| 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 | 65 | Low | 61.3 | Low | 107 Ų | 107 | 78.5 Ų | 78.5 | 53% | 0.527 | 43% | 0.426 | S | S | . | . | 0 | -58.4 | 0 | -66.8 | -50.3 | -70.6 | 0 | 0 | 111.8 | E3 A4 V5 L143 | M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.94Å; M1-A4 VanDerWaalsContact O-CB 3.25Å; M1-A4 WeakPolarHBondContact O-CB 3.3Å; M1-A4 PolarHBondContact O-N 2.91Å; M1-V5 PolarHBondContact O-N 3.04Å; M1-V5 VanDerWaalsContact O-N 3.16Å; M1-L143 HydrophobicContact CE-CD2 4.4Å; M1-L143 HydrophobicContact SD-CD1 3.86Å; M1-L143 HydrophobicContact SD-CD2 4.46Å; M1-L143 HydrophobicContact SD-CG 4.38Å | |||
| 2 | E | 60.6 | Low | 61.9 | Low | 93 Ų | 93 | 75.7 Ų | 75.7 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.4 | -45 | 177 | -67.9 | -164.2 | 138.4 | 0 | 0 | 112.8 | A4 V5 C6 M419 R423 | E2-A4 PolarHBondContact O-N 3.23Å; E2-V5 PolarHBondContact O-N 3.23Å; E2-V5 VanDerWaalsContact O-N 3.08Å; E2-C6 PolarHBondContact O-N 3.37Å; E2-C6 PolarHBondContact O-SG 3.48Å; E2-M419 HydrophobicContact CG-CE 3.68Å; E2-M419 WeakPolarHBondContact OE1-CE 3.31Å; E2-R423 IonicContact OE1-CZ 2.72Å; E2-R423 IonicContact OE1-NE 3.73Å; E2-R423 PolarHBondContact OE1-NE 3.42Å; E2-R423 IonicContact OE1-NH2 3.84Å; E2-R423 PolarHBondContact OE1-NH2 3.35Å |
| 3 | E | 64 | Low | 62.2 | Low | 47 Ų | 47 | 73.1 Ų | 73.1 | 22% | 0.22 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -54 | -39 | 173.4 | -174.6 | -175.5 | -172.8 | 0 | 0 | 112.6 | M1 C6 M7 I10 S14 N16 | M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.94Å; E3-C6 PolarHBondContact O-N 3.23Å; E3-M7 HydrophobicContact CG-SD 4.27Å; E3-M7 WeakPolarHBondContact O-CB 3.39Å; E3-M7 PolarHBondContact O-N 2.96Å; E3-I10 HydrophobicContact CG-CG1 4.42Å; E3-S14 PolarHBondContact OE1-OG 3.06Å; E3-S14 PolarHBondContact OE2-OG 2.9Å; E3-N16 VanDerWaalsContact OE2-CB 3.27Å; E3-N16 WeakPolarHBondContact OE2-CB 3.23Å; E3-N16 PolarHBondContact OE2-ND2 3.21Å |
| 4 | A | 64.6 | Low | 62.8 | Low | 14 Ų | 14 | 69.1 Ų | 69.1 | 12% | 0.116 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 E2 C6 K8 I10 L143 | M1-A4 VanDerWaalsContact O-CB 3.25Å; M1-A4 WeakPolarHBondContact O-CB 3.3Å; M1-A4 PolarHBondContact O-N 2.91Å; E2-A4 PolarHBondContact O-N 3.23Å; A4-C6 VanDerWaalsContact C-N 3.31Å; A4-K8 WeakPolarHBondContact O-CA 3.14Å; A4-K8 PolarHBondContact O-N 3.15Å; A4-I10 HydrophobicContact CB-CD1 3.36Å; A4-I10 HydrophobicContact CB-CG1 4.18Å; A4-L143 HydrophobicContact CB-CD1 3.91Å; A4-L143 HydrophobicContact CB-CD2 3.67Å; A4-L143 HydrophobicContact CB-CG 4.44Å |
| 5 | V | 57.9 | Low | 63.4 | Low | 120 Ų | 120 | 68.2 Ų | 68.2 | 73% | 0.727 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.2 | -38.3 | 177.8 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | M1 E2 | M1-V5 PolarHBondContact O-N 3.04Å; M1-V5 VanDerWaalsContact O-N 3.16Å; E2-V5 PolarHBondContact O-N 3.23Å; E2-V5 VanDerWaalsContact O-N 3.08Å |
| 6 | C | 50.8 | Low | 64.3 | Low | 108 Ų | 108 | 70.2 Ų | 70.2 | 73% | 0.73 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -76.7 | -43.1 | -179.2 | -67.8 | 0 | 0 | 0 | 0 | 113.4 | E2 E3 A4 | E2-C6 PolarHBondContact O-N 3.37Å; E2-C6 PolarHBondContact O-SG 3.48Å; E3-C6 PolarHBondContact O-N 3.23Å; A4-C6 VanDerWaalsContact C-N 3.31Å |
| 7 | M | 57.8 | Low | 65.3 | Low | 116 Ų | 116 | 66.8 Ų | 66.8 | 57% | 0.571 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -101.2 | -6.8 | -169 | -62.2 | -164.6 | 71.1 | 0 | 0 | 114.4 | E3 V9 | E3-M7 HydrophobicContact CG-SD 4.27Å; E3-M7 WeakPolarHBondContact O-CB 3.39Å; E3-M7 PolarHBondContact O-N 2.96Å; M7-V9 PolarHBondContact O-N 3.07Å |
| 8 | K | 56.5 | Low | 66.1 | Low | 159 Ų | 159 | 65 Ų | 65 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 55.8 | -27.7 | -171.7 | -78.3 | -173.6 | 177.9 | 179.8 | 0 | 116 | A4 E164 | A4-K8 WeakPolarHBondContact O-CA 3.14Å; A4-K8 PolarHBondContact O-N 3.15Å; K8-E164 IonicContact NZ-OE1 3.98Å |
| 9 | V | 60.9 | Low | 66.9 | Low | 75 Ų | 75 | 64.5 Ų | 64.5 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -131.5 | 129.2 | -178.2 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | M7 T146 | M7-V9 PolarHBondContact O-N 3.07Å; V9-T146 HydrophobicContact CG1-CG2 3.29Å; V9-T146 WeakPolarHBondContact CG1-OG1 3.41Å |
| 10 | I | 67.2 | Low | 67.8 | Low | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.046 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.9 | 175.5 | -57.9 | 165.3 | 0 | 0 | 0 | 108 | E3 A4 I17 L143 Y145 T146 | E3-I10 HydrophobicContact CG-CG1 4.42Å; A4-I10 HydrophobicContact CB-CD1 3.36Å; A4-I10 HydrophobicContact CB-CG1 4.18Å; I10-I17 HydrophobicContact CG2-CD1 3.64Å; I10-I17 HydrophobicContact CG2-CG1 4.05Å; I10-L143 HydrophobicContact CD1-CD1 3.87Å; I10-Y145 HydrophobicContact CB-CD1 4.25Å; I10-Y145 HydrophobicContact CB-CE1 4.44Å; I10-Y145 HydrophobicContact CG2-CD1 4.49Å; I10-T146 PolarHBondContact O-N 3.34Å; I10-T146 PolarHBondContact O-OG1 3.22Å |
| 11 | G | 69.1 | Low | 68.7 | Low | 16 Ų | 16 | 60.9 Ų | 60.9 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 137.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S13 S14 I17 | G11-S13 PolarHBondContact O-N 2.75Å; G11-S14 WeakPolarHBondContact O-CB 3.29Å; G11-S14 PolarHBondContact O-N 3.04Å; G11-I17 WeakPolarHBondContact O-CD1 3.21Å |
| 12 | E | 68.9 | Low | 69.6 | Low | 44 Ų | 44 | 58.9 Ų | 58.9 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -21.9 | 178.1 | -73.3 | 173 | -176.6 | 0 | 0 | 113.5 | V99 T146 K147 | E12-V99 HydrophobicContact CG-CG2 3.95Å; E12-T146 WeakPolarHBondContact CG-O 3.41Å; E12-T146 PolarHBondContact N-O 3.35Å; E12-K147 WeakPolarHBondContact OE1-CA 3.41Å; E12-K147 WeakPolarHBondContact OE1-CG 3.39Å |
| 13 | S | 64.7 | Low | 70.8 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 1 | 179.2 | 60.8 | 0 | 0 | 0 | 0 | 115.1 | G11 G15 | G11-S13 PolarHBondContact O-N 2.75Å; S13-G15 PolarHBondContact O-N 2.89Å |
