1122 HydrophobicContact CD2-CG2 3.82Å; F1118-V1122 HydrophobicContact CD1-CG2 4.24Å; F1118-V1122 HydrophobicContact CE1-CG2 3.68Å; F1118-V1122 HydrophobicContact CE2-CG2 4.36Å; F1118-V1122 HydrophobicContact CZ-CG2 3.76Å; F1118-V1122 WeakPolarHBondContact O-CG2 3.39Å; F1118-V1122 PolarHBondContact O-N 3.49Å; F1118-V1122 VanDerWaalsContact O-N 3.1Å; A1119-V1122 WeakPolarHBondContact O-CB 3.47Å; A1119-V1122 PolarHBondContact O-N 2.96Å; V1122-S1124 VanDerWaalsContact C-N 3.34Å; V1122-S1124 PolarHBondContact O-N 3.31Å; V1122-V1125 PolarHBondContact O-N 2.7Å; V1122-L1126 HydrophobicContact CG1-CD1 4.37Å; V1122-L1126 PolarHBondContact O-N 3.33Å; V1122-L1126 VanDerWaalsContact O-N 3.12Å |
| 1123 | E | 88 | Confident | 86.4 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 176.8 | -71.7 | -159.1 | 155.9 | 0 | 0 | 112.8 | L918 R919 Y1083 A1119 V1120 V1125 L1126 N1127 | L918-E1123 WeakPolarHBondContact CB-OE1 3.47Å; L918-E1123 HydrophobicContact CD1-CG 4.48Å; R919-E1123 WeakPolarHBondContact CB-OE2 3.44Å; Y1083-E1123 HydrophobicContact CE1-CG 3.81Å; Y1083-E1123 WeakPolarHBondContact OH-CG 3.4Å; Y1083-E1123 PolarHBondContact OH-OE1 2.98Å; A1119-E1123 PolarHBondContact O-N 3.39Å; V1120-E1123 PolarHBondContact O-N 2.78Å; E1123-V1125 PolarHBondContact O-N 3.41Å; E1123-L1126 PolarHBondContact O-N 3.42Å; E1123-L1126 VanDerWaalsContact O-N 3.11Å; E1123-N1127 WeakPolarHBondContact O-CB 3.44Å; E1123-N1127 PolarHBondContact O-N 2.92Å; E1123-N1127 PolarHBondContact O-ND2 3.1Å; E1123-N1127 VanDerWaalsContact O-ND2 3.08Å |
| 1124 | S | 85.4 | Confident | 86.5 | Confident | 55 Ų | 55 | 27.6 Ų | 27.6 | 39% | 0.385 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -55.6 | -39.8 | 176.5 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | V1120 Q1121 V1122 H1128 | V1120-S1124 PolarHBondContact O-N 3.09Å; Q1121-S1124 WeakPolarHBondContact O-CB 3.37Å; Q1121-S1124 PolarHBondContact O-N 3.01Å; V1122-S1124 VanDerWaalsContact C-N 3.34Å; V1122-S1124 PolarHBondContact O-N 3.31Å; S1124-H1128 PolarHBondContact O-CE1 2.81Å; S1124-H1128 PolarHBondContact O-ND1 2.77Å |
| 1125 | V | 88.3 | Confident | 86.8 | Confident | 16 Ų | 16 | 26.4 Ų | 26.4 | 10% | 0.097 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.7 | -47.3 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 111 | I1098 L1103 Q1121 V1122 E1123 N1127 H1128 | I1098-V1125 HydrophobicContact CB-CG1 3.84Å; I1098-V1125 HydrophobicContact CD1-CG1 4.13Å; I1098-V1125 HydrophobicContact CG1-CG1 4.26Å; L1103-V1125 HydrophobicContact CB-CG2 4.31Å; L1103-V1125 HydrophobicContact CD1-CG2 4.37Å; Q1121-V1125 PolarHBondContact O-N 3.18Å; V1122-V1125 PolarHBondContact O-N 2.7Å; E1123-V1125 PolarHBondContact O-N 3.41Å; V1125-N1127 PolarHBondContact O-N 3.42Å; V1125-H1128 PolarHBondContact O-N 2.85Å; V1125-H1128 PolarHBondContact O-ND1 3.22Å |
| 1126 | L | 87.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.5 | -30.4 | 178 | -70.7 | 170.3 | 0 | 0 | 0 | 113.8 | F1082 I1098 V1122 E1123 H1128 V1129 R1135 V1139 | F1082-L1126 HydrophobicContact CE1-CD1 3.79Å; F1082-L1126 HydrophobicContact CZ-CD1 3.85Å; I1098-L1126 HydrophobicContact CD1-CD2 3.77Å; I1098-L1126 HydrophobicContact CD1-CG 4.45Å; V1122-L1126 HydrophobicContact CG1-CD1 4.37Å; V1122-L1126 PolarHBondContact O-N 3.33Å; V1122-L1126 VanDerWaalsContact O-N 3.12Å; E1123-L1126 PolarHBondContact O-N 3.42Å; E1123-L1126 VanDerWaalsContact O-N 3.11Å; L1126-H1128 PolarHBondContact O-N 3.41Å; L1126-V1129 WeakPolarHBondContact O-CB 3.36Å; L1126-V1129 PolarHBondContact O-N 2.75Å; L1126-R1135 PolarHBondContact O-NE 3.32Å; L1126-V1139 HydrophobicContact CD1-CG2 4.2Å; L1126-V1139 HydrophobicContact CD2-CG2 4.22Å |
| 1127 | N | 82.3 | Confident | 87.3 | Confident | 23 Ų | 23 | 25.5 Ų | 25.5 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -17.8 | -177.2 | -80.1 | -35.8 | 0 | 0 | 0 | 114.2 | R919 R921 N1076 E1123 V1125 V1129 | R919-N1127 PolarHBondContact NH1-ND2 3.13Å; R921-N1127 PolarHBondContact NH1-OD1 3.48Å; N1076-N1127 PolarHBondContact ND2-OD1 3.37Å; E1123-N1127 WeakPolarHBondContact O-CB 3.44Å; E1123-N1127 PolarHBondContact O-N 2.92Å; E1123-N1127 PolarHBondContact O-ND2 3.1Å; E1123-N1127 VanDerWaalsContact O-ND2 3.08Å; V1125-N1127 PolarHBondContact O-N 3.42Å; N1127-V1129 PolarHBondContact O-N 3.4Å |
| 1128 | H | 82.8 | Confident | 87.8 | Confident | 70 Ų | 70 | 22.5 Ų | 22.5 | 32% | 0.324 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -29.2 | 174.4 | -69.1 | 87.6 | 0 | 0 | 0 | 112.1 | Y1101 S1124 V1125 L1126 P1130 | Y1101-H1128 AromaticContact CD1-CE1 3.99Å; Y1101-H1128 AromaticContact CD1-NE2 3.87Å; Y1101-H1128 HydrophobicContact CD2-CB 3.7Å; Y1101-H1128 AromaticContact CD2-CD2 3.73Å; Y1101-H1128 AromaticContact CD2-CG 3.51Å; Y1101-H1128 AromaticContact CD2-ND1 4Å; Y1101-H1128 AromaticContact CE1-CD2 3.59Å; Y1101-H1128 AromaticContact CE1-NE2 3.43Å; Y1101-H1128 WeakPolarHBondContact CE1-NE2 3.26Å; Y1101-H1128 HydrophobicContact CE2-CB 3.67Å; Y1101-H1128 AromaticContact CE2-CD2 3.19Å; Y1101-H1128 WeakPolarHBondContact CE2-CD2 3.44Å; Y1101-H1128 AromaticContact CE2-CG 3.42Å; Y1101-H1128 VanDerWaalsContact CE2-CG 3.42Å; Y1101-H1128 AromaticContact CE2-NE2 3.94Å; Y1101-H1128 AromaticContact CZ-CD2 3.1Å; Y1101-H1128 AromaticContact CZ-CG 3.8Å; Y1101-H1128 AromaticContact CZ-NE2 3.48Å; Y1101-H1128 PolarHBondContact OH-CD2 2.88Å; S1124-H1128 PolarHBondContact O-CE1 2.81Å; S1124-H1128 PolarHBondContact O-ND1 2.77Å; V1125-H1128 PolarHBondContact O-N 2.85Å; V1125-H1128 PolarHBondContact O-ND1 3.22Å; L1126-H1128 PolarHBondContact O-N 3.41Å; H1128-P1130 WeakPolarHBondContact O-CD 3.45Å |
| 1129 | V | 85.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -69.4 | 112.3 | 178.6 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | I1098 D1099 L1126 N1127 Y1134 R1135 L1138 | I1098-V1129 HydrophobicContact CG2-CG2 3.89Å; D1099-V1129 HydrophobicContact CB-CG2 4.06Å; L1126-V1129 WeakPolarHBondContact O-CB 3.36Å; L1126-V1129 PolarHBondContact O-N 2.75Å; N1127-V1129 PolarHBondContact O-N 3.4Å; V1129-Y1134 HydrophobicContact CG1-CD1 3.52Å; V1129-Y1134 HydrophobicContact CG1-CE1 4.27Å; V1129-Y1134 HydrophobicContact CG1-CG 4.41Å; V1129-R1135 HydrophobicContact CB-CB 4.15Å; V1129-R1135 HydrophobicContact CB-CG 4.28Å; V1129-R1135 HydrophobicContact CG1-CB 3.94Å; V1129-R1135 VanDerWaalsContact O-CZ 3.27Å; V1129-R1135 PolarHBondContact O-NE 2.93Å; V1129-R1135 VanDerWaalsContact O-NE 3.16Å; V1129-R1135 PolarHBondContact O-NH2 2.97Å; V1129-L1138 HydrophobicContact CB-CD1 4.47Å; V1129-L1138 HydrophobicContact CG1-CD1 4.09Å; V1129-L1138 HydrophobicContact CG2-CD1 3.64Å | ||
| 1130 | P | 79.3 | Confident | 88.1 | Confident | 81 Ų | 81 | 23.3 Ų | 23.3 | 53% | 0.526 | 13% | 0.126 | S | C | . | . | trans | -78.5 | -33.5 | -170.2 | 21.6 | -20.7 | 0 | 0 | 0 | 113.5 | H1128 | H1128-P1130 WeakPolarHBondContact O-CD 3.45Š| ||
| 1131 | Q | 84.9 | Confident | 88.5 | Confident | 55 Ų | 55 | 22.1 Ų | 22.1 | 26% | 0.257 | 12% | 0.119 | S | C | . | . | trans | -82.2 | 120.4 | -178.4 | -59.5 | 78.9 | 9.4 | 0 | 0 | 110.9 | E1133 Y1134 R1135 T1193 | Q1131-E1133 PolarHBondContact O-N 3.12Å; Q1131-Y1134 PolarHBondContact O-N 2.66Å; Q1131-R1135 PolarHBondContact O-N 3.31Å; Q1131-T1193 HydrophobicContact CB-CG2 4.42Å; Q1131-T1193 HydrophobicContact CG-CG2 4.1Å | ||
| 1132 | P | 85.8 | Confident | 88.7 | Confident | 8 Ų | 8 | 19.3 Ų | 19.3 | 5% | 0.052 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | -174.7 | 24.2 | -31.6 | 0 | 0 | 0 | 113.1 | L710 R1070 G1073 A1074 Y1134 R1135 Q1136 | L710-P1132 HydrophobicContact CD1-CG 4.32Å; R1070-P1132 HydrophobicContact CG-CG 4.4Å; R1070-P1132 WeakPolarHBondContact O-CB 3.38Å; G1073-P1132 WeakPolarHBondContact CA-O 3.47Å; A1074-P1132 HydrophobicContact CB-CB 3.96Å; A1074-P1132 HydrophobicContact CB-CG 4.47Å; A1074-P1132 VanDerWaalsContact N-CB 3.3Å; P1132-Y1134 VanDerWaalsContact C-N 3.29Å; P1132-Y1134 PolarHBondContact O-N 2.9Å; P1132-R1135 PolarHBondContact O-N 3.12Å; P1132-Q1136 PolarHBondContact O-N 3.12Å |
| 1133 | E | 87.8 | Confident | 88.7 | Confident | 20 Ų | 20 | 19.5 Ų | 19.5 | 9% | 0.093 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.4 | -35.2 | 177 | 56.4 | -93.8 | -120.6 | 0 | 0 | 113.1 | L1066 R1069 R1070 Q1131 L1137 Y1200 | L1066-E1133 HydrophobicContact CD1-CB 4Å; L1066-E1133 HydrophobicContact CD1-CG 4.09Å; R1069-E1133 HydrophobicContact CB-CB 4.17Å; R1070-E1133 HydrophobicContact CG-CB 4.05Å; R1070-E1133 HydrophobicContact CG-CG 4.49Å; R1070-E1133 WeakPolarHBondContact CG-OE2 3.3Å; R1070-E1133 IonicContact CZ-OE1 3.32Å; R1070-E1133 VanDerWaalsContact CZ-OE1 3.27Å; R1070-E1133 IonicContact NE-OE1 3.85Å; R1070-E1133 PolarHBondContact NE-OE1 2.8Å; R1070-E1133 IonicContact NE-OE2 3.6Å; R1070-E1133 IonicContact NH2-OE1 3.66Å; R1070-E1133 PolarHBondContact NH2-OE1 3.06Å; Q1131-E1133 PolarHBondContact O-N 3.12Å; E1133-L1137 PolarHBondContact O-N 3.12Å; E1133-Y1200 HydrophobicContact CB-CD1 3.86Å; E1133-Y1200 HydrophobicContact CB-CE1 4.04Å; E1133-Y1200 HydrophobicContact CG-CD1 3.9Å; E1133-Y1200 HydrophobicContact CG-CE1 3.79Å; E1133-Y1200 HydrophobicContact CG-CE2 4.5Å; E1133-Y1200 HydrophobicContact CG-CG 4.33Å |
| 1134 | Y | 91.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 19.5 Ų | 19.5 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.9 | -44.7 | 176.6 | -172.3 | -119.2 | 0 | 0 | 0 | 111.6 | V1129 Q1131 P1132 Q1136 L1137 L1138 L1166 T1193 I1195 Y1200 | V1129-Y1134 HydrophobicContact CG1-CD1 3.52Å; V1129-Y1134 HydrophobicContact CG1-CE1 4.27Å; V1129-Y1134 HydrophobicContact CG1-CG 4.41Å; Q1131-Y1134 PolarHBondContact O-N 2.66Å; P1132-Y1134 VanDerWaalsContact C-N 3.29Å; P1132-Y1134 PolarHBondContact O-N 2.9Å; Y1134-Q1136 PolarHBondContact O-N 3.43Å; Y1134-L1137 PolarHBondContact O-N 3.35Å; Y1134-L1137 VanDerWaalsContact O-N 3.1Å; Y1134-L1138 HydrophobicContact CD1-CD1 4Å; Y1134-L1138 HydrophobicContact CE1-CD1 3.79Å; Y1134-L1138 HydrophobicContact CE1-CG 4.38Å; Y1134-L1138 PolarHBondContact O-N 3.39Å; Y1134-L1166 HydrophobicContact CD2-CD2 3.87Å; Y1134-L1166 HydrophobicContact CE2-CD2 3.36Å; Y1134-L1166 HydrophobicContact CE2-CG 4.36Å; Y1134-T1193 HydrophobicContact CD1-CG2 4.06Å; Y1134-T1193 HydrophobicContact CD2-CG2 4.03Å; Y1134-T1193 HydrophobicContact CG-CG2 3.75Å; Y1134-I1195 HydrophobicContact CD2-CG1 3.84Å; Y1134-I1195 HydrophobicContact CE2-CD1 4.15Å; Y1134-I1195 HydrophobicContact CE2-CG1 3.66Å; Y1134-Y1200 HydrophobicContact CD2-CE1 4.49Å; Y1134-Y1200 VanDerWaalsContact CD2-OH 3.28Å; Y1134-Y1200 WeakPolarHBondContact CD2-OH 3.18Å |