| 14 | S | 71.2 | Confident | 72.1 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | trans | -55.9 | 137.8 | -179.5 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | E3 G11 N16 I17 T18 | E3-S14 PolarHBondContact OE1-OG 3.06Å; E3-S14 PolarHBondContact OE2-OG 2.9Å; G11-S14 WeakPolarHBondContact O-CB 3.29Å; G11-S14 PolarHBondContact O-N 3.04Å; S14-N16 PolarHBondContact O-N 2.98Å; S14-N16 PolarHBondContact OG-N 2.78Å; S14-I17 PolarHBondContact O-N 3.38Å; S14-T18 PolarHBondContact O-N 2.94Å; S14-T18 VanDerWaalsContact O-N 3.12Å; S14-T18 PolarHBondContact O-OG1 3.45Å | ||
| 15 | G | 72.2 | Confident | 73.2 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 57% | 0.567 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.9 | -31.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S13 T18 A19 | S13-G15 PolarHBondContact O-N 2.89Å; G15-T18 WeakPolarHBondContact O-CB 3.49Å; G15-T18 PolarHBondContact O-N 3.23Å; G15-A19 PolarHBondContact O-N 3.46Å |
| 16 | N | 77.5 | Confident | 74.5 | Confident | 100 Ų | 100 | 54.4 Ų | 54.4 | 54% | 0.535 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -72.3 | -37.7 | 178.4 | -67.3 | -33.3 | 0 | 0 | 0 | 112.5 | E3 S14 T18 A19 L20 | E3-N16 VanDerWaalsContact OE2-CB 3.27Å; E3-N16 WeakPolarHBondContact OE2-CB 3.23Å; E3-N16 PolarHBondContact OE2-ND2 3.21Å; S14-N16 PolarHBondContact O-N 2.98Å; S14-N16 PolarHBondContact OG-N 2.78Å; N16-T18 VanDerWaalsContact C-N 3.29Å; N16-A19 PolarHBondContact O-N 3.15Å; N16-L20 WeakPolarHBondContact O-CB 3.31Å; N16-L20 PolarHBondContact O-N 3.41Å |
| 17 | I | 80.8 | Confident | 76.3 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 171.6 | -66.4 | -179.5 | 0 | 0 | 0 | 109.3 | I10 G11 S14 A19 L20 C21 R95 L98 Y145 | I10-I17 HydrophobicContact CG2-CD1 3.64Å; I10-I17 HydrophobicContact CG2-CG1 4.05Å; G11-I17 WeakPolarHBondContact O-CD1 3.21Å; S14-I17 PolarHBondContact O-N 3.38Å; I17-A19 PolarHBondContact O-N 3.06Å; I17-L20 PolarHBondContact O-N 2.92Å; I17-C21 WeakPolarHBondContact O-CB 3.4Å; I17-C21 PolarHBondContact O-N 3.13Å; I17-C21 PolarHBondContact O-SG 3.25Å; I17-R95 HydrophobicContact CG2-CG 4.47Å; I17-L98 HydrophobicContact CG2-CD2 4.06Å; I17-Y145 HydrophobicContact CD1-CD1 3.57Å; I17-Y145 HydrophobicContact CD1-CE1 3.53Å; I17-Y145 HydrophobicContact CG1-CE1 4.13Å |
| 18 | T | 80.1 | Confident | 77.7 | Confident | 34 Ų | 34 | 45.5 Ų | 45.5 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 177.1 | -60.2 | 0 | 0 | 0 | 0 | 112 | S14 G15 N16 C21 L22 R95 | S14-T18 PolarHBondContact O-N 2.94Å; S14-T18 VanDerWaalsContact O-N 3.12Å; S14-T18 PolarHBondContact O-OG1 3.45Å; G15-T18 WeakPolarHBondContact O-CB 3.49Å; G15-T18 PolarHBondContact O-N 3.23Å; N16-T18 VanDerWaalsContact C-N 3.29Å; T18-C21 PolarHBondContact O-N 3.28Å; T18-L22 HydrophobicContact CG2-CD1 4.21Å; T18-L22 WeakPolarHBondContact O-CG 3.32Å; T18-L22 PolarHBondContact O-N 3.41Å; T18-R95 VanDerWaalsContact CB-NH2 3.32Å; T18-R95 PolarHBondContact OG1-NH2 3.3Å |
| 19 | A | 80.6 | Confident | 79.2 | Confident | 55 Ų | 55 | 40.7 Ų | 40.7 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G15 N16 I17 L22 A23 | G15-A19 PolarHBondContact O-N 3.46Å; N16-A19 PolarHBondContact O-N 3.15Å; I17-A19 PolarHBondContact O-N 3.06Å; A19-L22 PolarHBondContact O-N 2.76Å; A19-A23 PolarHBondContact O-N 3.06Å |
| 20 | L | 85.2 | Confident | 80.3 | Confident | 52 Ų | 52 | 42 Ų | 42 | 27% | 0.272 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 175 | 178.1 | 64.2 | 0 | 0 | 0 | 111.2 | N16 I17 L22 A23 V24 L98 L137 P140 | N16-L20 WeakPolarHBondContact O-CB 3.31Å; N16-L20 PolarHBondContact O-N 3.41Å; I17-L20 PolarHBondContact O-N 2.92Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 2.95Å; L20-A23 PolarHBondContact O-N 3.1Å; L20-V24 HydrophobicContact CD1-CG2 4.44Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 2.77Å; L20-L98 HydrophobicContact CD2-CD2 4.12Å; L20-L137 HydrophobicContact CD1-CD2 4.25Å; L20-P140 HydrophobicContact CD2-CB 3.78Å; L20-P140 HydrophobicContact CD2-CG 3.99Å |
| 21 | C | 87.3 | Confident | 81 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -39 | 178.4 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | I17 T18 V24 E25 L91 I94 R95 | I17-C21 WeakPolarHBondContact O-CB 3.4Å; I17-C21 PolarHBondContact O-N 3.13Å; I17-C21 PolarHBondContact O-SG 3.25Å; T18-C21 PolarHBondContact O-N 3.28Å; C21-V24 PolarHBondContact O-N 2.95Å; C21-E25 WeakPolarHBondContact O-CB 3.42Å; C21-E25 PolarHBondContact O-N 3.44Å; C21-L91 HydrophobicContact CB-CB 4.43Å; C21-L91 HydrophobicContact CB-CD1 4.26Å; C21-L91 HydrophobicContact CB-CD2 4.18Å; C21-L91 WeakPolarHBondContact O-CD2 3.49Å; C21-I94 HydrophobicContact CB-CG2 4.03Å; C21-R95 HydrophobicContact CB-CG 4.36Å; C21-R95 WeakPolarHBondContact SG-CG 3.41Å |
| 22 | L | 83.9 | Confident | 81.7 | Confident | 65 Ų | 65 | 42.8 Ų | 42.8 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.6 | -77.6 | 167.5 | 0 | 0 | 0 | 112.1 | T18 A19 L20 V24 E25 N26 L91 | T18-L22 HydrophobicContact CG2-CD1 4.21Å; T18-L22 WeakPolarHBondContact O-CG 3.32Å; T18-L22 PolarHBondContact O-N 3.41Å; A19-L22 PolarHBondContact O-N 2.76Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 2.95Å; L22-V24 VanDerWaalsContact C-N 3.35Å; L22-E25 PolarHBondContact O-N 2.88Å; L22-N26 VanDerWaalsContact O-CG 3.31Å; L22-N26 PolarHBondContact O-N 2.95Å; L22-N26 PolarHBondContact O-ND2 2.86Å; L22-L91 HydrophobicContact CD2-CD1 3.68Å; L22-L91 HydrophobicContact CD2-CD2 4.37Å; L22-L91 HydrophobicContact CD2-CG 4.43Å; L22-L91 HydrophobicContact CG-CD1 3.69Å |
| 23 | A | 86.4 | Confident | 82.3 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A19 L20 N26 C27 | A19-A23 PolarHBondContact O-N 3.06Å; L20-A23 PolarHBondContact O-N 3.1Å; A23-N26 PolarHBondContact O-N 3.41Å; A23-C27 PolarHBondContact O-N 3.27Å; A23-C27 PolarHBondContact O-SG 3.18Å |