| 1135 | R | 91.2 | Very high | 89 | Confident | 8 Ų | 8 | 16.9 Ų | 16.9 | 3% | 0.03 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -52.5 | -42.8 | 172.7 | -169.1 | -173 | -61.2 | 144.2 | 1.1 | 111.2 | G1073 N1076 L1126 V1129 Q1131 P1132 L1138 V1139 | G1073-R1135 PolarHBondContact O-NH1 3.37Å; N1076-R1135 VanDerWaalsContact OD1-CD 3.3Å; N1076-R1135 WeakPolarHBondContact OD1-CD 3.28Å; N1076-R1135 PolarHBondContact OD1-NH1 2.67Å; L1126-R1135 PolarHBondContact O-NE 3.32Å; V1129-R1135 HydrophobicContact CB-CB 4.15Å; V1129-R1135 HydrophobicContact CB-CG 4.28Å; V1129-R1135 HydrophobicContact CG1-CB 3.94Å; V1129-R1135 VanDerWaalsContact O-CZ 3.27Å; V1129-R1135 PolarHBondContact O-NE 2.93Å; V1129-R1135 VanDerWaalsContact O-NE 3.16Å; V1129-R1135 PolarHBondContact O-NH2 2.97Å; Q1131-R1135 PolarHBondContact O-N 3.31Å; P1132-R1135 PolarHBondContact O-N 3.12Å; R1135-L1138 WeakPolarHBondContact O-CB 3.39Å; R1135-L1138 PolarHBondContact O-N 3.49Å; R1135-V1139 WeakPolarHBondContact O-CG2 3.39Å; R1135-V1139 PolarHBondContact O-N 3.04Å |
| 1136 | Q | 91.4 | Very high | 89 | Confident | 19 Ų | 19 | 16.1 Ų | 16.1 | 9% | 0.089 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.2 | -37 | 179.7 | -168.1 | 64.2 | -6.7 | 0 | 0 | 113.4 | R1069 P1132 Y1134 L1138 V1139 E1140 | R1069-Q1136 HydrophobicContact CB-CB 4.12Å; R1069-Q1136 HydrophobicContact CB-CG 4.25Å; R1069-Q1136 HydrophobicContact CG-CB 4.3Å; R1069-Q1136 HydrophobicContact CG-CG 4.03Å; P1132-Q1136 PolarHBondContact O-N 3.12Å; Y1134-Q1136 PolarHBondContact O-N 3.43Å; Q1136-L1138 VanDerWaalsContact C-N 3.31Å; Q1136-L1138 PolarHBondContact O-N 3.03Å; Q1136-V1139 WeakPolarHBondContact O-CB 3.3Å; Q1136-V1139 PolarHBondContact O-N 2.79Å; Q1136-E1140 PolarHBondContact O-N 2.75Å |
| 1137 | L | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.7 | -33.1 | 172.9 | -73 | -177.2 | 0 | 0 | 0 | 112.6 | E1133 Y1134 E1140 T1141 L1166 I1195 F1199 Y1200 T1210 | E1133-L1137 PolarHBondContact O-N 3.12Å; Y1134-L1137 PolarHBondContact O-N 3.35Å; Y1134-L1137 VanDerWaalsContact O-N 3.1Å; L1137-E1140 PolarHBondContact O-N 2.61Å; L1137-T1141 WeakPolarHBondContact O-CB 3.27Å; L1137-T1141 PolarHBondContact O-N 3.4Å; L1137-T1141 PolarHBondContact O-OG1 3.05Å; L1137-L1166 HydrophobicContact CB-CD1 3.86Å; L1137-L1166 HydrophobicContact CB-CD2 3.83Å; L1137-L1166 HydrophobicContact CD1-CD1 4.2Å; L1137-I1195 HydrophobicContact CD1-CG2 4.15Å; L1137-F1199 HydrophobicContact CD1-CD1 3.91Å; L1137-F1199 HydrophobicContact CD1-CE1 4.12Å; L1137-F1199 HydrophobicContact CD2-CE1 4.46Å; L1137-Y1200 HydrophobicContact CD1-CD1 3.48Å; L1137-Y1200 VanDerWaalsContact CD1-CD1 3.48Å; L1137-Y1200 HydrophobicContact CD1-CE1 3.44Å; L1137-Y1200 VanDerWaalsContact CD1-CE1 3.44Å; L1137-Y1200 HydrophobicContact CG-CD1 4.2Å; L1137-Y1200 HydrophobicContact CG-CE1 4.24Å; L1137-T1210 HydrophobicContact CD2-CG2 4.31Å |
| 1138 | L | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.8 | -40.7 | 172.7 | -66.7 | 166.9 | 0 | 0 | 0 | 111.4 | I1098 V1129 Y1134 R1135 Q1136 T1141 V1142 V1162 E1163 L1166 | I1098-L1138 HydrophobicContact CG2-CD1 3.96Å; V1129-L1138 HydrophobicContact CB-CD1 4.47Å; V1129-L1138 HydrophobicContact CG1-CD1 4.09Å; V1129-L1138 HydrophobicContact CG2-CD1 3.64Å; Y1134-L1138 HydrophobicContact CD1-CD1 4Å; Y1134-L1138 HydrophobicContact CE1-CD1 3.79Å; Y1134-L1138 HydrophobicContact CE1-CG 4.38Å; Y1134-L1138 PolarHBondContact O-N 3.39Å; R1135-L1138 WeakPolarHBondContact O-CB 3.39Å; R1135-L1138 PolarHBondContact O-N 3.49Å; Q1136-L1138 VanDerWaalsContact C-N 3.31Å; Q1136-L1138 PolarHBondContact O-N 3.03Å; L1138-T1141 WeakPolarHBondContact O-CB 3.29Å; L1138-T1141 PolarHBondContact O-N 3.41Å; L1138-V1142 WeakPolarHBondContact O-CG2 3.49Å; L1138-V1142 PolarHBondContact O-N 3.03Å; L1138-V1162 HydrophobicContact CB-CG1 4.43Å; L1138-V1162 HydrophobicContact CD2-CB 4.31Å; L1138-V1162 HydrophobicContact CD2-CG1 3.7Å; L1138-E1163 HydrophobicContact CD2-CG 4.06Å; L1138-L1166 HydrophobicContact CD2-CB 4.44Å; L1138-L1166 HydrophobicContact CD2-CD2 3.73Å; L1138-L1166 HydrophobicContact CG-CD2 4.02Å |
| 1139 | V | 93.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.018 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 172.8 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | V1078 P1079 F1082 L1126 R1135 Q1136 T1141 V1142 M1143 | V1078-V1139 HydrophobicContact CB-CG1 4.23Å; V1078-V1139 HydrophobicContact CG1-CG1 4.05Å; V1078-V1139 HydrophobicContact CG1-CG2 4.01Å; P1079-V1139 HydrophobicContact CG-CG1 4.48Å; F1082-V1139 HydrophobicContact CD2-CG1 4.04Å; F1082-V1139 HydrophobicContact CE2-CB 4.37Å; F1082-V1139 HydrophobicContact CE2-CG1 3.87Å; F1082-V1139 HydrophobicContact CE2-CG2 4.45Å; F1082-V1139 HydrophobicContact CZ-CG2 4.42Å; L1126-V1139 HydrophobicContact CD1-CG2 4.2Å; L1126-V1139 HydrophobicContact CD2-CG2 4.22Å; R1135-V1139 WeakPolarHBondContact O-CG2 3.39Å; R1135-V1139 PolarHBondContact O-N 3.04Å; Q1136-V1139 WeakPolarHBondContact O-CB 3.3Å; Q1136-V1139 PolarHBondContact O-N 2.79Å; V1139-T1141 VanDerWaalsContact C-N 3.29Å; V1139-T1141 PolarHBondContact O-N 3.5Å; V1139-V1142 PolarHBondContact O-N 2.79Å; V1139-M1143 WeakPolarHBondContact O-CG 3.43Å; V1139-M1143 PolarHBondContact O-N 3.39Å |
| 1140 | E | 92.7 | Very high | 88.1 | Confident | 23 Ų | 23 | 16.4 Ų | 16.4 | 11% | 0.107 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.8 | -43.9 | 174 | -71.5 | 177.8 | -149.9 | 0 | 0 | 111.1 | R1069 Q1136 L1137 M1143 V1144 T1210 M1211 L1214 | R1069-E1140 IonicContact CZ-OE1 2.69Å; R1069-E1140 IonicContact NE-OE1 3.12Å; R1069-E1140 PolarHBondContact NE-OE1 2.95Å; R1069-E1140 IonicContact NH2-OE1 3.49Å; R1069-E1140 PolarHBondContact NH2-OE1 3.12Å; R1069-E1140 IonicContact NH2-OE2 2.78Å; R1069-E1140 PolarHBondContact NH2-OE2 3.08Å; Q1136-E1140 PolarHBondContact O-N 2.75Å; L1137-E1140 PolarHBondContact O-N 2.61Å; E1140-M1143 WeakPolarHBondContact O-CB 3.29Å; E1140-M1143 PolarHBondContact O-N 3.24Å; E1140-V1144 WeakPolarHBondContact O-CG2 3.39Å; E1140-V1144 PolarHBondContact O-N 2.76Å; E1140-V1144 VanDerWaalsContact O-N 3.14Å; E1140-T1210 PolarHBondContact OE2-OG1 3.44Å; E1140-M1211 HydrophobicContact CB-SD 4.17Å; E1140-L1214 HydrophobicContact CB-CD1 3.75Å |
| 1141 | T | 94 | Very high | 88 | Confident | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 112 | L1137 L1138 V1139 M1143 V1144 L1145 V1162 I1165 L1214 | L1137-T1141 WeakPolarHBondContact O-CB 3.27Å; L1137-T1141 PolarHBondContact O-N 3.4Å; L1137-T1141 PolarHBondContact O-OG1 3.05Å; L1138-T1141 WeakPolarHBondContact O-CB 3.29Å; L1138-T1141 PolarHBondContact O-N 3.41Å; V1139-T1141 VanDerWaalsContact C-N 3.29Å; V1139-T1141 PolarHBondContact O-N 3.5Å; T1141-M1143 VanDerWaalsContact C-N 3.31Å; T1141-M1143 PolarHBondContact O-N 3.27Å; T1141-V1144 PolarHBondContact O-N 3.09Å; T1141-L1145 PolarHBondContact O-N 3.27Å; T1141-V1162 HydrophobicContact CG2-CG1 3.74Å; T1141-I1165 HydrophobicContact CG2-CB 3.88Å; T1141-I1165 HydrophobicContact CG2-CG2 3.6Å; T1141-L1214 HydrophobicContact CG2-CD2 4.21Å; T1141-L1214 WeakPolarHBondContact OG1-CD2 3.4Å |
| 1142 | V | 93.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.5 | -36.4 | 178.2 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | F1082 V1086 I1089 L1096 L1138 V1139 V1144 L1145 G1146 V1162 | F1082-V1142 HydrophobicContact CD2-CG1 4.4Å; F1082-V1142 HydrophobicContact CE2-CB 3.88Å; F1082-V1142 HydrophobicContact CE2-CG1 3.57Å; F1082-V1142 HydrophobicContact CZ-CB 4.44Å; F1082-V1142 HydrophobicContact CZ-CG1 4.01Å; V1086-V1142 HydrophobicContact CG2-CG1 3.6Å; I1089-V1142 HydrophobicContact CD1-CG1 4.11Å; L1096-V1142 HydrophobicContact CD2-CG2 4.27Å; L1138-V1142 WeakPolarHBondContact O-CG2 3.49Å; L1138-V1142 PolarHBondContact O-N 3.03Å; V1139-V1142 PolarHBondContact O-N 2.79Å; V1142-V1144 VanDerWaalsContact C-N 3.35Å; V1142-V1144 PolarHBondContact O-N 2.99Å; V1142-L1145 PolarHBondContact O-N 3.28Å; V1142-G1146 PolarHBondContact O-N 3.33Å; V1142-V1162 HydrophobicContact CG2-CG1 3.86Å; V1142-V1162 HydrophobicContact CG2-CG2 3.93Å |
| 1143 | M | 91.2 | Very high | 86.3 | Confident | 8 Ų | 8 | 21.7 Ų | 21.7 | 4% | 0.039 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 175.2 | -75.5 | -63.1 | -66.7 | 0 | 0 | 112.5 | I1005 P1079 F1082 K1085 V1139 E1140 T1141 G1146 L1147 | I1005-M1143 HydrophobicContact CD1-CE 3.62Å; P1079-M1143 HydrophobicContact CB-CE 3.91Å; P1079-M1143 HydrophobicContact CB-CG 4.49Å; P1079-M1143 HydrophobicContact CB-SD 4.27Å; P1079-M1143 HydrophobicContact CG-CE 4.47Å; P1079-M1143 HydrophobicContact CG-CG 4.1Å; P1079-M1143 HydrophobicContact CG-SD 4.48Å; F1082-M1143 HydrophobicContact CB-SD 4.02Å; F1082-M1143 HydrophobicContact CD2-CG 3.95Å; F1082-M1143 HydrophobicContact CD2-SD 3.68Å; F1082-M1143 HydrophobicContact CG-SD 4.35Å; K1085-M1143 HydrophobicContact CD-CE 3.82Å; K1085-M1143 HydrophobicContact CD-SD 3.89Å; V1139-M1143 WeakPolarHBondContact O-CG 3.43Å; V1139-M1143 PolarHBondContact O-N 3.39Å; E1140-M1143 WeakPolarHBondContact O-CB 3.29Å; E1140-M1143 PolarHBondContact O-N 3.24Å; T1141-M1143 VanDerWaalsContact C-N 3.31Å; T1141-M1143 PolarHBondContact O-N 3.27Å; M1143-G1146 PolarHBondContact O-N 3.23Å; M1143-L1147 PolarHBondContact O-N 3.45Å |
| 1144 | V | 90.1 | Very high | 85.4 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.4 | -44.8 | 174.3 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | L1008 E1140 T1141 V1142 G1146 L1147 M1211 L1214 V1218 | L1008-V1144 HydrophobicContact CD2-CG2 4.26Å; E1140-V1144 WeakPolarHBondContact O-CG2 3.39Å; E1140-V1144 PolarHBondContact O-N 2.76Å; E1140-V1144 VanDerWaalsContact O-N 3.14Å; T1141-V1144 PolarHBondContact O-N 3.09Å; V1142-V1144 VanDerWaalsContact C-N 3.35Å; V1142-V1144 PolarHBondContact O-N 2.99Å; V1144-G1146 PolarHBondContact O-N 3.45Å; V1144-L1147 VanDerWaalsContact O-CB 3.3Å; V1144-L1147 WeakPolarHBondContact O-CB 3.25Å; V1144-L1147 PolarHBondContact O-N 3.39Å; V1144-M1211 HydrophobicContact CG2-CE 3.36Å; V1144-M1211 HydrophobicContact CG2-SD 3.82Å; V1144-L1214 HydrophobicContact CG2-CB 4.09Å; V1144-V1218 HydrophobicContact CB-CG2 4.27Å; V1144-V1218 HydrophobicContact CG1-CB 4.15Å; V1144-V1218 HydrophobicContact CG1-CG2 3.81Å |
| 1145 | L | 89.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -37.4 | 175.2 | -176.6 | 64.8 | 0 | 0 | 0 | 111.9 | I1089 L1096 T1141 V1142 L1147 V1148 A1149 I1160 V1218 V1222 | I1089-L1145 HydrophobicContact CD1-CB 4.22Å; I1089-L1145 HydrophobicContact CD1-CD2 4.06Å; I1089-L1145 HydrophobicContact CD1-CG 4.01Å; I1089-L1145 HydrophobicContact CG1-CD2 4.49Å; I1089-L1145 HydrophobicContact CG1-CG 4.29Å; I1089-L1145 HydrophobicContact CG2-CD2 3.99Å; I1089-L1145 HydrophobicContact CG2-CG 4.47Å; L1096-L1145 HydrophobicContact CD1-CD2 3.95Å; T1141-L1145 PolarHBondContact O-N 3.27Å; V1142-L1145 PolarHBondContact O-N 3.28Å; L1145-L1147 PolarHBondContact O-N 3.19Å; L1145-V1148 WeakPolarHBondContact O-CB 3.49Å; L1145-V1148 PolarHBondContact O-N 2.97Å; L1145-A1149 PolarHBondContact O-N 3.28Å; L1145-A1149 VanDerWaalsContact O-N 3.13Å; L1145-I1160 HydrophobicContact CD1-CD1 4.45Å; L1145-I1160 HydrophobicContact CD2-CD1 4.12Å; L1145-I1160 HydrophobicContact CD2-CG2 3.8Å; L1145-V1218 HydrophobicContact CD1-CG1 4.03Å; L1145-V1222 HydrophobicContact CD1-CG2 4.22Å |
| 1146 | G | 86.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -18.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1085 V1142 M1143 V1144 D1150 | K1085-G1146 PolarHBondContact NZ-O 2.92Å; V1142-G1146 PolarHBondContact O-N 3.33Å; M1143-G1146 PolarHBondContact O-N 3.23Å; V1144-G1146 PolarHBondContact O-N 3.45Å; G1146-D1150 PolarHBondContact O-N 3.4Å |
| 1147 | L | 84.1 | Confident | 82.7 | Confident | 17 Ų | 17 | 30.7 Ų | 30.7 | 9% | 0.089 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.2 | -31.2 | 171.1 | -60.1 | 173.4 | 0 | 0 | 0 | 111.7 | L1008 I1012 M1143 V1144 L1145 D1150 | L1008-L1147 HydrophobicContact CD2-CD1 3.84Å; L1008-L1147 HydrophobicContact CG-CD1 4.42Å; I1012-L1147 HydrophobicContact CD1-CB 4.33Å; I1012-L1147 HydrophobicContact CD1-CD1 3.71Å; M1143-L1147 PolarHBondContact O-N 3.45Å; V1144-L1147 VanDerWaalsContact O-CB 3.3Å; V1144-L1147 WeakPolarHBondContact O-CB 3.25Å; V1144-L1147 PolarHBondContact O-N 3.39Å; L1145-L1147 PolarHBondContact O-N 3.19Å; L1147-D1150 PolarHBondContact O-N 2.78Å |
| 1148 | V | 80.3 | Confident | 82.2 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.2 | -39.2 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | L1145 D1150 V1151 V1218 V1222 | L1145-V1148 WeakPolarHBondContact O-CB 3.49Å; L1145-V1148 PolarHBondContact O-N 2.97Å; V1148-D1150 PolarHBondContact O-N 3.44Å; V1148-V1151 VanDerWaalsContact O-CB 3.31Å; V1148-V1151 WeakPolarHBondContact O-CB 3.47Å; V1148-V1151 PolarHBondContact O-N 3.23Å; V1148-V1218 HydrophobicContact CG2-CG1 3.57Å; V1148-V1222 HydrophobicContact CG1-CG1 4.28Å; V1148-V1222 HydrophobicContact CG1-CG2 4.48Å |
| 1149 | A | 76.3 | Confident | 82 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -24.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1088 I1089 K1092 L1145 V1151 | K1088-A1149 HydrophobicContact CB-CB 4.44Å; I1089-A1149 HydrophobicContact CG1-CB 3.77Å; K1092-A1149 VanDerWaalsContact CE-O 3.28Å; K1092-A1149 WeakPolarHBondContact CE-O 3.39Å; K1092-A1149 PolarHBondContact NZ-O 3.18Å; L1145-A1149 PolarHBondContact O-N 3.28Å; L1145-A1149 VanDerWaalsContact O-N 3.13Å; A1149-V1151 PolarHBondContact O-N 3.29Å |
| 1150 | D | 79.6 | Confident | 81.9 | Confident | 72 Ų | 72 | 35 Ų | 35 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -6.8 | 173.9 | -72.5 | -35.9 | 0 | 0 | 0 | 113.1 | K1085 K1088 G1146 L1147 V1148 | K1085-D1150 IonicContact NZ-OD2 2.77Å; K1085-D1150 PolarHBondContact NZ-OD2 2.74Å; K1088-D1150 IonicContact NZ-OD1 2.85Å; K1088-D1150 PolarHBondContact NZ-OD1 3.25Å; G1146-D1150 PolarHBondContact O-N 3.4Å; L1147-D1150 PolarHBondContact O-N 2.78Å; V1148-D1150 PolarHBondContact O-N 3.44Å |
| 1151 | V | 76.8 | Confident | 81.9 | Confident | 44 Ų | 44 | 36.6 Ų | 36.6 | 27% | 0.267 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -85.8 | 143.4 | 172.8 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | K1092 V1148 A1149 V1153 | K1092-V1151 PolarHBondContact NZ-O 3.3Å; V1148-V1151 VanDerWaalsContact O-CB 3.31Å; V1148-V1151 WeakPolarHBondContact O-CB 3.47Å; V1148-V1151 PolarHBondContact O-N 3.23Å; A1149-V1151 PolarHBondContact O-N 3.29Å; V1151-V1153 HydrophobicContact CB-CG2 4.41Å; V1151-V1153 HydrophobicContact CG1-CG2 4.13Å; V1151-V1153 PolarHBondContact O-N 3.39Å |
| 1152 | D | 65.9 | Low | 81.9 | Confident | 169 Ų | 169 | 36.6 Ų | 36.6 | 90% | 0.904 | 21% | 0.211 | S | C | * | . | trans | -67.9 | 75.9 | 176 | -83.9 | -23.1 | 0 | 0 | 0 | 111.8 | ||||
| 1153 | V | 69.9 | Low | 81.9 | Confident | 42 Ų | 42 | 38.6 Ų | 38.6 | 26% | 0.255 | 22% | 0.221 | S | C | . | . | trans | -116.6 | 129.8 | 167.6 | -173.2 | 0 | 0 | 0 | 0 | 107.7 | K1092 V1151 L1226 | K1092-V1153 WeakPolarHBondContact CE-O 3.46Å; K1092-V1153 PolarHBondContact NZ-O 2.74Å; V1151-V1153 HydrophobicContact CB-CG2 4.41Å; V1151-V1153 HydrophobicContact CG1-CG2 4.13Å; V1151-V1153 PolarHBondContact O-N 3.39Å; V1153-L1226 HydrophobicContact CG1-CD2 4.02Å | ||
| 1154 | D | 67.7 | Low | 81.9 | Confident | 168 Ų | 168 | 45.7 Ų | 45.7 | 90% | 0.898 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -66.6 | -36.1 | -176.1 | -65.8 | -32.5 | 0 | 0 | 0 | 112.8 | ||
| 1155 | S | 74.5 | Confident | 82.1 | Confident | 58 Ų | 58 | 45.6 Ų | 45.6 | 41% | 0.406 | 25% | 0.247 | S | C | . | . | trans | -158.5 | 138.9 | 176.5 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | K1092 G1157 | K1092-S1155 CarbonylContact O-C 3.56Å; K1092-S1155 WeakPolarHBondContact O-CA 3.19Å; K1092-S1155 PolarHBondContact O-OG 2.77Å; S1155-G1157 VanDerWaalsContact C-N 3.33Å; S1155-G1157 PolarHBondContact OG-N 2.99Å; S1155-G1157 VanDerWaalsContact OG-N 3.13Å | ||
| 1156 | I | 73.4 | Confident | 82.4 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | trans | -89.2 | -4.3 | 169.9 | -56.5 | 169.5 | 0 | 0 | 0 | 110.2 | K1092 I1160 V1222 F1225 | K1092-I1156 HydrophobicContact CB-CD1 4.1Å; K1092-I1156 HydrophobicContact CB-CG1 4.13Å; K1092-I1156 PolarHBondContact O-N 3.26Å; I1156-I1160 HydrophobicContact CB-CD1 4.38Å; I1156-I1160 HydrophobicContact CG2-CD1 3.73Å; I1156-I1160 HydrophobicContact CG2-CG1 4.37Å; I1156-V1222 HydrophobicContact CG2-CG1 4.26Å; I1156-V1222 HydrophobicContact CG2-CG2 4.35Å; I1156-F1225 WeakPolarHBondContact O-CB 3.32Å | ||
| 1157 | G | 69.4 | Low | 82.8 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 85 | -135.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | C1093 H1094 S1155 | C1093-G1157 CarbonylContact C-O 3.53Å; C1093-G1157 VanDerWaalsContact CA-O 3.28Å; C1093-G1157 WeakPolarHBondContact CA-O 3.3Å; H1094-G1157 PolarHBondContact N-O 3.08Å; H1094-G1157 PolarHBondContact ND1-O 3.23Å; S1155-G1157 VanDerWaalsContact C-N 3.33Å; S1155-G1157 PolarHBondContact OG-N 2.99Å; S1155-G1157 VanDerWaalsContact OG-N 3.13Å |
| 1158 | G | 83 | Confident | 83.2 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | -156.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | H1094 I1160 | H1094-G1158 PolarHBondContact N-O 2.78Å; H1094-G1158 WeakPolarHBondContact ND1-CA 3.17Å; G1158-I1160 PolarHBondContact O-N 3.33Å |
| 1159 | I | 90.1 | Very high | 84 | Confident | 67 Ų | 67 | 49.8 Ų | 49.8 | 34% | 0.344 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.8 | 173.4 | -62.1 | 173.8 | 0 | 0 | 0 | 108.3 | H1094 G1095 V1102 H1161 | H1094-I1159 HydrophobicContact CB-CG1 4.35Å; G1095-I1159 WeakPolarHBondContact O-CA 3.49Å; V1102-I1159 HydrophobicContact CG1-CD1 4.27Å; V1102-I1159 HydrophobicContact CG1-CG2 4.29Å; V1102-I1159 HydrophobicContact CG2-CD1 4.45Å; V1102-I1159 HydrophobicContact CG2-CG2 4.37Å; I1159-H1161 PolarHBondContact O-CD2 3.36Å |
| 1160 | I | 91.4 | Very high | 84.8 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 117.9 | 178.1 | -60.7 | 174 | 0 | 0 | 0 | 108.7 | I1089 C1093 G1095 L1096 S1097 L1145 I1156 G1158 I1165 Y1221 | I1089-I1160 HydrophobicContact CG2-CD1 4.22Å; C1093-I1160 HydrophobicContact CB-CD1 3.76Å; C1093-I1160 HydrophobicContact CB-CG1 4.06Å; G1095-I1160 PolarHBondContact O-N 3.22Å; L1096-I1160 HydrophobicContact CD1-CB 4.06Å; L1096-I1160 HydrophobicContact CD1-CG2 4.11Å; S1097-I1160 PolarHBondContact N-O 3.05Å; L1145-I1160 HydrophobicContact CD1-CD1 4.45Å; L1145-I1160 HydrophobicContact CD2-CD1 4.12Å; L1145-I1160 HydrophobicContact CD2-CG2 3.8Å; I1156-I1160 HydrophobicContact CB-CD1 4.38Å; I1156-I1160 HydrophobicContact CG2-CD1 3.73Å; I1156-I1160 HydrophobicContact CG2-CG1 4.37Å; G1158-I1160 PolarHBondContact O-N 3.33Å; I1160-I1165 HydrophobicContact CG2-CD1 3.96Å; I1160-Y1221 HydrophobicContact CG2-CE1 3.96Å |
| 1161 | H | 92.8 | Very high | 85.5 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 26% | 0.255 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 102.6 | 177.1 | -64 | -83.8 | 0 | 0 | 0 | 110.6 | S1097 I1159 E1163 R1164 Y1221 | S1097-H1161 WeakPolarHBondContact CB-ND1 3.28Å; S1097-H1161 PolarHBondContact OG-ND1 3.11Å; I1159-H1161 PolarHBondContact O-CD2 3.36Å; H1161-E1163 VanDerWaalsContact C-N 3.29Å; H1161-E1163 PolarHBondContact O-N 3.1Å; H1161-R1164 HydrophobicContact CB-CB 4.27Å; H1161-R1164 HydrophobicContact CB-CG 3.84Å; H1161-R1164 PolarHBondContact O-N 3.35Å; H1161-Y1221 PolarHBondContact N-OH 3Å; H1161-Y1221 VanDerWaalsContact N-OH 3.14Å |