| 24 | V | 89.4 | Confident | 82.6 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.03 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 175.5 | 176 | 0 | 0 | 0 | 0 | 111.2 | L20 C21 L22 N26 C27 L28 I94 L103 L137 | L20-V24 HydrophobicContact CD1-CG2 4.44Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 2.77Å; C21-V24 PolarHBondContact O-N 2.95Å; L22-V24 VanDerWaalsContact C-N 3.35Å; V24-N26 VanDerWaalsContact C-N 3.34Å; V24-N26 PolarHBondContact O-N 2.88Å; V24-C27 PolarHBondContact O-N 3.29Å; V24-L28 HydrophobicContact CG1-CD1 3.96Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CG 3.39Å; V24-L28 PolarHBondContact O-N 2.99Å; V24-I94 HydrophobicContact CB-CG2 4.19Å; V24-I94 HydrophobicContact CG1-CD1 4.36Å; V24-I94 HydrophobicContact CG1-CG2 4.03Å; V24-L103 HydrophobicContact CG1-CD1 4.42Å; V24-L103 HydrophobicContact CG1-CD2 4.47Å; V24-L137 HydrophobicContact CG1-CD1 4.48Å; V24-L137 HydrophobicContact CG2-CD1 4.12Å; V24-L137 HydrophobicContact CG2-CD2 3.63Å; V24-L137 HydrophobicContact CG2-CG 4.46Å |
| 25 | E | 87.9 | Confident | 82.4 | Confident | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 176.2 | -176.6 | 170.9 | -139.4 | 0 | 0 | 111.4 | C21 L22 C27 L28 L29 T45 L91 I94 | C21-E25 WeakPolarHBondContact O-CB 3.42Å; C21-E25 PolarHBondContact O-N 3.44Å; L22-E25 PolarHBondContact O-N 2.88Å; E25-C27 VanDerWaalsContact C-N 3.35Å; E25-C27 PolarHBondContact O-N 3.08Å; E25-L28 PolarHBondContact O-N 3.45Å; E25-L28 VanDerWaalsContact O-N 3.15Å; E25-L29 HydrophobicContact CG-CD1 3.85Å; E25-L29 HydrophobicContact CG-CG 4.27Å; E25-L29 WeakPolarHBondContact O-CG 3.15Å; E25-L29 PolarHBondContact O-N 3.2Å; E25-T45 HydrophobicContact CG-CG2 3.88Å; E25-L91 HydrophobicContact CB-CD2 3.61Å; E25-L91 VanDerWaalsContact CD-CD2 3.49Å; E25-L91 HydrophobicContact CG-CD2 4.1Å; E25-L91 WeakPolarHBondContact OE2-CD2 3.42Å; E25-I94 HydrophobicContact CB-CD1 3.74Å; E25-I94 HydrophobicContact CG-CD1 4.4Å |
| 26 | N | 86.7 | Confident | 81.8 | Confident | 103 Ų | 103 | 58 Ų | 58 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 178.7 | -71.8 | -27.9 | 0 | 0 | 0 | 112.3 | L22 A23 V24 L28 L29 H30 | L22-N26 VanDerWaalsContact O-CG 3.31Å; L22-N26 PolarHBondContact O-N 2.95Å; L22-N26 PolarHBondContact O-ND2 2.86Å; A23-N26 PolarHBondContact O-N 3.41Å; V24-N26 VanDerWaalsContact C-N 3.34Å; V24-N26 PolarHBondContact O-N 2.88Å; N26-L28 VanDerWaalsContact C-N 3.31Å; N26-L28 PolarHBondContact O-N 3.47Å; N26-L29 PolarHBondContact O-N 2.9Å; N26-H30 PolarHBondContact O-N 3.42Å; N26-H30 VanDerWaalsContact O-N 3.15Å |
| 27 | C | 87.2 | Confident | 81 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -40 | 174.4 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | A23 V24 E25 L123 | A23-C27 PolarHBondContact O-N 3.27Å; A23-C27 PolarHBondContact O-SG 3.18Å; V24-C27 PolarHBondContact O-N 3.29Å; E25-C27 VanDerWaalsContact C-N 3.35Å; E25-C27 PolarHBondContact O-N 3.08Å; C27-L123 HydrophobicContact CB-CD2 4.42Å |
| 28 | L | 88.5 | Confident | 79.8 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -79.2 | -22 | -179.8 | -66.2 | 176.4 | 0 | 0 | 0 | 113.7 | V24 E25 N26 T45 W93 V107 I110 Y118 M124 | V24-L28 HydrophobicContact CG1-CD1 3.96Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CG 3.39Å; V24-L28 PolarHBondContact O-N 2.99Å; E25-L28 PolarHBondContact O-N 3.45Å; E25-L28 VanDerWaalsContact O-N 3.15Å; N26-L28 VanDerWaalsContact C-N 3.31Å; N26-L28 PolarHBondContact O-N 3.47Å; L28-T45 HydrophobicContact CB-CG2 3.8Å; L28-W93 HydrophobicContact CD1-CH2 3.7Å; L28-W93 HydrophobicContact CD1-CZ2 3.8Å; L28-V107 HydrophobicContact CD2-CG2 4.48Å; L28-I110 HydrophobicContact CD2-CD1 4.21Å; L28-I110 HydrophobicContact CD2-CG2 4.44Å; L28-Y118 WeakPolarHBondContact CA-OH 3.4Å; L28-Y118 WeakPolarHBondContact CD2-OH 3.41Å; L28-Y118 VanDerWaalsContact O-CE1 3.24Å; L28-Y118 WeakPolarHBondContact O-CE1 3.46Å; L28-Y118 PolarHBondContact O-OH 3.24Å; L28-M124 HydrophobicContact CD2-CE 4.35Å; L28-M124 HydrophobicContact CD2-CG 4.34Å; L28-M124 HydrophobicContact CD2-SD 4.41Å |
| 29 | L | 86.7 | Confident | 78.6 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -81.9 | -28.3 | 174.9 | -74.1 | 175.3 | 0 | 0 | 0 | 112.5 | E25 N26 G31 L32 T45 | E25-L29 HydrophobicContact CG-CD1 3.85Å; E25-L29 HydrophobicContact CG-CG 4.27Å; E25-L29 WeakPolarHBondContact O-CG 3.15Å; E25-L29 PolarHBondContact O-N 3.2Å; N26-L29 PolarHBondContact O-N 2.9Å; L29-G31 PolarHBondContact O-N 3.16Å; L29-L32 PolarHBondContact O-N 3.15Å; L29-T45 HydrophobicContact CD2-CG2 3.69Å; L29-T45 HydrophobicContact CG-CG2 3.67Å |
| 30 | H | 84.6 | Confident | 77.1 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 110 | -175.1 | -176.8 | -79 | 0 | 0 | 0 | 112.1 | N26 L32 Y118 E121 A122 L123 | N26-H30 PolarHBondContact O-N 3.42Å; N26-H30 VanDerWaalsContact O-N 3.15Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-Y118 WeakPolarHBondContact O-CD1 3.28Å; H30-E121 PolarHBondContact CE1-O 2.98Å; H30-A122 VanDerWaalsContact O-CB 3.28Å; H30-A122 WeakPolarHBondContact O-CB 3.37Å; H30-L123 PolarHBondContact ND1-N 3.09Å |
| 31 | G | 82.6 | Confident | 75.3 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 20.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L29 R33 Y118 D119 | L29-G31 PolarHBondContact O-N 3.16Å; G31-R33 PolarHBondContact O-N 2.97Å; G31-Y118 WeakPolarHBondContact O-CA 3.07Å; G31-D119 PolarHBondContact O-N 3.46Å |
| 32 | L | 83.7 | Confident | 73.7 | Confident | 13 Ų | 13 | 81.9 Ų | 81.9 | 7% | 0.068 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 124 | 176.6 | -174.6 | 62.5 | 0 | 0 | 0 | 110.7 | L29 H30 K34 V36 F37 L48 Y118 | L29-L32 PolarHBondContact O-N 3.15Å; H30-L32 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.42Å; L32-V36 HydrophobicContact CD1-CB 4.48Å; L32-V36 HydrophobicContact CD1-CG1 4.41Å; L32-V36 HydrophobicContact CD1-CG2 4.25Å; L32-F37 HydrophobicContact CB-CZ 4.17Å; L32-F37 HydrophobicContact CD2-CE1 3.49Å; L32-F37 VanDerWaalsContact CD2-CE1 3.49Å; L32-F37 HydrophobicContact CD2-CZ 3.66Å; L32-F37 HydrophobicContact CG-CE1 4Å; L32-F37 HydrophobicContact CG-CZ 3.75Å; L32-L48 HydrophobicContact CD1-CD1 4.1Å; L32-L48 HydrophobicContact CD1-CD2 4.07Å; L32-L48 HydrophobicContact CD1-CG 4.49Å; L32-L48 HydrophobicContact CD2-CB 4.25Å; L32-L48 HydrophobicContact CD2-CD2 4.42Å; L32-Y118 HydrophobicContact CB-CD1 4.24Å; L32-Y118 HydrophobicContact CB-CE1 3.96Å; L32-Y118 HydrophobicContact CD1-CD1 4.24Å; L32-Y118 HydrophobicContact CD1-CE1 3.88Å; L32-Y118 HydrophobicContact CD1-CE2 4.33Å |