| 1162 | V | 93.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -38.3 | -174.5 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | L1096 S1097 I1098 L1138 T1141 V1142 R1164 I1165 L1166 | L1096-V1162 HydrophobicContact CD1-CG2 3.44Å; L1096-V1162 VanDerWaalsContact CD1-CG2 3.44Å; L1096-V1162 HydrophobicContact CD2-CG2 4.39Å; L1096-V1162 HydrophobicContact CG-CG2 3.83Å; S1097-V1162 PolarHBondContact O-N 3.1Å; I1098-V1162 HydrophobicContact CG1-CB 4.25Å; I1098-V1162 HydrophobicContact CG1-CG2 3.89Å; L1138-V1162 HydrophobicContact CB-CG1 4.43Å; L1138-V1162 HydrophobicContact CD2-CB 4.31Å; L1138-V1162 HydrophobicContact CD2-CG1 3.7Å; T1141-V1162 HydrophobicContact CG2-CG1 3.74Å; V1142-V1162 HydrophobicContact CG2-CG1 3.86Å; V1142-V1162 HydrophobicContact CG2-CG2 3.93Å; V1162-R1164 VanDerWaalsContact C-N 3.31Å; V1162-R1164 PolarHBondContact O-N 3.45Å; V1162-I1165 WeakPolarHBondContact O-CB 3.28Å; V1162-I1165 PolarHBondContact O-N 3.17Å; V1162-I1165 VanDerWaalsContact O-N 3.17Å; V1162-L1166 PolarHBondContact O-N 3.38Å |
| 1163 | E | 92.6 | Very high | 87.5 | Confident | 43 Ų | 43 | 41.9 Ų | 41.9 | 20% | 0.201 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -37.7 | -179.8 | -57.7 | -179.7 | 137.8 | 0 | 0 | 112.4 | D1099 L1138 H1161 I1165 L1166 H1167 | D1099-E1163 WeakPolarHBondContact CA-OE1 3.43Å; D1099-E1163 WeakPolarHBondContact CB-OE1 3.49Å; D1099-E1163 VanDerWaalsContact N-CD 3.33Å; D1099-E1163 PolarHBondContact N-OE1 3.33Å; D1099-E1163 VanDerWaalsContact N-OE1 3.08Å; L1138-E1163 HydrophobicContact CD2-CG 4.06Å; H1161-E1163 VanDerWaalsContact C-N 3.29Å; H1161-E1163 PolarHBondContact O-N 3.1Å; E1163-I1165 VanDerWaalsContact C-N 3.28Å; E1163-I1165 PolarHBondContact O-N 3.42Å; E1163-L1166 PolarHBondContact O-N 2.95Å; E1163-H1167 WeakPolarHBondContact O-CB 3.49Å; E1163-H1167 PolarHBondContact O-CD2 2.91Å; E1163-H1167 PolarHBondContact O-N 2.96Å |
| 1164 | R | 92.4 | Very high | 88.4 | Confident | 157 Ų | 157 | 40.3 Ų | 40.3 | 59% | 0.592 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64 | -38.3 | 178.2 | -64.7 | -170.5 | -167.5 | -166.3 | 5.4 | 111.3 | H1161 V1162 L1168 Y1221 | H1161-R1164 HydrophobicContact CB-CB 4.27Å; H1161-R1164 HydrophobicContact CB-CG 3.84Å; H1161-R1164 PolarHBondContact O-N 3.35Å; V1162-R1164 VanDerWaalsContact C-N 3.31Å; V1162-R1164 PolarHBondContact O-N 3.45Å; R1164-L1168 WeakPolarHBondContact O-CB 3.47Å; R1164-L1168 PolarHBondContact O-N 2.86Å; R1164-Y1221 HydrophobicContact CB-CE2 3.96Å |
| 1165 | I | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 175.3 | -58.9 | 174 | 0 | 0 | 0 | 109.8 | T1141 I1160 V1162 E1163 L1168 A1169 A1217 V1218 Y1221 | T1141-I1165 HydrophobicContact CG2-CB 3.88Å; T1141-I1165 HydrophobicContact CG2-CG2 3.6Å; I1160-I1165 HydrophobicContact CG2-CD1 3.96Å; V1162-I1165 WeakPolarHBondContact O-CB 3.28Å; V1162-I1165 PolarHBondContact O-N 3.17Å; V1162-I1165 VanDerWaalsContact O-N 3.17Å; E1163-I1165 VanDerWaalsContact C-N 3.28Å; E1163-I1165 PolarHBondContact O-N 3.42Å; I1165-L1168 PolarHBondContact O-N 2.83Å; I1165-A1169 PolarHBondContact O-N 3.2Å; I1165-A1217 HydrophobicContact CG2-CB 3.97Å; I1165-A1217 WeakPolarHBondContact O-CB 3.03Å; I1165-V1218 HydrophobicContact CD1-CG2 4.47Å; I1165-V1218 HydrophobicContact CG2-CB 4.42Å; I1165-V1218 HydrophobicContact CG2-CG2 3.53Å; I1165-Y1221 HydrophobicContact CD1-CD1 3.81Å; I1165-Y1221 HydrophobicContact CD1-CE1 4.19Å; I1165-Y1221 HydrophobicContact CD1-CG 4.1Å; I1165-Y1221 HydrophobicContact CG1-CD1 3.82Å; I1165-Y1221 HydrophobicContact CG1-CD2 3.85Å; I1165-Y1221 HydrophobicContact CG1-CE1 4.25Å; I1165-Y1221 HydrophobicContact CG1-CE2 4.28Å; I1165-Y1221 HydrophobicContact CG1-CG 3.6Å |
| 1166 | L | 95 | Very high | 90 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 178.7 | 178 | 56.7 | 0 | 0 | 0 | 112.1 | Y1134 L1137 L1138 V1162 E1163 A1169 N1170 I1195 F1199 L1214 | Y1134-L1166 HydrophobicContact CD2-CD2 3.87Å; Y1134-L1166 HydrophobicContact CE2-CD2 3.36Å; Y1134-L1166 HydrophobicContact CE2-CG 4.36Å; L1137-L1166 HydrophobicContact CB-CD1 3.86Å; L1137-L1166 HydrophobicContact CB-CD2 3.83Å; L1137-L1166 HydrophobicContact CD1-CD1 4.2Å; L1138-L1166 HydrophobicContact CD2-CB 4.44Å; L1138-L1166 HydrophobicContact CD2-CD2 3.73Å; L1138-L1166 HydrophobicContact CG-CD2 4.02Å; V1162-L1166 PolarHBondContact O-N 3.38Å; E1163-L1166 PolarHBondContact O-N 2.95Å; L1166-A1169 WeakPolarHBondContact O-CB 3.31Å; L1166-A1169 PolarHBondContact O-N 3.32Å; L1166-N1170 WeakPolarHBondContact O-CB 3.4Å; L1166-N1170 PolarHBondContact O-N 3.41Å; L1166-I1195 HydrophobicContact CD2-CD1 4.49Å; L1166-I1195 HydrophobicContact CG-CD1 4.08Å; L1166-F1199 HydrophobicContact CD1-CE1 4.03Å; L1166-L1214 HydrophobicContact CD1-CD2 3.9Å |
| 1167 | H | 94.9 | Very high | 90.6 | Very high | 63 Ų | 63 | 37.4 Ų | 37.4 | 29% | 0.292 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.2 | -80.8 | -69 | 0 | 0 | 0 | 112.5 | E1163 A1169 N1170 D1171 T1193 | E1163-H1167 WeakPolarHBondContact O-CB 3.49Å; E1163-H1167 PolarHBondContact O-CD2 2.91Å; E1163-H1167 PolarHBondContact O-N 2.96Å; H1167-A1169 VanDerWaalsContact C-N 3.32Å; H1167-A1169 PolarHBondContact O-N 3.03Å; H1167-N1170 WeakPolarHBondContact O-CB 3.24Å; H1167-N1170 PolarHBondContact O-N 3.44Å; H1167-D1171 PolarHBondContact O-N 2.85Å; H1167-T1193 PolarHBondContact CE1-O 3.1Å |
| 1168 | L | 94.4 | Very high | 91.4 | Very high | 55 Ų | 55 | 42.6 Ų | 42.6 | 29% | 0.288 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 174.3 | 179.3 | 62.4 | 0 | 0 | 0 | 111.3 | R1164 I1165 D1171 L1172 A1217 T1220 | R1164-L1168 WeakPolarHBondContact O-CB 3.47Å; R1164-L1168 PolarHBondContact O-N 2.86Å; I1165-L1168 PolarHBondContact O-N 2.83Å; L1168-D1171 PolarHBondContact O-N 2.89Å; L1168-L1172 HydrophobicContact CG-CD1 4.49Å; L1168-L1172 VanDerWaalsContact O-CG 3.29Å; L1168-L1172 WeakPolarHBondContact O-CG 3.29Å; L1168-L1172 PolarHBondContact O-N 3.12Å; L1168-A1217 HydrophobicContact CB-CB 4.05Å; L1168-A1217 HydrophobicContact CD2-CB 3.95Å; L1168-A1217 HydrophobicContact CG-CB 3.9Å; L1168-T1220 HydrophobicContact CD2-CG2 4.1Å |
| 1169 | A | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1165 L1166 H1167 D1171 L1172 F1173 F1199 L1214 A1217 | I1165-A1169 PolarHBondContact O-N 3.2Å; L1166-A1169 WeakPolarHBondContact O-CB 3.31Å; L1166-A1169 PolarHBondContact O-N 3.32Å; H1167-A1169 VanDerWaalsContact C-N 3.32Å; H1167-A1169 PolarHBondContact O-N 3.03Å; A1169-D1171 VanDerWaalsContact C-N 3.35Å; A1169-D1171 PolarHBondContact O-N 3.03Å; A1169-L1172 PolarHBondContact O-N 3.34Å; A1169-F1173 WeakPolarHBondContact O-CB 3.44Å; A1169-F1173 PolarHBondContact O-N 2.87Å; A1169-F1199 HydrophobicContact CB-CZ 4.42Å; A1169-L1214 HydrophobicContact CB-CD2 3.73Å; A1169-L1214 HydrophobicContact CB-CG 4.32Å; A1169-A1217 HydrophobicContact CB-CB 3.77Å |
| 1170 | N | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62 | -40.2 | 175.7 | 173.3 | 79.5 | 0 | 0 | 0 | 112.1 | L1166 H1167 F1173 L1174 I1195 C1196 F1199 | L1166-N1170 WeakPolarHBondContact O-CB 3.4Å; L1166-N1170 PolarHBondContact O-N 3.41Å; H1167-N1170 WeakPolarHBondContact O-CB 3.24Å; H1167-N1170 PolarHBondContact O-N 3.44Å; N1170-F1173 WeakPolarHBondContact O-CB 3.37Å; N1170-F1173 PolarHBondContact O-N 2.98Å; N1170-L1174 WeakPolarHBondContact ND2-CD1 3.33Å; N1170-L1174 WeakPolarHBondContact O-CB 3.34Å; N1170-L1174 VanDerWaalsContact O-CG 3.28Å; N1170-L1174 WeakPolarHBondContact O-CG 3.48Å; N1170-L1174 PolarHBondContact O-N 3.18Å; N1170-I1195 HydrophobicContact CB-CD1 3.85Å; N1170-C1196 VanDerWaalsContact OD1-CB 3.3Å; N1170-C1196 WeakPolarHBondContact OD1-CB 3.32Å; N1170-C1196 PolarHBondContact OD1-N 3.45Å; N1170-F1199 HydrophobicContact CB-CD1 4.48Å |
| 1171 | D | 93.7 | Very high | 90.5 | Very high | 69 Ų | 69 | 51.7 Ų | 51.7 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | 177.6 | -71.3 | -21.3 | 0 | 0 | 0 | 111.9 | H1167 L1168 A1169 F1173 L1174 N1175 K1189 | H1167-D1171 PolarHBondContact O-N 2.85Å; L1168-D1171 PolarHBondContact O-N 2.89Å; A1169-D1171 VanDerWaalsContact C-N 3.35Å; A1169-D1171 PolarHBondContact O-N 3.03Å; D1171-F1173 VanDerWaalsContact C-N 3.33Å; D1171-F1173 PolarHBondContact O-N 3.32Å; D1171-L1174 PolarHBondContact O-N 2.72Å; D1171-N1175 WeakPolarHBondContact O-CB 3.29Å; D1171-N1175 PolarHBondContact O-N 3.27Å; D1171-N1175 PolarHBondContact O-ND2 3.28Å; D1171-K1189 IonicContact OD1-NZ 3.48Å |
| 1172 | L | 92 | Very high | 89.5 | Confident | 52 Ų | 52 | 50.4 Ų | 50.4 | 27% | 0.272 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 171.4 | -69.8 | 172.3 | 0 | 0 | 0 | 111.4 | L1168 A1169 N1175 D1176 Y1213 K1216 | L1168-L1172 HydrophobicContact CG-CD1 4.49Å; L1168-L1172 VanDerWaalsContact O-CG 3.29Å; L1168-L1172 WeakPolarHBondContact O-CG 3.29Å; L1168-L1172 PolarHBondContact O-N 3.12Å; A1169-L1172 PolarHBondContact O-N 3.34Å; L1172-N1175 PolarHBondContact O-N 3.48Å; L1172-D1176 PolarHBondContact O-N 3.41Å; L1172-D1176 VanDerWaalsContact O-N 3.11Å; L1172-Y1213 HydrophobicContact CB-CD1 3.77Å; L1172-Y1213 HydrophobicContact CB-CE1 4.36Å; L1172-K1216 HydrophobicContact CD1-CB 3.91Å |
| 1173 | F | 91.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 175.9 | 177 | -95.9 | 0 | 0 | 0 | 111.7 | A1169 N1170 D1171 N1175 D1176 Q1177 F1198 F1199 S1202 Y1213 | A1169-F1173 WeakPolarHBondContact O-CB 3.44Å; A1169-F1173 PolarHBondContact O-N 2.87Å; N1170-F1173 WeakPolarHBondContact O-CB 3.37Å; N1170-F1173 PolarHBondContact O-N 2.98Å; D1171-F1173 VanDerWaalsContact C-N 3.33Å; D1171-F1173 PolarHBondContact O-N 3.32Å; F1173-N1175 VanDerWaalsContact C-N 3.31Å; F1173-N1175 PolarHBondContact O-N 3.18Å; F1173-D1176 PolarHBondContact O-N 3.16Å; F1173-Q1177 HydrophobicContact CD1-CG 3.95Å; F1173-Q1177 HydrophobicContact CD2-CG 4.4Å; F1173-Q1177 HydrophobicContact CE1-CG 3.57Å; F1173-Q1177 HydrophobicContact CE2-CG 4.08Å; F1173-Q1177 HydrophobicContact CG-CG 4.36Å; F1173-Q1177 HydrophobicContact CZ-CG 3.65Å; F1173-Q1177 WeakPolarHBondContact O-CG 3.33Å; F1173-Q1177 PolarHBondContact O-N 2.95Å; F1173-F1198 HydrophobicContact CE1-CB 4.49Å; F1173-F1198 AromaticContact CE1-CD1 3.9Å; F1173-F1198 HydrophobicContact CE1-CD1 3.9Å; F1173-F1198 AromaticContact CZ-CD1 3.57Å; F1173-F1198 HydrophobicContact CZ-CD1 3.57Å; F1173-F1198 HydrophobicContact CZ-CE1 4Å; F1173-F1198 HydrophobicContact CZ-CG 4.37Å; F1173-F1199 HydrophobicContact CB-CD2 3.81Å; F1173-F1199 HydrophobicContact CB-CE2 3.89Å; F1173-F1199 HydrophobicContact CD1-CB 4.02Å; F1173-F1199 AromaticContact CD1-CD2 3.68Å; F1173-F1199 HydrophobicContact CD1-CD2 3.68Å; F1173-F1199 HydrophobicContact CD1-CG 4.24Å; F1173-F1199 AromaticContact CD2-CD2 3.64Å; F1173-F1199 HydrophobicContact CD2-CD2 3.64Å; F1173-F1199 AromaticContact CD2-CE2 3.98Å; F1173-F1199 HydrophobicContact CD2-CE2 3.98Å; F1173-F1199 HydrophobicContact CE1-CB 4.03Å; F1173-F1199 HydrophobicContact CE1-CD2 4.1Å; F1173-F1199 HydrophobicContact CE2-CD2 4.06Å; F1173-F1199 AromaticContact CG-CD2 3.43Å; F1173-F1199 HydrophobicContact CG-CD2 3.43Å; F1173-F1199 VanDerWaalsContact CG-CD2 3.43Å; F1173-F1199 AromaticContact CG-CE2 3.92Å; F1173-F1199 HydrophobicContact CG-CE2 3.92Å; F1173-F1199 HydrophobicContact CG-CG 4.37Å; F1173-F1199 HydrophobicContact CZ-CD2 4.27Å; F1173-S1202 WeakPolarHBondContact CZ-OG 3.23Å; F1173-Y1213 HydrophobicContact CB-CD1 4.13Å; F1173-Y1213 HydrophobicContact CB-CD2 4.19Å; F1173-Y1213 HydrophobicContact CB-CE1 4.28Å; F1173-Y1213 HydrophobicContact CB-CE2 4.35Å; F1173-Y1213 HydrophobicContact CB-CG 4.08Å; F1173-Y1213 AromaticContact CD2-CD2 3.8Å; F1173-Y1213 HydrophobicContact CD2-CD2 3.8Å; F1173-Y1213 AromaticContact CD2-CE2 3.5Å; F1173-Y1213 HydrophobicContact CD2-CE2 3.5Å; F1173-Y1213 AromaticContact CD2-CZ 4Å; F1173-Y1213 HydrophobicContact CE2-CE2 4.32Å; F1173-Y1213 HydrophobicContact CG-CE2 4.41Å |
| 1174 | L | 88.9 | Confident | 87.6 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 178.7 | -77.7 | 170.2 | 0 | 0 | 0 | 112.3 | N1170 D1171 Q1177 K1178 L1187 C1196 | N1170-L1174 WeakPolarHBondContact ND2-CD1 3.33Å; N1170-L1174 WeakPolarHBondContact O-CB 3.34Å; N1170-L1174 VanDerWaalsContact O-CG 3.28Å; N1170-L1174 WeakPolarHBondContact O-CG 3.48Å; N1170-L1174 PolarHBondContact O-N 3.18Å; D1171-L1174 PolarHBondContact O-N 2.72Å; L1174-Q1177 PolarHBondContact O-N 3.26Å; L1174-K1178 WeakPolarHBondContact O-CB 3.33Å; L1174-K1178 VanDerWaalsContact O-CG 3.25Å; L1174-K1178 WeakPolarHBondContact O-CG 3.41Å; L1174-K1178 PolarHBondContact O-N 3.16Å; L1174-L1187 HydrophobicContact CD2-CB 4.29Å; L1174-L1187 HydrophobicContact CD2-CD2 3.71Å; L1174-C1196 HydrophobicContact CD2-CB 3.77Å; L1174-C1196 HydrophobicContact CG-CB 4.2Å |
| 1175 | N | 88.9 | Confident | 86.5 | Confident | 95 Ų | 95 | 56 Ų | 56 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 177.5 | -71 | -26 | 0 | 0 | 0 | 111.6 | D1171 L1172 F1173 K1178 S1179 | D1171-N1175 WeakPolarHBondContact O-CB 3.29Å; D1171-N1175 PolarHBondContact O-N 3.27Å; D1171-N1175 PolarHBondContact O-ND2 3.28Å; L1172-N1175 PolarHBondContact O-N 3.48Å; F1173-N1175 VanDerWaalsContact C-N 3.31Å; F1173-N1175 PolarHBondContact O-N 3.18Å; N1175-K1178 PolarHBondContact O-N 3.07Å; N1175-S1179 PolarHBondContact O-N 3.01Å |
| 1176 | D | 88.4 | Confident | 85.2 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 175.4 | -81.4 | 3.9 | 0 | 0 | 0 | 111.2 | L1172 F1173 K1178 S1179 L1180 Y1213 | L1172-D1176 PolarHBondContact O-N 3.41Å; L1172-D1176 VanDerWaalsContact O-N 3.11Å; F1173-D1176 PolarHBondContact O-N 3.16Å; D1176-K1178 PolarHBondContact O-N 2.69Å; D1176-S1179 WeakPolarHBondContact O-CB 3.47Å; D1176-S1179 PolarHBondContact O-N 2.73Å; D1176-S1179 VanDerWaalsContact O-N 3.16Å; D1176-S1179 PolarHBondContact O-OG 2.64Å; D1176-L1180 WeakPolarHBondContact O-CG 3.39Å; D1176-L1180 PolarHBondContact O-N 2.9Å; D1176-L1180 VanDerWaalsContact O-N 3.14Å; D1176-Y1213 HydrophobicContact CB-CE1 4.24Å; D1176-Y1213 WeakPolarHBondContact CB-OH 3.28Å; D1176-Y1213 WeakPolarHBondContact OD2-CE1 3.45Å; D1176-Y1213 VanDerWaalsContact OD2-CZ 3.3Å; D1176-Y1213 PolarHBondContact OD2-OH 2.93Å |
| 1177 | Q | 86 | Confident | 84.4 | Confident | 19 Ų | 19 | 60 Ų | 60 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 178.6 | -66.8 | -54.3 | -42.5 | 0 | 0 | 112.8 | F1173 L1174 S1179 L1180 S1181 A1182 L1187 F1198 | F1173-Q1177 HydrophobicContact CD1-CG 3.95Å; F1173-Q1177 HydrophobicContact CD2-CG 4.4Å; F1173-Q1177 HydrophobicContact CE1-CG 3.57Å; F1173-Q1177 HydrophobicContact CE2-CG 4.08Å; F1173-Q1177 HydrophobicContact CG-CG 4.36Å; F1173-Q1177 HydrophobicContact CZ-CG 3.65Å; F1173-Q1177 WeakPolarHBondContact O-CG 3.33Å; F1173-Q1177 PolarHBondContact O-N 2.95Å; L1174-Q1177 PolarHBondContact O-N 3.26Å; Q1177-S1179 VanDerWaalsContact C-N 3.33Å; Q1177-L1180 CarbonylContact O-C 3.56Å; Q1177-L1180 PolarHBondContact O-N 3.15Å; Q1177-S1181 PolarHBondContact O-N 3.29Å; Q1177-A1182 HydrophobicContact CB-CB 4.17Å; Q1177-A1182 WeakPolarHBondContact O-CB 3.44Å; Q1177-A1182 PolarHBondContact O-N 3.46Å; Q1177-A1182 VanDerWaalsContact O-N 3.17Å; Q1177-L1187 HydrophobicContact CB-CD2 3.76Å; Q1177-F1198 HydrophobicContact CG-CD1 4.47Å |
| 1178 | K | 85.1 | Confident | 83.8 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -62.9 | -39.8 | 172.5 | -75.6 | 174 | -178.7 | 179.7 | 0 | 111.8 | L1174 N1175 D1176 L1180 S1181 L1187 | L1174-K1178 WeakPolarHBondContact O-CB 3.33Å; L1174-K1178 VanDerWaalsContact O-CG 3.25Å; L1174-K1178 WeakPolarHBondContact O-CG 3.41Å; L1174-K1178 PolarHBondContact O-N 3.16Å; N1175-K1178 PolarHBondContact O-N 3.07Å; D1176-K1178 PolarHBondContact O-N 2.69Å; K1178-L1180 PolarHBondContact O-N 3.41Å; K1178-S1181 PolarHBondContact O-N 3.2Å; K1178-S1181 VanDerWaalsContact O-N 3.13Å; K1178-L1187 HydrophobicContact CG-CD1 3.7Å |
| 1179 | S | 84.1 | Confident | 83.3 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 62% | 0.622 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.1 | -27.1 | 176.8 | 81.5 | 0 | 0 | 0 | 0 | 112.7 | N1175 D1176 Q1177 S1181 | N1175-S1179 PolarHBondContact O-N 3.01Å; D1176-S1179 WeakPolarHBondContact O-CB 3.47Å; D1176-S1179 PolarHBondContact O-N 2.73Å; D1176-S1179 VanDerWaalsContact O-N 3.16Å; D1176-S1179 PolarHBondContact O-OG 2.64Å; Q1177-S1179 VanDerWaalsContact C-N 3.33Å; S1179-S1181 VanDerWaalsContact C-N 3.34Å |
| 1180 | L | 82.3 | Confident | 82.7 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 45% | 0.45 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 9.1 | 176.8 | -65.2 | 169.6 | 0 | 0 | 0 | 114 | D1176 Q1177 K1178 A1182 Y1208 | D1176-L1180 WeakPolarHBondContact O-CG 3.39Å; D1176-L1180 PolarHBondContact O-N 2.9Å; D1176-L1180 VanDerWaalsContact O-N 3.14Å; Q1177-L1180 CarbonylContact O-C 3.56Å; Q1177-L1180 PolarHBondContact O-N 3.15Å; K1178-L1180 PolarHBondContact O-N 3.41Å; L1180-A1182 PolarHBondContact O-N 3.42Å; L1180-Y1208 HydrophobicContact CD1-CD1 4.29Å; L1180-Y1208 HydrophobicContact CD1-CE1 3.55Å |
| 1181 | S | 78.5 | Confident | 82 | Confident | 110 Ų | 110 | 72.2 Ų | 72.2 | 77% | 0.769 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 35 | 179.9 | -49.5 | 0 | 0 | 0 | 0 | 114.7 | Q1177 K1178 S1179 | Q1177-S1181 PolarHBondContact O-N 3.29Å; K1178-S1181 PolarHBondContact O-N 3.2Å; K1178-S1181 VanDerWaalsContact O-N 3.13Å; S1179-S1181 VanDerWaalsContact C-N 3.34Å |
| 1182 | A | 73.5 | Confident | 81.4 | Confident | 29 Ų | 29 | 72.1 Ų | 72.1 | 24% | 0.24 | 40% | 0.401 | C | S | . | . | trans | -62.6 | 142 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1177 L1180 L1187 | Q1177-A1182 HydrophobicContact CB-CB 4.17Å; Q1177-A1182 WeakPolarHBondContact O-CB 3.44Å; Q1177-A1182 PolarHBondContact O-N 3.46Å; Q1177-A1182 VanDerWaalsContact O-N 3.17Å; L1180-A1182 PolarHBondContact O-N 3.42Å; A1182-L1187 HydrophobicContact CB-CD2 4.47Å | ||
| 1183 | S | 73.6 | Confident | 81.2 | Confident | 68 Ų | 68 | 70.2 Ų | 70.2 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | trans | -65.5 | 144 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | Y1185 F1186 | S1183-Y1185 PolarHBondContact O-N 2.53Å; S1183-Y1185 PolarHBondContact OG-N 3.37Å; S1183-F1186 PolarHBondContact O-N 2.84Å | ||
| 1184 | D | 71.8 | Confident | 81 | Confident | 142 Ų | 142 | 71.4 Ų | 71.4 | 76% | 0.759 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -27.3 | 176.5 | -70.7 | -32.1 | 0 | 0 | 0 | 113.3 | F1186 L1187 E1188 | D1184-F1186 VanDerWaalsContact C-N 3.35Å; D1184-F1186 PolarHBondContact O-N 3.15Å; D1184-L1187 PolarHBondContact O-N 3.34Å; D1184-E1188 PolarHBondContact O-N 3.44Å |
| 1185 | Y | 69.6 | Low | 81.1 | Confident | 107 Ų | 107 | 71 Ų | 71 | 42% | 0.42 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -40.6 | 174.1 | 175.7 | -103.1 | 0 | 0 | 0 | 113 | I715 S1183 L1187 | I715-Y1185 WeakPolarHBondContact CG2-OH 3.27Å; S1183-Y1185 PolarHBondContact O-N 2.53Å; S1183-Y1185 PolarHBondContact OG-N 3.37Å; Y1185-L1187 VanDerWaalsContact C-N 3.28Å; Y1185-L1187 PolarHBondContact O-N 3.47Å |
| 1186 | F | 66.9 | Low | 81.2 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -15.8 | 178.8 | -65.5 | -75 | 0 | 0 | 0 | 112.8 | S1183 D1184 C1196 F1198 | S1183-F1186 PolarHBondContact O-N 2.84Å; D1184-F1186 VanDerWaalsContact C-N 3.35Å; D1184-F1186 PolarHBondContact O-N 3.15Å; F1186-C1196 PolarHBondContact O-SG 3.15Å; F1186-F1198 HydrophobicContact CB-CB 4.41Å; F1186-F1198 HydrophobicContact CB-CG 4.47Å; F1186-F1198 HydrophobicContact CD1-CD2 4.38Å; F1186-F1198 WeakPolarHBondContact O-CB 3.28Å |
| 1187 | L | 77.1 | Confident | 81 | Confident | 20 Ų | 20 | 67 Ų | 67 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 8.4 | -177.9 | -57.1 | 177.2 | 0 | 0 | 0 | 112.8 | L1174 Q1177 K1178 A1182 D1184 Y1185 K1189 | L1174-L1187 HydrophobicContact CD2-CB 4.29Å; L1174-L1187 HydrophobicContact CD2-CD2 3.71Å; Q1177-L1187 HydrophobicContact CB-CD2 3.76Å; K1178-L1187 HydrophobicContact CG-CD1 3.7Å; A1182-L1187 HydrophobicContact CB-CD2 4.47Å; D1184-L1187 PolarHBondContact O-N 3.34Å; Y1185-L1187 VanDerWaalsContact C-N 3.28Å; Y1185-L1187 PolarHBondContact O-N 3.47Å; L1187-K1189 PolarHBondContact O-N 2.64Å |
| 1188 | E | 82.3 | Confident | 81.1 | Confident | 114 Ų | 114 | 68 Ų | 68 | 53% | 0.533 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 131 | 174.9 | -170.3 | 174.7 | -160.9 | 0 | 0 | 110.4 | D1184 N1197 | D1184-E1188 PolarHBondContact O-N 3.44Å; E1188-N1197 PolarHBondContact O-N 2.71Å |
| 1189 | K | 85.1 | Confident | 81.3 | Confident | 98 Ų | 98 | 61.9 Ų | 61.9 | 43% | 0.426 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -94.9 | 138.8 | 178.1 | -66.9 | -176 | 170.7 | -162 | 0 | 109.7 | D1171 L1187 P1191 G1194 I1195 | D1171-K1189 IonicContact OD1-NZ 3.48Å; L1187-K1189 PolarHBondContact O-N 2.64Å; K1189-P1191 WeakPolarHBondContact O-CD 3.23Å; K1189-G1194 WeakPolarHBondContact CD-O 3.48Å; K1189-I1195 WeakPolarHBondContact CA-O 3.41Å |