| 33 | R | 81.3 | Confident | 72.5 | Confident | 64 Ų | 64 | 81.9 Ų | 81.9 | 24% | 0.242 | 42% | 0.422 | C | S | . | . | trans | -62.6 | 134.9 | -174 | -77 | 175.8 | 178.9 | 160.4 | 12.7 | 112.2 | G31 R35 V36 P115 Y117 Y118 D119 | G31-R33 PolarHBondContact O-N 2.97Å; R33-R35 PolarHBondContact O-N 2.68Å; R33-V36 HydrophobicContact CB-CG2 4.11Å; R33-V36 VanDerWaalsContact O-CB 3.29Å; R33-V36 WeakPolarHBondContact O-CB 3.28Å; R33-V36 WeakPolarHBondContact O-CG2 3.24Å; R33-V36 PolarHBondContact O-N 3.38Å; R33-P115 PolarHBondContact NH1-O 3.08Å; R33-P115 PolarHBondContact NH2-O 3.44Å; R33-Y117 VanDerWaalsContact CB-O 3.23Å; R33-Y117 WeakPolarHBondContact CB-O 3.32Å; R33-Y117 WeakPolarHBondContact CG-O 3.45Å; R33-Y117 PolarHBondContact N-O 3.23Å; R33-Y118 PolarHBondContact NE-O 2.89Å; R33-Y118 VanDerWaalsContact NE-O 3.07Å; R33-Y118 PolarHBondContact NH2-O 3Å; R33-D119 WeakPolarHBondContact CG-OD1 3.27Å; R33-D119 IonicContact NE-OD1 3.61Å; R33-D119 PolarHBondContact NE-OD1 3.41Å | ||
| 34 | K | 69.8 | Low | 71.9 | Confident | 185 Ų | 185 | 82 Ų | 82 | 80% | 0.804 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -53.9 | -33.5 | 176.4 | -67.8 | -175.7 | -178.8 | 177.6 | 0 | 114.4 | L32 V36 F37 | L32-K34 PolarHBondContact O-N 3.42Å; K34-V36 PolarHBondContact O-N 3.12Å; K34-F37 VanDerWaalsContact CA-CD2 3.45Å; K34-F37 HydrophobicContact CB-CD2 4.35Å; K34-F37 HydrophobicContact CG-CE2 4.47Å; K34-F37 WeakPolarHBondContact O-CB 3.47Å; K34-F37 WeakPolarHBondContact O-CD2 3.29Å; K34-F37 PolarHBondContact O-N 3.15Å; K34-F37 VanDerWaalsContact O-N 3.15Å |
| 35 | R | 67.2 | Low | 71.6 | Confident | 217 Ų | 217 | 81.8 Ų | 81.8 | 82% | 0.819 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -65.4 | -15.9 | 177.7 | -71.5 | -173.9 | -95.3 | -176.6 | -6.9 | 114 | R33 F37 | R33-R35 PolarHBondContact O-N 2.68Å; R35-F37 VanDerWaalsContact C-N 3.27Å |
| 36 | V | 60.7 | Low | 71.5 | Confident | 13 Ų | 13 | 82.6 Ų | 82.6 | 8% | 0.079 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -71.1 | -26.8 | 175.2 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | L32 R33 K34 G38 L48 K51 Y117 | L32-V36 HydrophobicContact CD1-CB 4.48Å; L32-V36 HydrophobicContact CD1-CG1 4.41Å; L32-V36 HydrophobicContact CD1-CG2 4.25Å; R33-V36 HydrophobicContact CB-CG2 4.11Å; R33-V36 VanDerWaalsContact O-CB 3.29Å; R33-V36 WeakPolarHBondContact O-CB 3.28Å; R33-V36 WeakPolarHBondContact O-CG2 3.24Å; R33-V36 PolarHBondContact O-N 3.38Å; K34-V36 PolarHBondContact O-N 3.12Å; V36-G38 VanDerWaalsContact C-N 3.34Å; V36-G38 PolarHBondContact O-N 3.23Å; V36-L48 HydrophobicContact CG1-CB 4.45Å; V36-L48 HydrophobicContact CG1-CD1 4.23Å; V36-K51 HydrophobicContact CG1-CD 3.97Å; V36-Y117 HydrophobicContact CG2-CD1 4.42Å |
| 37 | F | 59.4 | Low | 71.3 | Confident | 29 Ų | 29 | 79.3 Ų | 79.3 | 13% | 0.127 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -79.5 | -8.4 | -172.4 | -52.3 | -51.5 | 0 | 0 | 0 | 115.1 | L32 K34 R35 A43 T47 | L32-F37 HydrophobicContact CB-CZ 4.17Å; L32-F37 HydrophobicContact CD2-CE1 3.49Å; L32-F37 VanDerWaalsContact CD2-CE1 3.49Å; L32-F37 HydrophobicContact CD2-CZ 3.66Å; L32-F37 HydrophobicContact CG-CE1 4Å; L32-F37 HydrophobicContact CG-CZ 3.75Å; K34-F37 VanDerWaalsContact CA-CD2 3.45Å; K34-F37 HydrophobicContact CB-CD2 4.35Å; K34-F37 HydrophobicContact CG-CE2 4.47Å; K34-F37 WeakPolarHBondContact O-CB 3.47Å; K34-F37 WeakPolarHBondContact O-CD2 3.29Å; K34-F37 PolarHBondContact O-N 3.15Å; K34-F37 VanDerWaalsContact O-N 3.15Å; R35-F37 VanDerWaalsContact C-N 3.27Å; F37-A43 HydrophobicContact CD1-CB 4.27Å; F37-A43 HydrophobicContact CD2-CB 4.13Å; F37-A43 VanDerWaalsContact CE1-CA 3.41Å; F37-A43 HydrophobicContact CE1-CB 3.81Å; F37-A43 HydrophobicContact CE2-CB 3.66Å; F37-A43 HydrophobicContact CG-CB 4.45Å; F37-A43 HydrophobicContact CZ-CB 3.49Å; F37-A43 VanDerWaalsContact CZ-CB 3.49Å; F37-T47 VanDerWaalsContact CD1-OG1 3.29Å; F37-T47 WeakPolarHBondContact CD1-OG1 3.49Å |
| 38 | G | 57.4 | Low | 71.3 | Confident | 57 Ų | 57 | 77.7 Ų | 77.7 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | 59.6 | -167.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V36 F40 | V36-G38 VanDerWaalsContact C-N 3.34Å; V36-G38 PolarHBondContact O-N 3.23Å; G38-F40 VanDerWaalsContact C-N 3.26Å; G38-F40 PolarHBondContact O-N 2.82Å |
| 39 | F | 54.1 | Low | 71.4 | Confident | 215 Ų | 215 | 77.8 Ų | 77.8 | 94% | 0.943 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -72.2 | -11.6 | -179 | -89.5 | -84 | 0 | 0 | 0 | 114.4 | ||
| 40 | F | 48.3 | Very low | 71.4 | Confident | 205 Ų | 205 | 79.1 Ų | 79.1 | 90% | 0.899 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -95 | 10.8 | -174 | -70.3 | -77 | 0 | 0 | 0 | 115.2 | G38 R42 | G38-F40 VanDerWaalsContact C-N 3.26Å; G38-F40 PolarHBondContact O-N 2.82Å; F40-R42 PolarHBondContact O-N 2.99Å; F40-R42 VanDerWaalsContact O-N 3.13Å |
| 41 | G | 47.7 | Very low | 71.5 | Confident | 64 Ų | 64 | 78 Ų | 78 | 66% | 0.66 | 39% | 0.392 | S | S | * | . | trans | 70.6 | 16.2 | 142 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 42 | R | 53.8 | Low | 71.9 | Confident | 186 Ų | 186 | 76.7 Ų | 76.7 | 70% | 0.702 | 38% | 0.378 | S | S | * | . | trans | -120.9 | 125.1 | 166.5 | -73.7 | -169.8 | 178.3 | 177.9 | 2.8 | 112.2 | F40 T44 | F40-R42 PolarHBondContact O-N 2.99Å; F40-R42 VanDerWaalsContact O-N 3.13Å; R42-T44 VanDerWaalsContact C-N 3.33Å; R42-T44 HydrophobicContact CB-CG2 4.23Å; R42-T44 PolarHBondContact O-N 3.48Å | ||
| 43 | A | 58.6 | Low | 72.2 | Confident | 64 Ų | 64 | 76.7 Ų | 76.7 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | trans | -72.9 | 86.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | F37 | F37-A43 HydrophobicContact CD1-CB 4.27Å; F37-A43 HydrophobicContact CD2-CB 4.13Å; F37-A43 VanDerWaalsContact CE1-CA 3.41Å; F37-A43 HydrophobicContact CE1-CB 3.81Å; F37-A43 HydrophobicContact CE2-CB 3.66Å; F37-A43 HydrophobicContact CG-CB 4.45Å; F37-A43 HydrophobicContact CZ-CB 3.49Å; F37-A43 VanDerWaalsContact CZ-CB 3.49Å | ||