| 1190 | D | 82.1 | Confident | 81.5 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 122.1 | 166.9 | 170.6 | 9.4 | 0 | 0 | 0 | 109.1 | A1192 T1193 G1194 I1195 Y1200 | D1190-A1192 PolarHBondContact O-N 3.49Å; D1190-A1192 WeakPolarHBondContact OD1-CB 3.08Å; D1190-A1192 PolarHBondContact OD1-N 3.46Å; D1190-T1193 WeakPolarHBondContact CB-OG1 3.36Å; D1190-T1193 VanDerWaalsContact CG-OG1 3.26Å; D1190-T1193 PolarHBondContact O-N 3.47Å; D1190-T1193 WeakPolarHBondContact OD2-CB 3.27Å; D1190-T1193 WeakPolarHBondContact OD2-CG2 3.4Å; D1190-T1193 PolarHBondContact OD2-OG1 3.19Å; D1190-G1194 VanDerWaalsContact O-CA 3.28Å; D1190-G1194 WeakPolarHBondContact O-CA 3.27Å; D1190-G1194 PolarHBondContact O-N 3.18Å; D1190-I1195 PolarHBondContact N-O 3.01Å; D1190-Y1200 HydrophobicContact CB-CE2 4.21Å |
| 1191 | P | 80.6 | Confident | 81.7 | Confident | 134 Ų | 134 | 55 Ų | 55 | 87% | 0.87 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.6 | -179.1 | 25.8 | -35 | 0 | 0 | 0 | 113.7 | K1189 | K1189-P1191 WeakPolarHBondContact O-CD 3.23Š|
| 1192 | A | 81.6 | Confident | 82.2 | Confident | 68 Ų | 68 | 50.3 Ų | 50.3 | 56% | 0.562 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -42.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1190 | D1190-A1192 PolarHBondContact O-N 3.49Å; D1190-A1192 WeakPolarHBondContact OD1-CB 3.08Å; D1190-A1192 PolarHBondContact OD1-N 3.46Å |
| 1193 | T | 87 | Confident | 82.8 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -14.8 | -171.2 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | Q1131 Y1134 H1167 D1190 I1195 Y1200 | Q1131-T1193 HydrophobicContact CB-CG2 4.42Å; Q1131-T1193 HydrophobicContact CG-CG2 4.1Å; Y1134-T1193 HydrophobicContact CD1-CG2 4.06Å; Y1134-T1193 HydrophobicContact CD2-CG2 4.03Å; Y1134-T1193 HydrophobicContact CG-CG2 3.75Å; H1167-T1193 PolarHBondContact CE1-O 3.1Å; D1190-T1193 WeakPolarHBondContact CB-OG1 3.36Å; D1190-T1193 VanDerWaalsContact CG-OG1 3.26Å; D1190-T1193 PolarHBondContact O-N 3.47Å; D1190-T1193 WeakPolarHBondContact OD2-CB 3.27Å; D1190-T1193 WeakPolarHBondContact OD2-CG2 3.4Å; D1190-T1193 PolarHBondContact OD2-OG1 3.19Å; T1193-I1195 PolarHBondContact O-N 2.87Å; T1193-Y1200 WeakPolarHBondContact CB-OH 3.29Å; T1193-Y1200 PolarHBondContact OG1-OH 3.38Å |
| 1194 | G | 87.1 | Confident | 83.3 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | trans | 70.6 | 4.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1189 D1190 | K1189-G1194 WeakPolarHBondContact CD-O 3.48Å; D1190-G1194 VanDerWaalsContact O-CA 3.28Å; D1190-G1194 WeakPolarHBondContact O-CA 3.27Å; D1190-G1194 PolarHBondContact O-N 3.18Å | ||
| 1195 | I | 92.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -85.3 | 143.4 | 178.3 | -59 | -60.1 | 0 | 0 | 0 | 110.3 | Y1134 L1137 L1166 N1170 K1189 D1190 T1193 F1199 Y1200 | Y1134-I1195 HydrophobicContact CD2-CG1 3.84Å; Y1134-I1195 HydrophobicContact CE2-CD1 4.15Å; Y1134-I1195 HydrophobicContact CE2-CG1 3.66Å; L1137-I1195 HydrophobicContact CD1-CG2 4.15Å; L1166-I1195 HydrophobicContact CD2-CD1 4.49Å; L1166-I1195 HydrophobicContact CG-CD1 4.08Å; N1170-I1195 HydrophobicContact CB-CD1 3.85Å; K1189-I1195 WeakPolarHBondContact CA-O 3.41Å; D1190-I1195 PolarHBondContact N-O 3.01Å; T1193-I1195 PolarHBondContact O-N 2.87Å; I1195-F1199 HydrophobicContact CG2-CB 4.27Å; I1195-F1199 HydrophobicContact CG2-CD1 3.94Å; I1195-Y1200 HydrophobicContact CB-CD2 4.46Å; I1195-Y1200 HydrophobicContact CB-CE1 4.4Å; I1195-Y1200 HydrophobicContact CB-CE2 3.63Å; I1195-Y1200 WeakPolarHBondContact CB-OH 3.31Å; I1195-Y1200 HydrophobicContact CG2-CD1 4.37Å; I1195-Y1200 HydrophobicContact CG2-CD2 4.01Å; I1195-Y1200 HydrophobicContact CG2-CE1 4.01Å; I1195-Y1200 HydrophobicContact CG2-CE2 3.63Å; I1195-Y1200 HydrophobicContact CG2-CG 4.35Å | ||
| 1196 | C | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -65.7 | 129.9 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | N1170 L1174 F1186 F1198 F1199 Y1200 | N1170-C1196 VanDerWaalsContact OD1-CB 3.3Å; N1170-C1196 WeakPolarHBondContact OD1-CB 3.32Å; N1170-C1196 PolarHBondContact OD1-N 3.45Å; L1174-C1196 HydrophobicContact CD2-CB 3.77Å; L1174-C1196 HydrophobicContact CG-CB 4.2Å; F1186-C1196 PolarHBondContact O-SG 3.15Å; C1196-F1198 PolarHBondContact O-N 3.4Å; C1196-F1199 HydrophobicContact CB-CB 3.98Å; C1196-F1199 WeakPolarHBondContact O-CA 3.42Å; C1196-F1199 VanDerWaalsContact O-CB 3.29Å; C1196-F1199 WeakPolarHBondContact O-CB 3.22Å; C1196-F1199 PolarHBondContact O-N 3.12Å; C1196-Y1200 PolarHBondContact O-N 3.24Å |
| 1197 | N | 85.5 | Confident | 84.4 | Confident | 66 Ų | 66 | 41.8 Ų | 41.8 | 35% | 0.353 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.3 | -37.8 | 178.1 | -74.8 | -28.1 | 0 | 0 | 0 | 112.2 | E1188 F1199 Y1200 D1201 | E1188-N1197 PolarHBondContact O-N 2.71Å; N1197-F1199 VanDerWaalsContact C-N 3.31Å; N1197-F1199 PolarHBondContact O-N 3.02Å; N1197-Y1200 WeakPolarHBondContact O-CB 3.42Å; N1197-Y1200 PolarHBondContact O-N 2.71Å; N1197-D1201 PolarHBondContact O-N 2.99Å |
| 1198 | F | 86.9 | Confident | 84.6 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 17% | 0.171 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.3 | -25.7 | 175.9 | -169.6 | -131.9 | 0 | 0 | 0 | 113.9 | W1058 F1173 Q1177 F1186 C1196 D1201 S1202 | W1058-F1198 HydrophobicContact CH2-CE2 4.33Å; W1058-F1198 HydrophobicContact CH2-CZ 4.45Å; W1058-F1198 HydrophobicContact CZ2-CE2 4.26Å; W1058-F1198 HydrophobicContact CZ2-CZ 4.48Å; F1173-F1198 HydrophobicContact CE1-CB 4.49Å; F1173-F1198 AromaticContact CE1-CD1 3.9Å; F1173-F1198 HydrophobicContact CE1-CD1 3.9Å; F1173-F1198 AromaticContact CZ-CD1 3.57Å; F1173-F1198 HydrophobicContact CZ-CD1 3.57Å; F1173-F1198 HydrophobicContact CZ-CE1 4Å; F1173-F1198 HydrophobicContact CZ-CG 4.37Å; Q1177-F1198 HydrophobicContact CG-CD1 4.47Å; F1186-F1198 HydrophobicContact CB-CB 4.41Å; F1186-F1198 HydrophobicContact CB-CG 4.47Å; F1186-F1198 HydrophobicContact CD1-CD2 4.38Å; F1186-F1198 WeakPolarHBondContact O-CB 3.28Å; C1196-F1198 PolarHBondContact O-N 3.4Å; F1198-D1201 PolarHBondContact O-N 2.89Å; F1198-S1202 PolarHBondContact O-N 3.41Å; F1198-S1202 VanDerWaalsContact O-N 3.09Å; F1198-S1202 PolarHBondContact O-OG 3.48Å |
| 1199 | F | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70 | -38.1 | 173.4 | -166.6 | -116.4 | 0 | 0 | 0 | 111 | R1069 L1137 L1166 A1169 N1170 F1173 I1195 C1196 N1197 D1201 S1202 T1210 Y1213 | R1069-F1199 PolarHBondContact NH1-O 3.11Å; L1137-F1199 HydrophobicContact CD1-CD1 3.91Å; L1137-F1199 HydrophobicContact CD1-CE1 4.12Å; L1137-F1199 HydrophobicContact CD2-CE1 4.46Å; L1166-F1199 HydrophobicContact CD1-CE1 4.03Å; A1169-F1199 HydrophobicContact CB-CZ 4.42Å; N1170-F1199 HydrophobicContact CB-CD1 4.48Å; F1173-F1199 HydrophobicContact CB-CD2 3.81Å; F1173-F1199 HydrophobicContact CB-CE2 3.89Å; F1173-F1199 HydrophobicContact CD1-CB 4.02Å; F1173-F1199 AromaticContact CD1-CD2 3.68Å; F1173-F1199 HydrophobicContact CD1-CD2 3.68Å; F1173-F1199 HydrophobicContact CD1-CG 4.24Å; F1173-F1199 AromaticContact CD2-CD2 3.64Å; F1173-F1199 HydrophobicContact CD2-CD2 3.64Å; F1173-F1199 AromaticContact CD2-CE2 3.98Å; F1173-F1199 HydrophobicContact CD2-CE2 3.98Å; F1173-F1199 HydrophobicContact CE1-CB 4.03Å; F1173-F1199 HydrophobicContact CE1-CD2 4.1Å; F1173-F1199 HydrophobicContact CE2-CD2 4.06Å; F1173-F1199 AromaticContact CG-CD2 3.43Å; F1173-F1199 HydrophobicContact CG-CD2 3.43Å; F1173-F1199 VanDerWaalsContact CG-CD2 3.43Å; F1173-F1199 AromaticContact CG-CE2 3.92Å; F1173-F1199 HydrophobicContact CG-CE2 3.92Å; F1173-F1199 HydrophobicContact CG-CG 4.37Å; F1173-F1199 HydrophobicContact CZ-CD2 4.27Å; I1195-F1199 HydrophobicContact CG2-CB 4.27Å; I1195-F1199 HydrophobicContact CG2-CD1 3.94Å; C1196-F1199 HydrophobicContact CB-CB 3.98Å; C1196-F1199 WeakPolarHBondContact O-CA 3.42Å; C1196-F1199 VanDerWaalsContact O-CB 3.29Å; C1196-F1199 WeakPolarHBondContact O-CB 3.22Å; C1196-F1199 PolarHBondContact O-N 3.12Å; N1197-F1199 VanDerWaalsContact C-N 3.31Å; N1197-F1199 PolarHBondContact O-N 3.02Å; F1199-D1201 PolarHBondContact O-N 2.81Å; F1199-S1202 WeakPolarHBondContact O-CB 3.41Å; F1199-S1202 PolarHBondContact O-N 3.16Å; F1199-T1210 HydrophobicContact CD2-CG2 4.04Å; F1199-T1210 HydrophobicContact CE1-CG2 4.26Å; F1199-T1210 HydrophobicContact CE2-CG2 3.74Å; F1199-T1210 HydrophobicContact CG-CG2 4.44Å; F1199-T1210 HydrophobicContact CZ-CG2 3.86Å; F1199-Y1213 HydrophobicContact CE2-CD2 4.36Å |
| 1200 | Y | 87.9 | Confident | 85 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -26 | 172.8 | -73.6 | -59.4 | 0 | 0 | 0 | 114.1 | L1066 R1069 E1133 Y1134 L1137 D1190 T1193 I1195 C1196 N1197 | L1066-Y1200 WeakPolarHBondContact CA-O 3.2Å; L1066-Y1200 HydrophobicContact CD1-CG 4.34Å; L1066-Y1200 PolarHBondContact N-O 2.92Å; R1069-Y1200 VanDerWaalsContact NH1-C 3.26Å; R1069-Y1200 PolarHBondContact NH1-O 2.84Å; E1133-Y1200 HydrophobicContact CB-CD1 3.86Å; E1133-Y1200 HydrophobicContact CB-CE1 4.04Å; E1133-Y1200 HydrophobicContact CG-CD1 3.9Å; E1133-Y1200 HydrophobicContact CG-CE1 3.79Å; E1133-Y1200 HydrophobicContact CG-CE2 4.5Å; E1133-Y1200 HydrophobicContact CG-CG 4.33Å; Y1134-Y1200 HydrophobicContact CD2-CE1 4.49Å; Y1134-Y1200 VanDerWaalsContact CD2-OH 3.28Å; Y1134-Y1200 WeakPolarHBondContact CD2-OH 3.18Å; L1137-Y1200 HydrophobicContact CD1-CD1 3.48Å; L1137-Y1200 VanDerWaalsContact CD1-CD1 3.48Å; L1137-Y1200 HydrophobicContact CD1-CE1 3.44Å; L1137-Y1200 VanDerWaalsContact CD1-CE1 3.44Å; L1137-Y1200 HydrophobicContact CG-CD1 4.2Å; L1137-Y1200 HydrophobicContact CG-CE1 4.24Å; D1190-Y1200 HydrophobicContact CB-CE2 4.21Å; T1193-Y1200 WeakPolarHBondContact CB-OH 3.29Å; T1193-Y1200 PolarHBondContact OG1-OH 3.38Å; I1195-Y1200 HydrophobicContact CB-CD2 4.46Å; I1195-Y1200 HydrophobicContact CB-CE1 4.4Å; I1195-Y1200 HydrophobicContact CB-CE2 3.63Å; I1195-Y1200 WeakPolarHBondContact CB-OH 3.31Å; I1195-Y1200 HydrophobicContact CG2-CD1 4.37Å; I1195-Y1200 HydrophobicContact CG2-CD2 4.01Å; I1195-Y1200 HydrophobicContact CG2-CE1 4.01Å; I1195-Y1200 HydrophobicContact CG2-CE2 3.63Å; I1195-Y1200 HydrophobicContact CG2-CG 4.35Å; C1196-Y1200 PolarHBondContact O-N 3.24Å; N1197-Y1200 WeakPolarHBondContact O-CB 3.42Å; N1197-Y1200 PolarHBondContact O-N 2.71Å |