| 44 | T | 74.7 | Confident | 72.6 | Confident | 52 Ų | 52 | 80.7 Ų | 80.7 | 32% | 0.319 | 40% | 0.404 | S | S | . | . | trans | -122.8 | 144.9 | 174.2 | 67.1 | 0 | 0 | 0 | 0 | 110.1 | R42 F46 T47 | R42-T44 VanDerWaalsContact C-N 3.33Å; R42-T44 HydrophobicContact CB-CG2 4.23Å; R42-T44 PolarHBondContact O-N 3.48Å; T44-F46 PolarHBondContact O-N 3.06Å; T44-F46 VanDerWaalsContact O-N 3.15Å; T44-T47 PolarHBondContact O-N 3.37Å; T44-T47 VanDerWaalsContact O-N 3.08Å; T44-T47 PolarHBondContact O-OG1 3.03Å | ||
| 45 | T | 83.5 | Confident | 73.6 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60 | -22.2 | 172.7 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | E25 L28 L29 T47 L48 L49 W93 | E25-T45 HydrophobicContact CG-CG2 3.88Å; L28-T45 HydrophobicContact CB-CG2 3.8Å; L29-T45 HydrophobicContact CD2-CG2 3.69Å; L29-T45 HydrophobicContact CG-CG2 3.67Å; T45-T47 VanDerWaalsContact C-N 3.34Å; T45-T47 PolarHBondContact O-N 3.02Å; T45-L48 WeakPolarHBondContact O-CB 3.47Å; T45-L48 PolarHBondContact O-N 3.48Å; T45-L48 VanDerWaalsContact O-N 3.15Å; T45-L49 PolarHBondContact O-N 3.45Å; T45-W93 PolarHBondContact OG1-NE1 3.37Å |
| 46 | F | 84.6 | Confident | 74.9 | Confident | 41 Ų | 41 | 66 Ų | 66 | 18% | 0.18 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 173.4 | -170.5 | -113.6 | 0 | 0 | 0 | 113.2 | T44 L48 L49 H50 L63 T66 V67 W93 | T44-F46 PolarHBondContact O-N 3.06Å; T44-F46 VanDerWaalsContact O-N 3.15Å; F46-L48 VanDerWaalsContact C-N 3.31Å; F46-L48 PolarHBondContact O-N 3.22Å; F46-L49 HydrophobicContact CD2-CD2 4.24Å; F46-L49 HydrophobicContact CE2-CD2 4.29Å; F46-L49 WeakPolarHBondContact O-CB 3.32Å; F46-L49 PolarHBondContact O-N 3.18Å; F46-H50 AromaticContact CD1-CD2 3.99Å; F46-H50 AromaticContact CE1-CD2 3.74Å; F46-H50 AromaticContact CE1-NE2 3.33Å; F46-H50 VanDerWaalsContact CE1-NE2 3.33Å; F46-H50 WeakPolarHBondContact CE1-NE2 3.32Å; F46-H50 AromaticContact CZ-NE2 3.6Å; F46-H50 PolarHBondContact O-CD2 3.49Å; F46-H50 PolarHBondContact O-N 2.91Å; F46-H50 VanDerWaalsContact O-N 3.12Å; F46-L63 HydrophobicContact CE2-CD1 3.9Å; F46-L63 HydrophobicContact CZ-CD1 3.97Å; F46-T66 HydrophobicContact CD2-CG2 4.28Å; F46-T66 HydrophobicContact CE2-CG2 3.57Å; F46-T66 HydrophobicContact CZ-CG2 4.34Å; F46-V67 HydrophobicContact CZ-CG2 4.35Å; F46-W93 HydrophobicContact CD2-CB 4.27Å; F46-W93 AromaticContact CD2-CD1 3.96Å; F46-W93 HydrophobicContact CD2-CG 4.29Å |
| 47 | T | 83.8 | Confident | 76.4 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 20% | 0.202 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.6 | -34.3 | 173.6 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | F37 T44 T45 L49 H50 K51 | F37-T47 VanDerWaalsContact CD1-OG1 3.29Å; F37-T47 WeakPolarHBondContact CD1-OG1 3.49Å; T44-T47 PolarHBondContact O-N 3.37Å; T44-T47 VanDerWaalsContact O-N 3.08Å; T44-T47 PolarHBondContact O-OG1 3.03Å; T45-T47 VanDerWaalsContact C-N 3.34Å; T45-T47 PolarHBondContact O-N 3.02Å; T47-L49 VanDerWaalsContact C-N 3.34Å; T47-H50 WeakPolarHBondContact O-CB 3.22Å; T47-H50 PolarHBondContact O-N 3.14Å; T47-K51 PolarHBondContact O-N 3.21Å |
| 48 | L | 87.1 | Confident | 77.9 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 172.9 | 175.2 | 63.2 | 0 | 0 | 0 | 110.2 | L32 V36 T45 F46 H50 K51 V52 I110 Y117 Y118 | L32-L48 HydrophobicContact CD1-CD1 4.1Å; L32-L48 HydrophobicContact CD1-CD2 4.07Å; L32-L48 HydrophobicContact CD1-CG 4.49Å; L32-L48 HydrophobicContact CD2-CB 4.25Å; L32-L48 HydrophobicContact CD2-CD2 4.42Å; V36-L48 HydrophobicContact CG1-CB 4.45Å; V36-L48 HydrophobicContact CG1-CD1 4.23Å; T45-L48 WeakPolarHBondContact O-CB 3.47Å; T45-L48 PolarHBondContact O-N 3.48Å; T45-L48 VanDerWaalsContact O-N 3.15Å; F46-L48 VanDerWaalsContact C-N 3.31Å; F46-L48 PolarHBondContact O-N 3.22Å; L48-H50 VanDerWaalsContact C-N 3.35Å; L48-H50 PolarHBondContact O-N 3.29Å; L48-K51 PolarHBondContact O-N 3Å; L48-K51 VanDerWaalsContact O-N 3.09Å; L48-V52 HydrophobicContact CD1-CG2 3.97Å; L48-V52 HydrophobicContact CG-CG2 4.26Å; L48-V52 VanDerWaalsContact O-CG2 3.32Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 3.07Å; L48-I110 HydrophobicContact CD2-CD1 4.09Å; L48-I110 HydrophobicContact CG-CD1 4.46Å; L48-Y117 HydrophobicContact CD1-CD1 3.59Å; L48-Y117 HydrophobicContact CD1-CD2 4.45Å; L48-Y117 HydrophobicContact CD1-CE1 4.2Å; L48-Y117 HydrophobicContact CD1-CG 3.74Å; L48-Y118 HydrophobicContact CD2-CE2 4.48Å; L48-Y118 WeakPolarHBondContact CD2-OH 3.49Å |
| 49 | L | 89 | Confident | 79.5 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.6 | -46.4 | 174.9 | -179 | 70 | 0 | 0 | 0 | 111.8 | T45 F46 T47 K51 V52 A53 A59 V62 L63 W93 | T45-L49 PolarHBondContact O-N 3.45Å; F46-L49 HydrophobicContact CD2-CD2 4.24Å; F46-L49 HydrophobicContact CE2-CD2 4.29Å; F46-L49 WeakPolarHBondContact O-CB 3.32Å; F46-L49 PolarHBondContact O-N 3.18Å; T47-L49 VanDerWaalsContact C-N 3.34Å; L49-K51 VanDerWaalsContact C-N 3.25Å; L49-K51 PolarHBondContact O-N 3.49Å; L49-V52 PolarHBondContact O-N 3.14Å; L49-A53 VanDerWaalsContact O-CB 3.22Å; L49-A53 WeakPolarHBondContact O-CB 3.37Å; L49-A53 PolarHBondContact O-N 3.15Å; L49-A59 HydrophobicContact CD1-CB 3.91Å; L49-V62 HydrophobicContact CD2-CG1 4.25Å; L49-L63 HydrophobicContact CD2-CB 4.1Å; L49-L63 HydrophobicContact CD2-CD1 3.91Å; L49-L63 HydrophobicContact CG-CB 4.24Å; L49-L63 HydrophobicContact CG-CD1 4.22Å; L49-W93 HydrophobicContact CB-CD2 4.32Å; L49-W93 HydrophobicContact CD1-CD2 4.48Å; L49-W93 HydrophobicContact CD1-CE3 3.88Å; L49-W93 HydrophobicContact CD1-CZ3 4.12Å; L49-W93 HydrophobicContact CD2-CB 3.63Å; L49-W93 HydrophobicContact CD2-CD2 3.88Å; L49-W93 HydrophobicContact CD2-CE3 3.95Å; L49-W93 HydrophobicContact CD2-CG 3.77Å; L49-W93 HydrophobicContact CG-CD2 4.46Å; L49-W93 HydrophobicContact CG-CE3 4.34Å |
| 50 | H | 87.8 | Confident | 81.3 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 40% | 0.398 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -54.4 | -41.8 | 175 | -88.2 | -84.1 | 0 | 0 | 0 | 112.7 | F46 T47 L48 | F46-H50 AromaticContact CD1-CD2 3.99Å; F46-H50 AromaticContact CE1-CD2 3.74Å; F46-H50 AromaticContact CE1-NE2 3.33Å; F46-H50 VanDerWaalsContact CE1-NE2 3.33Å; F46-H50 WeakPolarHBondContact CE1-NE2 3.32Å; F46-H50 AromaticContact CZ-NE2 3.6Å; F46-H50 PolarHBondContact O-CD2 3.49Å; F46-H50 PolarHBondContact O-N 2.91Å; F46-H50 VanDerWaalsContact O-N 3.12Å; T47-H50 WeakPolarHBondContact O-CB 3.22Å; T47-H50 PolarHBondContact O-N 3.14Å; L48-H50 VanDerWaalsContact C-N 3.35Å; L48-H50 PolarHBondContact O-N 3.29Å |
| 51 | K | 87 | Confident | 83.4 | Confident | 82 Ų | 82 | 52 Ų | 52 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.7 | -34.4 | -178 | -156.4 | 172.3 | -176.9 | 172.7 | 0 | 112.7 | V36 T47 L48 L49 Y117 | V36-K51 HydrophobicContact CG1-CD 3.97Å; T47-K51 PolarHBondContact O-N 3.21Å; L48-K51 PolarHBondContact O-N 3Å; L48-K51 VanDerWaalsContact O-N 3.09Å; L49-K51 VanDerWaalsContact C-N 3.25Å; L49-K51 PolarHBondContact O-N 3.49Å; K51-Y117 HydrophobicContact CB-CE1 4.26Å; K51-Y117 HydrophobicContact CD-CD1 4.13Å; K51-Y117 HydrophobicContact CD-CE1 3.9Å; K51-Y117 HydrophobicContact CG-CE1 3.95Å |
| 52 | V | 89.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.6 | -36.8 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 111 | L48 L49 I54 S55 F56 A59 Y109 I110 Y117 | L48-V52 HydrophobicContact CD1-CG2 3.97Å; L48-V52 HydrophobicContact CG-CG2 4.26Å; L48-V52 VanDerWaalsContact O-CG2 3.32Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 3.07Å; L49-V52 PolarHBondContact O-N 3.14Å; V52-I54 PolarHBondContact O-N 2.86Å; V52-I54 VanDerWaalsContact O-N 3.16Å; V52-S55 PolarHBondContact O-N 3.41Å; V52-S55 PolarHBondContact O-OG 3.14Å; V52-F56 HydrophobicContact CG1-CB 4Å; V52-F56 HydrophobicContact CG1-CD1 4.47Å; V52-F56 WeakPolarHBondContact O-CB 3.29Å; V52-F56 PolarHBondContact O-N 2.75Å; V52-A59 HydrophobicContact CB-CB 4.36Å; V52-A59 HydrophobicContact CG1-CB 3.76Å; V52-Y109 HydrophobicContact CG1-CD1 3.67Å; V52-Y109 HydrophobicContact CG1-CE1 3.92Å; V52-I110 HydrophobicContact CG1-CG1 4.49Å; V52-I110 HydrophobicContact CG2-CD1 4.31Å; V52-I110 HydrophobicContact CG2-CG1 3.88Å; V52-Y117 HydrophobicContact CG2-CE1 4.33Å; V52-Y117 HydrophobicContact CG2-CE2 4.38Å |
| 53 | A | 90.7 | Very high | 87.2 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.6 | -26.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L49 S55 A59 A60 L63 | L49-A53 VanDerWaalsContact O-CB 3.22Å; L49-A53 WeakPolarHBondContact O-CB 3.37Å; L49-A53 PolarHBondContact O-N 3.15Å; A53-S55 VanDerWaalsContact C-N 3.28Å; A53-S55 PolarHBondContact O-N 3.21Å; A53-A59 HydrophobicContact CB-CB 4.34Å; A53-A60 HydrophobicContact CB-CB 4.17Å; A53-L63 HydrophobicContact CB-CB 4.23Å; A53-L63 HydrophobicContact CB-CD2 3.61Å |
| 54 | I | 90 | Very high | 88.7 | Confident | 147 Ų | 147 | 46.2 Ų | 46.2 | 75% | 0.754 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -36.4 | 176.5 | -62.9 | 167.7 | 0 | 0 | 0 | 111.4 | V52 | V52-I54 PolarHBondContact O-N 2.86Å; V52-I54 VanDerWaalsContact O-N 3.16Å |
| 55 | S | 91.1 | Very high | 89.2 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -7.7 | -172.5 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | V52 A53 Y109 | V52-S55 PolarHBondContact O-N 3.41Å; V52-S55 PolarHBondContact O-OG 3.14Å; A53-S55 VanDerWaalsContact C-N 3.28Å; A53-S55 PolarHBondContact O-N 3.21Å; S55-Y109 VanDerWaalsContact CB-OH 3.31Å; S55-Y109 WeakPolarHBondContact CB-OH 3.44Å; S55-Y109 PolarHBondContact OG-OH 3.47Å |
| 56 | F | 93.4 | Very high | 89.3 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | trans | -131.7 | 109.3 | -176.9 | -167.9 | -123.7 | 0 | 0 | 0 | 112.1 | V52 P58 A59 A60 L105 I106 Y109 | V52-F56 HydrophobicContact CG1-CB 4Å; V52-F56 HydrophobicContact CG1-CD1 4.47Å; V52-F56 WeakPolarHBondContact O-CB 3.29Å; V52-F56 PolarHBondContact O-N 2.75Å; F56-P58 HydrophobicContact CD1-CB 4.14Å; F56-P58 HydrophobicContact CD1-CG 4.18Å; F56-P58 HydrophobicContact CE1-CB 3.65Å; F56-P58 HydrophobicContact CE1-CG 3.61Å; F56-P58 HydrophobicContact CE2-CG 4.06Å; F56-P58 HydrophobicContact CZ-CB 4.11Å; F56-P58 HydrophobicContact CZ-CG 3.55Å; F56-A59 HydrophobicContact CB-CB 4.36Å; F56-A59 HydrophobicContact CD1-CB 4Å; F56-A59 WeakPolarHBondContact O-CB 3.36Å; F56-A59 PolarHBondContact O-N 3.41Å; F56-A59 VanDerWaalsContact O-N 3.14Å; F56-A60 PolarHBondContact O-N 3.25Å; F56-L105 HydrophobicContact CE1-CB 4.46Å; F56-L105 HydrophobicContact CZ-CB 4.31Å; F56-I106 HydrophobicContact CD1-CG1 4.31Å; F56-I106 HydrophobicContact CE1-CG1 4.05Å; F56-Y109 HydrophobicContact CB-CD1 4.06Å; F56-Y109 HydrophobicContact CB-CD2 4.19Å; F56-Y109 HydrophobicContact CB-CE1 4.01Å; F56-Y109 HydrophobicContact CB-CE2 4.13Å; F56-Y109 HydrophobicContact CB-CG 4.15Å; F56-Y109 HydrophobicContact CD1-CG 4.12Å; F56-Y109 AromaticContact CD2-CD2 3.49Å; F56-Y109 HydrophobicContact CD2-CD2 3.49Å; F56-Y109 VanDerWaalsContact CD2-CD2 3.49Å; F56-Y109 AromaticContact CD2-CE2 3.89Å; F56-Y109 HydrophobicContact CD2-CE2 3.89Å; F56-Y109 AromaticContact CD2-CG 3.92Å; F56-Y109 HydrophobicContact CD2-CG 3.92Å; F56-Y109 AromaticContact CE2-CD2 3.94Å; F56-Y109 HydrophobicContact CE2-CD2 3.94Å; F56-Y109 HydrophobicContact CE2-CG 4.35Å; F56-Y109 HydrophobicContact CG-CD1 4.19Å; F56-Y109 AromaticContact CG-CD2 3.83Å; F56-Y109 HydrophobicContact CG-CD2 3.83Å; F56-Y109 HydrophobicContact CG-CE2 4.21Å; F56-Y109 AromaticContact CG-CG 3.8Å; F56-Y109 HydrophobicContact CG-CG 3.8Å | ||
| 57 | P | 92.3 | Very high | 89.3 | Confident | 100 Ų | 100 | 46 Ų | 46 | 65% | 0.649 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -57.6 | -39.9 | -174.3 | -24.6 | 32.3 | 0 | 0 | 0 | 116 | A59 A60 S61 | P57-A59 VanDerWaalsContact C-N 3.3Å; P57-A59 PolarHBondContact O-N 2.95Å; P57-A60 WeakPolarHBondContact O-CB 3.36Å; P57-A60 PolarHBondContact O-N 2.91Å; P57-S61 PolarHBondContact O-N 3.24Å |