| 1201 | D | 86.9 | Confident | 85.3 | Confident | 27 Ų | 27 | 35.3 Ų | 35.3 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 4.1 | 178.4 | -159.1 | 40.3 | 0 | 0 | 0 | 113.6 | G1063 Q1064 W1065 L1066 N1197 F1198 F1199 | G1063-D1201 WeakPolarHBondContact CA-OD1 3.48Å; G1063-D1201 WeakPolarHBondContact CA-OD2 3.47Å; G1063-D1201 VanDerWaalsContact N-CG 3.34Å; G1063-D1201 PolarHBondContact N-OD1 2.91Å; G1063-D1201 PolarHBondContact N-OD2 2.75Å; Q1064-D1201 PolarHBondContact N-OD1 3.09Å; W1065-D1201 WeakPolarHBondContact CB-O 3.46Å; W1065-D1201 PolarHBondContact N-OD1 2.97Å; L1066-D1201 HydrophobicContact CB-CB 4.12Å; L1066-D1201 PolarHBondContact N-OD1 3.17Å; N1197-D1201 PolarHBondContact O-N 2.99Å; F1198-D1201 PolarHBondContact O-N 2.89Å; F1199-D1201 PolarHBondContact O-N 2.81Å |
| 1202 | S | 87.6 | Confident | 85.7 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 8% | 0.077 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -79 | 138.1 | 176.9 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | R1069 F1173 F1198 F1199 | R1069-S1202 PolarHBondContact NH1-O 2.8Å; R1069-S1202 PolarHBondContact NH2-O 2.95Å; F1173-S1202 WeakPolarHBondContact CZ-OG 3.23Å; F1198-S1202 PolarHBondContact O-N 3.41Å; F1198-S1202 VanDerWaalsContact O-N 3.09Å; F1198-S1202 PolarHBondContact O-OG 3.48Å; F1199-S1202 WeakPolarHBondContact O-CB 3.41Å; F1199-S1202 PolarHBondContact O-N 3.16Å |
| 1203 | A | 86.8 | Confident | 86.3 | Confident | 31 Ų | 31 | 27.3 Ų | 27.3 | 26% | 0.256 | 17% | 0.172 | S | C | . | . | trans | -60.6 | 148.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | W1065 S1205 G1209 T1210 | W1065-A1203 HydrophobicContact CD2-CB 4.38Å; W1065-A1203 HydrophobicContact CZ2-CB 3.88Å; A1203-S1205 PolarHBondContact O-N 3.31Å; A1203-G1209 CarbonylContact O-C 3.41Å; A1203-G1209 WeakPolarHBondContact O-CA 3.29Å; A1203-T1210 PolarHBondContact O-N 3.28Å | ||
| 1204 | P | 83.6 | Confident | 86.6 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.032 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -60.7 | -42.1 | 176.9 | -25.7 | 34.5 | 0 | 0 | 0 | 113.4 | W1065 T1210 M1211 | W1065-P1204 HydrophobicContact CE3-CG 4.17Å; W1065-P1204 HydrophobicContact CH2-CG 4.27Å; W1065-P1204 HydrophobicContact CZ3-CG 3.81Å; P1204-T1210 WeakPolarHBondContact CA-OG1 3.45Å; P1204-M1211 HydrophobicContact CB-CG 4.11Å; P1204-M1211 WeakPolarHBondContact O-CB 3.41Å; P1204-M1211 WeakPolarHBondContact O-CG 3.5Å; P1204-M1211 PolarHBondContact O-N 3.14Å; P1204-M1211 VanDerWaalsContact O-N 3.08Å |
| 1205 | S | 79.9 | Confident | 86.8 | Confident | 65 Ų | 65 | 26.2 Ų | 26.2 | 46% | 0.455 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -101.6 | 150.3 | -177.5 | 60.3 | 0 | 0 | 0 | 0 | 113 | A1203 | A1203-S1205 PolarHBondContact O-N 3.31Š|
| 1206 | G | 79.4 | Confident | 86.7 | Confident | 41 Ų | 41 | 31 Ų | 31 | 42% | 0.423 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 128.7 | 169.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1208 G1209 T1212 | G1206-Y1208 PolarHBondContact O-N 3.01Å; G1206-G1209 PolarHBondContact O-N 3.49Å; G1206-G1209 VanDerWaalsContact O-N 3.08Å; G1206-T1212 PolarHBondContact O-OG1 3.21Å |
| 1207 | S | 73.2 | Confident | 86.9 | Confident | 92 Ų | 92 | 31 Ų | 31 | 64% | 0.643 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29.3 | 178.6 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1208 | Y | 80.4 | Confident | 87.1 | Confident | 110 Ų | 110 | 27.9 Ų | 27.9 | 43% | 0.431 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 17 | 175.3 | -58.8 | -76.6 | 0 | 0 | 0 | 112.8 | L1180 G1206 Y1213 | L1180-Y1208 HydrophobicContact CD1-CD1 4.29Å; L1180-Y1208 HydrophobicContact CD1-CE1 3.55Å; G1206-Y1208 PolarHBondContact O-N 3.01Å; Y1208-Y1213 WeakPolarHBondContact CD1-OH 3.42Å |
| 1209 | G | 86.3 | Confident | 87 | Confident | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -79 | 157 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1203 G1206 M1211 T1212 Y1213 | A1203-G1209 CarbonylContact O-C 3.41Å; A1203-G1209 WeakPolarHBondContact O-CA 3.29Å; G1206-G1209 PolarHBondContact O-N 3.49Å; G1206-G1209 VanDerWaalsContact O-N 3.08Å; G1209-M1211 VanDerWaalsContact C-N 3.31Å; G1209-M1211 PolarHBondContact O-N 3.38Å; G1209-T1212 WeakPolarHBondContact O-CB 3.3Å; G1209-T1212 PolarHBondContact O-N 3.35Å; G1209-T1212 VanDerWaalsContact O-N 3.16Å; G1209-Y1213 WeakPolarHBondContact O-CD2 3.25Å |
| 1210 | T | 90.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | -175.2 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | R1069 L1137 E1140 F1199 A1203 P1204 T1212 Y1213 L1214 | R1069-T1210 PolarHBondContact NH2-OG1 3.38Å; L1137-T1210 HydrophobicContact CD2-CG2 4.31Å; E1140-T1210 PolarHBondContact OE2-OG1 3.44Å; F1199-T1210 HydrophobicContact CD2-CG2 4.04Å; F1199-T1210 HydrophobicContact CE1-CG2 4.26Å; F1199-T1210 HydrophobicContact CE2-CG2 3.74Å; F1199-T1210 HydrophobicContact CG-CG2 4.44Å; F1199-T1210 HydrophobicContact CZ-CG2 3.86Å; A1203-T1210 PolarHBondContact O-N 3.28Å; P1204-T1210 WeakPolarHBondContact CA-OG1 3.45Å; T1210-T1212 VanDerWaalsContact C-N 3.26Å; T1210-T1212 PolarHBondContact O-N 2.98Å; T1210-Y1213 PolarHBondContact O-N 3.12Å; T1210-L1214 VanDerWaalsContact O-CG 3.29Å; T1210-L1214 WeakPolarHBondContact O-CG 3.22Å; T1210-L1214 PolarHBondContact O-N 3.08Å |
| 1211 | M | 88.8 | Confident | 86.8 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.049 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -30.3 | -178.5 | -64.4 | -66.3 | -76.6 | 0 | 0 | 113.2 | I1005 L1008 E1140 V1144 P1204 G1209 L1214 S1215 | I1005-M1211 HydrophobicContact CG1-CE 3.97Å; L1008-M1211 HydrophobicContact CD2-CB 4.46Å; L1008-M1211 HydrophobicContact CD2-CE 3.87Å; E1140-M1211 HydrophobicContact CB-SD 4.17Å; V1144-M1211 HydrophobicContact CG2-CE 3.36Å; V1144-M1211 HydrophobicContact CG2-SD 3.82Å; P1204-M1211 HydrophobicContact CB-CG 4.11Å; P1204-M1211 WeakPolarHBondContact O-CB 3.41Å; P1204-M1211 WeakPolarHBondContact O-CG 3.5Å; P1204-M1211 PolarHBondContact O-N 3.14Å; P1204-M1211 VanDerWaalsContact O-N 3.08Å; G1209-M1211 VanDerWaalsContact C-N 3.31Å; G1209-M1211 PolarHBondContact O-N 3.38Å; M1211-L1214 HydrophobicContact SD-CD1 4.21Å; M1211-S1215 VanDerWaalsContact O-CB 3.3Å; M1211-S1215 WeakPolarHBondContact O-CB 3.22Å; M1211-S1215 PolarHBondContact O-N 3.45Å; M1211-S1215 PolarHBondContact O-OG 2.83Å |
| 1212 | T | 89.4 | Confident | 86.4 | Confident | 33 Ų | 33 | 31.2 Ų | 31.2 | 20% | 0.202 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | 177.6 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | G1206 G1209 T1210 S1215 K1216 | G1206-T1212 PolarHBondContact O-OG1 3.21Å; G1209-T1212 WeakPolarHBondContact O-CB 3.3Å; G1209-T1212 PolarHBondContact O-N 3.35Å; G1209-T1212 VanDerWaalsContact O-N 3.16Å; T1210-T1212 VanDerWaalsContact C-N 3.26Å; T1210-T1212 PolarHBondContact O-N 2.98Å; T1212-S1215 PolarHBondContact O-N 3.46Å; T1212-K1216 WeakPolarHBondContact O-CG 3.37Å; T1212-K1216 PolarHBondContact O-N 3.38Å; T1212-K1216 VanDerWaalsContact O-N 3.14Å |
| 1213 | Y | 93.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.2 | -39.5 | 178.7 | -67.9 | -78.2 | 0 | 0 | 0 | 112.3 | L1172 F1173 D1176 F1199 Y1208 G1209 T1210 S1215 K1216 A1217 | L1172-Y1213 HydrophobicContact CB-CD1 3.77Å; L1172-Y1213 HydrophobicContact CB-CE1 4.36Å; F1173-Y1213 HydrophobicContact CB-CD1 4.13Å; F1173-Y1213 HydrophobicContact CB-CD2 4.19Å; F1173-Y1213 HydrophobicContact CB-CE1 4.28Å; F1173-Y1213 HydrophobicContact CB-CE2 4.35Å; F1173-Y1213 HydrophobicContact CB-CG 4.08Å; F1173-Y1213 AromaticContact CD2-CD2 3.8Å; F1173-Y1213 HydrophobicContact CD2-CD2 3.8Å; F1173-Y1213 AromaticContact CD2-CE2 3.5Å; F1173-Y1213 HydrophobicContact CD2-CE2 3.5Å; F1173-Y1213 AromaticContact CD2-CZ 4Å; F1173-Y1213 HydrophobicContact CE2-CE2 4.32Å; F1173-Y1213 HydrophobicContact CG-CE2 4.41Å; D1176-Y1213 HydrophobicContact CB-CE1 4.24Å; D1176-Y1213 WeakPolarHBondContact CB-OH 3.28Å; D1176-Y1213 WeakPolarHBondContact OD2-CE1 3.45Å; D1176-Y1213 VanDerWaalsContact OD2-CZ 3.3Å; D1176-Y1213 PolarHBondContact OD2-OH 2.93Å; F1199-Y1213 HydrophobicContact CE2-CD2 4.36Å; Y1208-Y1213 WeakPolarHBondContact CD1-OH 3.42Å; G1209-Y1213 WeakPolarHBondContact O-CD2 3.25Å; T1210-Y1213 PolarHBondContact O-N 3.12Å; Y1213-S1215 VanDerWaalsContact C-N 3.29Å; Y1213-S1215 PolarHBondContact O-N 3.17Å; Y1213-K1216 PolarHBondContact O-N 2.73Å; Y1213-A1217 WeakPolarHBondContact O-CB 3.12Å; Y1213-A1217 PolarHBondContact O-N 3.06Å |
| 1214 | L | 93.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -42.1 | 172.7 | -70.2 | 174.6 | 0 | 0 | 0 | 111.4 | E1140 T1141 V1144 L1166 A1169 T1210 M1211 A1217 V1218 | E1140-L1214 HydrophobicContact CB-CD1 3.75Å; T1141-L1214 HydrophobicContact CG2-CD2 4.21Å; T1141-L1214 WeakPolarHBondContact OG1-CD2 3.4Å; V1144-L1214 HydrophobicContact CG2-CB 4.09Å; L1166-L1214 HydrophobicContact CD1-CD2 3.9Å; A1169-L1214 HydrophobicContact CB-CD2 3.73Å; A1169-L1214 HydrophobicContact CB-CG 4.32Å; T1210-L1214 VanDerWaalsContact O-CG 3.29Å; T1210-L1214 WeakPolarHBondContact O-CG 3.22Å; T1210-L1214 PolarHBondContact O-N 3.08Å; M1211-L1214 HydrophobicContact SD-CD1 4.21Å; L1214-A1217 PolarHBondContact O-N 3.29Å; L1214-V1218 WeakPolarHBondContact O-CB 3.46Å; L1214-V1218 VanDerWaalsContact O-CG2 3.3Å; L1214-V1218 WeakPolarHBondContact O-CG2 3.49Å; L1214-V1218 PolarHBondContact O-N 2.96Å |
| 1215 | S | 90.1 | Very high | 84 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -44.8 | 177.8 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | L1008 M1211 T1212 Y1213 A1217 V1218 V1219 | L1008-S1215 VanDerWaalsContact CD1-OG 3.24Å; L1008-S1215 WeakPolarHBondContact CD1-OG 3.25Å; L1008-S1215 WeakPolarHBondContact CD2-OG 3.23Å; M1211-S1215 VanDerWaalsContact O-CB 3.3Å; M1211-S1215 WeakPolarHBondContact O-CB 3.22Å; M1211-S1215 PolarHBondContact O-N 3.45Å; M1211-S1215 PolarHBondContact O-OG 2.83Å; T1212-S1215 PolarHBondContact O-N 3.46Å; Y1213-S1215 VanDerWaalsContact C-N 3.29Å; Y1213-S1215 PolarHBondContact O-N 3.17Å; S1215-A1217 VanDerWaalsContact C-N 3.33Å; S1215-A1217 PolarHBondContact O-N 3.47Å; S1215-V1218 PolarHBondContact O-N 3.39Å; S1215-V1219 WeakPolarHBondContact O-CG2 3.25Å; S1215-V1219 PolarHBondContact O-N 2.88Å; S1215-V1219 VanDerWaalsContact O-N 3.1Å |