| 58 | P | 90.9 | Very high | 89.2 | Confident | 35 Ų | 35 | 50 Ų | 50 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | 176 | -26.8 | 36.7 | 0 | 0 | 0 | 113 | F56 A60 S61 V62 V102 | F56-P58 HydrophobicContact CD1-CB 4.14Å; F56-P58 HydrophobicContact CD1-CG 4.18Å; F56-P58 HydrophobicContact CE1-CB 3.65Å; F56-P58 HydrophobicContact CE1-CG 3.61Å; F56-P58 HydrophobicContact CE2-CG 4.06Å; F56-P58 HydrophobicContact CZ-CB 4.11Å; F56-P58 HydrophobicContact CZ-CG 3.55Å; P58-A60 VanDerWaalsContact C-N 3.33Å; P58-A60 PolarHBondContact O-N 3.18Å; P58-S61 PolarHBondContact O-N 2.78Å; P58-V62 PolarHBondContact O-N 3.12Å; P58-V102 HydrophobicContact CB-CB 4.37Å; P58-V102 HydrophobicContact CB-CG1 4.42Å |
| 59 | A | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -34.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L49 V52 A53 F56 P57 V62 L63 I106 | L49-A59 HydrophobicContact CD1-CB 3.91Å; V52-A59 HydrophobicContact CB-CB 4.36Å; V52-A59 HydrophobicContact CG1-CB 3.76Å; A53-A59 HydrophobicContact CB-CB 4.34Å; F56-A59 HydrophobicContact CB-CB 4.36Å; F56-A59 HydrophobicContact CD1-CB 4Å; F56-A59 WeakPolarHBondContact O-CB 3.36Å; F56-A59 PolarHBondContact O-N 3.41Å; F56-A59 VanDerWaalsContact O-N 3.14Å; P57-A59 VanDerWaalsContact C-N 3.3Å; P57-A59 PolarHBondContact O-N 2.95Å; A59-V62 PolarHBondContact O-N 2.94Å; A59-L63 VanDerWaalsContact O-CB 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.33Å; A59-L63 PolarHBondContact O-N 2.71Å; A59-I106 HydrophobicContact CB-CD1 4.3Å; A59-I106 HydrophobicContact CB-CG1 4.2Å |
| 60 | A | 91.7 | Very high | 88 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 33% | 0.331 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A53 F56 P57 P58 L63 R64 | A53-A60 HydrophobicContact CB-CB 4.17Å; F56-A60 PolarHBondContact O-N 3.25Å; P57-A60 WeakPolarHBondContact O-CB 3.36Å; P57-A60 PolarHBondContact O-N 2.91Å; P58-A60 VanDerWaalsContact C-N 3.33Å; P58-A60 PolarHBondContact O-N 3.18Å; A60-L63 PolarHBondContact O-N 3.35Å; A60-R64 PolarHBondContact O-N 2.88Å |
| 61 | S | 92.2 | Very high | 87.4 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -50.3 | 175.1 | -169 | 0 | 0 | 0 | 0 | 111.5 | P57 P58 L63 R64 L65 | P57-S61 PolarHBondContact O-N 3.24Å; P58-S61 PolarHBondContact O-N 2.78Å; S61-L63 VanDerWaalsContact C-N 3.31Å; S61-L63 PolarHBondContact O-N 3.05Å; S61-R64 PolarHBondContact O-N 3.35Å; S61-L65 PolarHBondContact O-N 3.44Å |
| 62 | V | 90.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -41 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | L49 P58 A59 R64 L65 T66 W93 L96 A97 V102 I106 | L49-V62 HydrophobicContact CD2-CG1 4.25Å; P58-V62 PolarHBondContact O-N 3.12Å; A59-V62 PolarHBondContact O-N 2.94Å; V62-R64 PolarHBondContact O-N 3.15Å; V62-L65 PolarHBondContact O-N 3.2Å; V62-T66 WeakPolarHBondContact O-CB 3.4Å; V62-T66 PolarHBondContact O-N 2.64Å; V62-T66 PolarHBondContact O-OG1 2.88Å; V62-W93 HydrophobicContact CG1-CB 4.31Å; V62-W93 HydrophobicContact CG1-CE3 4.36Å; V62-L96 HydrophobicContact CG1-CB 4.47Å; V62-A97 HydrophobicContact CG1-CB 4.05Å; V62-A97 HydrophobicContact CG2-CB 4.01Å; V62-V102 HydrophobicContact CG2-CG2 3.49Å; V62-V102 VanDerWaalsContact CG2-CG2 3.49Å; V62-I106 HydrophobicContact CB-CD1 4.37Å; V62-I106 HydrophobicContact CG2-CD1 3.91Å |
| 63 | L | 90.6 | Very high | 85.4 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 177.3 | -179.6 | 65.3 | 0 | 0 | 0 | 111.6 | F46 L49 A53 A59 A60 S61 T66 V67 | F46-L63 HydrophobicContact CE2-CD1 3.9Å; F46-L63 HydrophobicContact CZ-CD1 3.97Å; L49-L63 HydrophobicContact CD2-CB 4.1Å; L49-L63 HydrophobicContact CD2-CD1 3.91Å; L49-L63 HydrophobicContact CG-CB 4.24Å; L49-L63 HydrophobicContact CG-CD1 4.22Å; A53-L63 HydrophobicContact CB-CB 4.23Å; A53-L63 HydrophobicContact CB-CD2 3.61Å; A59-L63 VanDerWaalsContact O-CB 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.33Å; A59-L63 PolarHBondContact O-N 2.71Å; A60-L63 PolarHBondContact O-N 3.35Å; S61-L63 VanDerWaalsContact C-N 3.31Å; S61-L63 PolarHBondContact O-N 3.05Å; L63-T66 PolarHBondContact O-N 3.15Å; L63-V67 HydrophobicContact CD1-CG2 4.4Å; L63-V67 WeakPolarHBondContact O-CG2 3.42Å; L63-V67 PolarHBondContact O-N 2.89Å |
| 64 | R | 89.7 | Confident | 84 | Confident | 169 Ų | 169 | 68.9 Ų | 68.9 | 64% | 0.638 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.5 | -48 | 176.9 | -174.9 | -177.6 | 67 | -168.2 | -1.4 | 111.4 | A60 S61 V62 T66 V67 E68 | A60-R64 PolarHBondContact O-N 2.88Å; S61-R64 PolarHBondContact O-N 3.35Å; V62-R64 PolarHBondContact O-N 3.15Å; R64-T66 VanDerWaalsContact C-N 3.33Å; R64-T66 PolarHBondContact O-N 3.02Å; R64-V67 PolarHBondContact O-N 3.26Å; R64-E68 WeakPolarHBondContact O-CB 3.38Å; R64-E68 PolarHBondContact O-N 3.32Å |
| 65 | L | 85.6 | Confident | 82.6 | Confident | 41 Ų | 41 | 70 Ų | 70 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 177.3 | -70.8 | 170.4 | 0 | 0 | 0 | 111.8 | S61 V62 E68 V69 L96 E100 | S61-L65 PolarHBondContact O-N 3.44Å; V62-L65 PolarHBondContact O-N 3.2Å; L65-E68 PolarHBondContact O-N 3Å; L65-V69 WeakPolarHBondContact O-CG2 3.27Å; L65-V69 PolarHBondContact O-N 2.87Å; L65-L96 HydrophobicContact CB-CD1 4.4Å; L65-E100 HydrophobicContact CD1-CG 3.86Å |
| 66 | T | 85.6 | Confident | 81.1 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 179.7 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | F46 V62 L63 R64 E68 V69 E70 L92 W93 L96 | F46-T66 HydrophobicContact CD2-CG2 4.28Å; F46-T66 HydrophobicContact CE2-CG2 3.57Å; F46-T66 HydrophobicContact CZ-CG2 4.34Å; V62-T66 WeakPolarHBondContact O-CB 3.4Å; V62-T66 PolarHBondContact O-N 2.64Å; V62-T66 PolarHBondContact O-OG1 2.88Å; L63-T66 PolarHBondContact O-N 3.15Å; R64-T66 VanDerWaalsContact C-N 3.33Å; R64-T66 PolarHBondContact O-N 3.02Å; T66-E68 VanDerWaalsContact C-N 3.3Å; T66-E68 PolarHBondContact O-N 3.43Å; T66-V69 PolarHBondContact O-N 3.43Å; T66-E70 HydrophobicContact CG2-CG 4.46Å; T66-E70 WeakPolarHBondContact O-CB 3.48Å; T66-E70 WeakPolarHBondContact O-CG 3.39Å; T66-E70 PolarHBondContact O-N 2.96Å; T66-L92 HydrophobicContact CG2-CB 4.35Å; T66-L92 HydrophobicContact CG2-CD2 3.86Å; T66-L92 HydrophobicContact CG2-CG 4.01Å; T66-W93 HydrophobicContact CG2-CB 3.91Å; T66-W93 WeakPolarHBondContact OG1-CB 3.41Å; T66-L96 HydrophobicContact CG2-CD1 4.46Å |