| 1216 | K | 90.3 | Very high | 83.1 | Confident | 101 Ų | 101 | 45 Ų | 45 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.5 | -46.9 | 173.5 | -70.2 | 176.6 | -177 | 177.5 | 0 | 110.9 | L1172 T1212 Y1213 V1219 T1220 | L1172-K1216 HydrophobicContact CD1-CB 3.91Å; T1212-K1216 WeakPolarHBondContact O-CG 3.37Å; T1212-K1216 PolarHBondContact O-N 3.38Å; T1212-K1216 VanDerWaalsContact O-N 3.14Å; Y1213-K1216 PolarHBondContact O-N 2.73Å; K1216-V1219 PolarHBondContact O-N 3.04Å; K1216-T1220 PolarHBondContact O-N 2.97Å; K1216-T1220 PolarHBondContact O-OG1 3.13Å |
| 1217 | A | 93.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1165 L1168 A1169 Y1213 L1214 S1215 T1220 Y1221 | I1165-A1217 HydrophobicContact CG2-CB 3.97Å; I1165-A1217 WeakPolarHBondContact O-CB 3.03Å; L1168-A1217 HydrophobicContact CB-CB 4.05Å; L1168-A1217 HydrophobicContact CD2-CB 3.95Å; L1168-A1217 HydrophobicContact CG-CB 3.9Å; A1169-A1217 HydrophobicContact CB-CB 3.77Å; Y1213-A1217 WeakPolarHBondContact O-CB 3.12Å; Y1213-A1217 PolarHBondContact O-N 3.06Å; L1214-A1217 PolarHBondContact O-N 3.29Å; S1215-A1217 VanDerWaalsContact C-N 3.33Å; S1215-A1217 PolarHBondContact O-N 3.47Å; A1217-T1220 PolarHBondContact O-N 3.44Å; A1217-Y1221 VanDerWaalsContact O-CB 3.24Å; A1217-Y1221 WeakPolarHBondContact O-CB 3.22Å; A1217-Y1221 PolarHBondContact O-N 3.36Å |
| 1218 | V | 89.8 | Confident | 80.4 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 176.7 | 167.1 | 0 | 0 | 0 | 0 | 110.8 | V1144 L1145 V1148 I1165 L1214 S1215 Y1221 V1222 | V1144-V1218 HydrophobicContact CB-CG2 4.27Å; V1144-V1218 HydrophobicContact CG1-CB 4.15Å; V1144-V1218 HydrophobicContact CG1-CG2 3.81Å; L1145-V1218 HydrophobicContact CD1-CG1 4.03Å; V1148-V1218 HydrophobicContact CG2-CG1 3.57Å; I1165-V1218 HydrophobicContact CD1-CG2 4.47Å; I1165-V1218 HydrophobicContact CG2-CB 4.42Å; I1165-V1218 HydrophobicContact CG2-CG2 3.53Å; L1214-V1218 WeakPolarHBondContact O-CB 3.46Å; L1214-V1218 VanDerWaalsContact O-CG2 3.3Å; L1214-V1218 WeakPolarHBondContact O-CG2 3.49Å; L1214-V1218 PolarHBondContact O-N 2.96Å; S1215-V1218 PolarHBondContact O-N 3.39Å; V1218-Y1221 PolarHBondContact O-N 3.01Å; V1218-V1222 HydrophobicContact CG1-CG2 4.28Å; V1218-V1222 WeakPolarHBondContact O-CB 3.44Å; V1218-V1222 VanDerWaalsContact O-CG2 3.29Å; V1218-V1222 WeakPolarHBondContact O-CG2 3.18Å; V1218-V1222 PolarHBondContact O-N 3.18Å |
| 1219 | V | 86.2 | Confident | 78.5 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 24% | 0.242 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 179 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | S1215 K1216 Y1221 V1222 Q1223 | S1215-V1219 WeakPolarHBondContact O-CG2 3.25Å; S1215-V1219 PolarHBondContact O-N 2.88Å; S1215-V1219 VanDerWaalsContact O-N 3.1Å; K1216-V1219 PolarHBondContact O-N 3.04Å; V1219-Y1221 VanDerWaalsContact C-N 3.33Å; V1219-Y1221 PolarHBondContact O-N 3.22Å; V1219-V1222 PolarHBondContact O-N 3.48Å; V1219-Q1223 WeakPolarHBondContact O-CG 3.31Å; V1219-Q1223 PolarHBondContact O-N 3.08Å; V1219-Q1223 VanDerWaalsContact O-N 3.08Å |
| 1220 | T | 87.4 | Confident | 75.9 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | L1168 K1216 A1217 Q1223 | L1168-T1220 HydrophobicContact CD2-CG2 4.1Å; K1216-T1220 PolarHBondContact O-N 2.97Å; K1216-T1220 PolarHBondContact O-OG1 3.13Å; A1217-T1220 PolarHBondContact O-N 3.44Å; T1220-Q1223 PolarHBondContact O-N 3.42Å |
| 1221 | Y | 86.3 | Confident | 73.2 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 9% | 0.086 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.2 | -42.7 | -178.6 | -172.1 | -91 | 0 | 0 | 0 | 112.3 | I1160 H1161 R1164 I1165 A1217 V1218 V1219 D1224 F1225 | I1160-Y1221 HydrophobicContact CG2-CE1 3.96Å; H1161-Y1221 PolarHBondContact N-OH 3Å; H1161-Y1221 VanDerWaalsContact N-OH 3.14Å; R1164-Y1221 HydrophobicContact CB-CE2 3.96Å; I1165-Y1221 HydrophobicContact CD1-CD1 3.81Å; I1165-Y1221 HydrophobicContact CD1-CE1 4.19Å; I1165-Y1221 HydrophobicContact CD1-CG 4.1Å; I1165-Y1221 HydrophobicContact CG1-CD1 3.82Å; I1165-Y1221 HydrophobicContact CG1-CD2 3.85Å; I1165-Y1221 HydrophobicContact CG1-CE1 4.25Å; I1165-Y1221 HydrophobicContact CG1-CE2 4.28Å; I1165-Y1221 HydrophobicContact CG1-CG 3.6Å; A1217-Y1221 VanDerWaalsContact O-CB 3.24Å; A1217-Y1221 WeakPolarHBondContact O-CB 3.22Å; A1217-Y1221 PolarHBondContact O-N 3.36Å; V1218-Y1221 PolarHBondContact O-N 3.01Å; V1219-Y1221 VanDerWaalsContact C-N 3.33Å; V1219-Y1221 PolarHBondContact O-N 3.22Å; Y1221-D1224 PolarHBondContact O-N 2.82Å; Y1221-F1225 HydrophobicContact CD1-CD2 4.3Å; Y1221-F1225 AromaticContact CD1-CE2 3.8Å; Y1221-F1225 HydrophobicContact CD1-CE2 3.8Å; Y1221-F1225 HydrophobicContact CE1-CD2 4.16Å; Y1221-F1225 AromaticContact CE1-CE2 3.34Å; Y1221-F1225 HydrophobicContact CE1-CE2 3.34Å; Y1221-F1225 HydrophobicContact CE1-CZ 4.02Å; Y1221-F1225 HydrophobicContact CE2-CE2 4.36Å; Y1221-F1225 HydrophobicContact CG-CE2 4.47Å; Y1221-F1225 AromaticContact CZ-CE2 3.67Å; Y1221-F1225 WeakPolarHBondContact O-CD2 3.48Å |
| 1222 | V | 78.8 | Confident | 70.7 | Confident | 12 Ų | 12 | 68 Ų | 68 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.7 | -30.5 | -178.8 | 173 | 0 | 0 | 0 | 0 | 111.9 | L1145 V1148 I1156 V1218 V1219 D1224 F1225 L1226 | L1145-V1222 HydrophobicContact CD1-CG2 4.22Å; V1148-V1222 HydrophobicContact CG1-CG1 4.28Å; V1148-V1222 HydrophobicContact CG1-CG2 4.48Å; I1156-V1222 HydrophobicContact CG2-CG1 4.26Å; I1156-V1222 HydrophobicContact CG2-CG2 4.35Å; V1218-V1222 HydrophobicContact CG1-CG2 4.28Å; V1218-V1222 WeakPolarHBondContact O-CB 3.44Å; V1218-V1222 VanDerWaalsContact O-CG2 3.29Å; V1218-V1222 WeakPolarHBondContact O-CG2 3.18Å; V1218-V1222 PolarHBondContact O-N 3.18Å; V1219-V1222 PolarHBondContact O-N 3.48Å; V1222-D1224 PolarHBondContact O-N 2.73Å; V1222-F1225 PolarHBondContact O-N 3.17Å; V1222-L1226 HydrophobicContact CG1-CG 4.48Å; V1222-L1226 PolarHBondContact O-N 3.29Å |
| 1223 | Q | 74.8 | Confident | 67.8 | Low | 123 Ų | 123 | 74 Ų | 74 | 58% | 0.575 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -56 | -32.2 | 174.1 | -81.8 | 176.8 | -7.4 | 0 | 0 | 112.8 | V1219 T1220 F1225 | V1219-Q1223 WeakPolarHBondContact O-CG 3.31Å; V1219-Q1223 PolarHBondContact O-N 3.08Å; V1219-Q1223 VanDerWaalsContact O-N 3.08Å; T1220-Q1223 PolarHBondContact O-N 3.42Å; Q1223-F1225 PolarHBondContact O-N 2.6Å |
| 1224 | D | 68.1 | Low | 64.7 | Low | 130 Ų | 130 | 86.5 Ų | 86.5 | 70% | 0.695 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.3 | 178.6 | -66.4 | -23.2 | 0 | 0 | 0 | 113.5 | Y1221 V1222 | Y1221-D1224 PolarHBondContact O-N 2.82Å; V1222-D1224 PolarHBondContact O-N 2.73Å |
| 1225 | F | 64.5 | Low | 63.3 | Low | 72 Ų | 72 | 90.9 Ų | 90.9 | 32% | 0.316 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -11 | -178.2 | -64.3 | -87.1 | 0 | 0 | 0 | 114.4 | I1156 Y1221 V1222 Q1223 | I1156-F1225 WeakPolarHBondContact O-CB 3.32Å; Y1221-F1225 HydrophobicContact CD1-CD2 4.3Å; Y1221-F1225 AromaticContact CD1-CE2 3.8Å; Y1221-F1225 HydrophobicContact CD1-CE2 3.8Å; Y1221-F1225 HydrophobicContact CE1-CD2 4.16Å; Y1221-F1225 AromaticContact CE1-CE2 3.34Å; Y1221-F1225 HydrophobicContact CE1-CE2 3.34Å; Y1221-F1225 HydrophobicContact CE1-CZ 4.02Å; Y1221-F1225 HydrophobicContact CE2-CE2 4.36Å; Y1221-F1225 HydrophobicContact CG-CE2 4.47Å; Y1221-F1225 AromaticContact CZ-CE2 3.67Å; Y1221-F1225 WeakPolarHBondContact O-CD2 3.48Å; V1222-F1225 PolarHBondContact O-N 3.17Å; Q1223-F1225 PolarHBondContact O-N 2.6Å |
| 1226 | L | 61 | Low | 61.9 | Low | 77 Ų | 77 | 94.9 Ų | 94.9 | 40% | 0.403 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -68.9 | 136.3 | 174.2 | -71 | 170.8 | 0 | 0 | 0 | 109.4 | V1153 V1222 S1228 | V1153-L1226 HydrophobicContact CG1-CD2 4.02Å; V1222-L1226 HydrophobicContact CG1-CG 4.48Å; V1222-L1226 PolarHBondContact O-N 3.29Å; L1226-S1228 PolarHBondContact O-N 3.06Å; L1226-S1228 VanDerWaalsContact O-N 3.17Å |
| 1227 | P | 52.1 | Low | 60.3 | Low | 101 Ų | 101 | 94.6 Ų | 94.6 | 66% | 0.656 | 53% | 0.533 | S | S | * | . | trans | -58.1 | 126.2 | 179.4 | 21.8 | -30.5 | 0 | 0 | 0 | 109.5 | S1229 | P1227-S1229 PolarHBondContact O-N 2.83Š| ||
| 1228 | S | 43.8 | Very low | 58.4 | Low | 135 Ų | 135 | 100.2 Ų | 100.2 | 94% | 0.944 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -69.8 | 61.6 | 175.4 | 40.6 | 0 | 0 | 0 | 0 | 111.1 | L1226 | L1226-S1228 PolarHBondContact O-N 3.06Å; L1226-S1228 VanDerWaalsContact O-N 3.17Å |
| 1229 | S | 39.8 | Very low | 56.4 | Low | 96 Ų | 96 | 106.4 Ų | 106.4 | 67% | 0.671 | 60% | 0.599 | S | S | * | * | trans | -146.6 | 67.2 | 178.5 | 38.3 | 0 | 0 | 0 | 0 | 112.3 | P1227 | P1227-S1229 PolarHBondContact O-N 2.83Š| ||
| 1230 | S | 32.7 | Very low | 54.4 | Low | 118 Ų | 118 | 110.8 Ų | 110.8 | 83% | 0.825 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -157.8 | 91.3 | 138.2 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1231 | C | 32.9 | Very low | 52.1 | Low | 114 Ų | 114 | 114.1 Ų | 114.1 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | trans | 52.5 | 111.2 | 151.1 | -111.5 | 0 | 0 | 0 | 0 | 120.6 | M1233 | C1231-M1233 PolarHBondContact O-N 2.97Å; C1231-M1233 VanDerWaalsContact O-N 3.08Å | ||
| 1232 | L | 36.4 | Very low | 49.4 | Very low | 175 Ų | 175 | 121.2 Ų | 121.2 | 92% | 0.916 | 68% | 0.682 | S | S | * | * | trans | -47.4 | 100.9 | 132.6 | -85.9 | 149.4 | 0 | 0 | 0 | 110 | ||||
| 1233 | M | 28.9 | Very low | 47 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | trans | -137.7 | 127.7 | 149.6 | -80.8 | -96.9 | 88.4 | 0 | 0 | 106.8 | C1231 | C1231-M1233 PolarHBondContact O-N 2.97Å; C1231-M1233 VanDerWaalsContact O-N 3.08Å | ||
| 1234 | Q | 29 | Very low | 44.5 | Very low | 265 Ų | 265 | 131 Ų | 131 | 100% | 1.238 | 75% | 0.747 | S | S | * | * | trans | -45 | 0 | -173.6 | -75.8 | 168 | -38.1 | 0 | 0 | 116.5 |
Retrieved 1,234 of 1,234 residues in 227.6 ms
(Link to these results)