| 67 | V | 85.5 | Confident | 79.8 | Confident | 48 Ų | 48 | 74.2 Ų | 74.2 | 29% | 0.291 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -35.5 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | F46 L63 R64 R71 | F46-V67 HydrophobicContact CZ-CG2 4.35Å; L63-V67 HydrophobicContact CD1-CG2 4.4Å; L63-V67 WeakPolarHBondContact O-CG2 3.42Å; L63-V67 PolarHBondContact O-N 2.89Å; R64-V67 PolarHBondContact O-N 3.26Å; V67-R71 WeakPolarHBondContact O-CG 3.46Å; V67-R71 PolarHBondContact O-N 2.98Å |
| 68 | E | 81 | Confident | 78.7 | Confident | 117 Ų | 117 | 74.9 Ų | 74.9 | 55% | 0.547 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | 175.5 | -173.9 | 172.3 | -172.7 | 0 | 0 | 111.8 | R64 L65 T66 R71 | R64-E68 WeakPolarHBondContact O-CB 3.38Å; R64-E68 PolarHBondContact O-N 3.32Å; L65-E68 PolarHBondContact O-N 3Å; T66-E68 VanDerWaalsContact C-N 3.3Å; T66-E68 PolarHBondContact O-N 3.43Å; E68-R71 PolarHBondContact O-N 2.98Å |
| 69 | V | 76.5 | Confident | 77.5 | Confident | 60 Ų | 60 | 82 Ų | 82 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 177.3 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | L65 T66 R71 T72 L92 L96 | L65-V69 WeakPolarHBondContact O-CG2 3.27Å; L65-V69 PolarHBondContact O-N 2.87Å; T66-V69 PolarHBondContact O-N 3.43Å; V69-R71 PolarHBondContact O-N 2.96Å; V69-T72 WeakPolarHBondContact O-CB 3.49Å; V69-T72 PolarHBondContact O-N 3.3Å; V69-T72 VanDerWaalsContact O-N 3.14Å; V69-T72 PolarHBondContact O-OG1 3.17Å; V69-L92 HydrophobicContact CB-CD2 4.19Å; V69-L92 HydrophobicContact CG1-CD1 4.12Å; V69-L92 HydrophobicContact CG1-CD2 3.91Å; V69-L96 HydrophobicContact CG2-CD1 4.41Å |
| 70 | E | 75.4 | Confident | 76 | Confident | 73 Ų | 73 | 88.9 Ų | 88.9 | 34% | 0.341 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.9 | -24.5 | 179.4 | -80 | -167.9 | 152.3 | 0 | 0 | 114.3 | T66 T72 R89 L92 | T66-E70 HydrophobicContact CG2-CG 4.46Å; T66-E70 WeakPolarHBondContact O-CB 3.48Å; T66-E70 WeakPolarHBondContact O-CG 3.39Å; T66-E70 PolarHBondContact O-N 2.96Å; E70-T72 PolarHBondContact O-N 3.29Å; E70-R89 PolarHBondContact O-NH1 3.09Å; E70-L92 HydrophobicContact CG-CD2 3.77Å |
| 71 | R | 74.1 | Confident | 74.5 | Confident | 200 Ų | 200 | 91 Ų | 91 | 76% | 0.755 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.3 | 176.2 | -74.1 | 172 | 179.6 | 171.1 | 0.3 | 113.4 | V67 E68 V69 | V67-R71 WeakPolarHBondContact O-CG 3.46Å; V67-R71 PolarHBondContact O-N 2.98Å; E68-R71 PolarHBondContact O-N 2.98Å; V69-R71 PolarHBondContact O-N 2.96Å |
| 72 | T | 68.4 | Low | 73 | Confident | 77 Ų | 77 | 93.4 Ų | 93.4 | 47% | 0.472 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -68.8 | 134.2 | 173.9 | 62.4 | 0 | 0 | 0 | 0 | 109.6 | V69 E70 R89 | V69-T72 WeakPolarHBondContact O-CB 3.49Å; V69-T72 PolarHBondContact O-N 3.3Å; V69-T72 VanDerWaalsContact O-N 3.14Å; V69-T72 PolarHBondContact O-OG1 3.17Å; E70-T72 PolarHBondContact O-N 3.29Å; T72-R89 PolarHBondContact O-NH2 3.43Å |
| 73 | P | 65.4 | Low | 71.5 | Confident | 110 Ų | 110 | 97.5 Ų | 97.5 | 71% | 0.714 | 48% | 0.478 | S | S | * | . | trans | -62.4 | 147.4 | 175.7 | -20.9 | 31.7 | 0 | 0 | 0 | 112.1 | E75 | P73-E75 PolarHBondContact O-N 2.71Š| ||
| 74 | L | 63.2 | Low | 70.3 | Confident | 61 Ų | 61 | 104.6 Ų | 104.6 | 32% | 0.319 | 50% | 0.503 | S | S | . | . | trans | -82.9 | 107 | 165.5 | -76.8 | 176.7 | 0 | 0 | 0 | 108.7 | F82 L85 R89 | L74-F82 HydrophobicContact CD1-CE2 4.39Å; L74-L85 HydrophobicContact CD2-CB 3.89Å; L74-L85 HydrophobicContact CD2-CD1 4.26Å; L74-L85 HydrophobicContact CD2-CD2 4.31Å; L74-L85 HydrophobicContact CD2-CG 4.38Å; L74-R89 VanDerWaalsContact CG-NE 3.32Å | ||
| 75 | E | 60.5 | Low | 69.2 | Low | 171 Ų | 171 | 98.5 Ų | 98.5 | 80% | 0.799 | 48% | 0.483 | S | S | * | . | trans | -92.8 | 123.5 | 162.4 | -64.4 | -176.4 | 176.7 | 0 | 0 | 107.7 | P73 | P73-E75 PolarHBondContact O-N 2.71Š| ||
| 76 | A | 59.9 | Low | 68.3 | Low | 34 Ų | 34 | 102.9 Ų | 102.9 | 28% | 0.281 | 50% | 0.497 | S | S | . | . | trans | -140.9 | 130.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | E81 F82 L85 | A76-E81 HydrophobicContact CB-CG 4.45Å; A76-F82 HydrophobicContact CB-CB 3.96Å; A76-F82 HydrophobicContact CB-CD2 3.91Å; A76-F82 HydrophobicContact CB-CG 4.46Å; A76-L85 HydrophobicContact CB-CD1 3.84Å | ||
| 77 | N | 65.5 | Low | 67.4 | Low | 148 Ų | 148 | 105.8 Ų | 105.8 | 79% | 0.791 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -82.5 | -28.7 | -179.6 | -70.8 | -27.4 | 0 | 0 | 0 | 111.1 | E81 | N77-E81 PolarHBondContact N-OE2 2.9Š|
| 78 | N | 67.7 | Low | 66.5 | Low | 114 Ų | 114 | 107.7 Ų | 107.7 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -130.7 | 156.6 | -172.4 | -67.7 | -20.8 | 0 | 0 | 0 | 113.5 | E80 E81 F82 | N78-E80 PolarHBondContact O-N 3.4Å; N78-E81 HydrophobicContact CB-CB 4.31Å; N78-E81 PolarHBondContact O-N 2.84Å; N78-F82 WeakPolarHBondContact O-CB 3.35Å; N78-F82 PolarHBondContact O-N 3.32Å |
| 79 | K | 67.3 | Low | 66.2 | Low | 184 Ų | 184 | 105.4 Ų | 105.4 | 80% | 0.8 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -42.9 | 176.1 | -92 | -177.5 | 175.9 | 176.3 | 0 | 113.4 | E81 F82 D83 | K79-E81 VanDerWaalsContact C-N 3.32Å; K79-E81 PolarHBondContact O-N 3.36Å; K79-F82 WeakPolarHBondContact O-CB 3.22Å; K79-F82 PolarHBondContact O-N 3.06Å; K79-D83 PolarHBondContact O-N 3.41Å |
| 80 | E | 59.4 | Low | 66 | Low | 145 Ų | 145 | 108.8 Ų | 108.8 | 68% | 0.678 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | 178.8 | -68.7 | -172.4 | 170.4 | 0 | 0 | 112.1 | N78 D83 R84 | N78-E80 PolarHBondContact O-N 3.4Å; E80-D83 PolarHBondContact O-N 3.42Å; E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 3.48Å |
| 81 | E | 60.5 | Low | 66.4 | Low | 86 Ų | 86 | 105.3 Ų | 105.3 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 175 | -173.7 | 175.9 | -150.7 | 0 | 0 | 110.6 | A76 N77 N78 K79 D83 R84 L85 | A76-E81 HydrophobicContact CB-CG 4.45Å; N77-E81 PolarHBondContact N-OE2 2.9Å; N78-E81 HydrophobicContact CB-CB 4.31Å; N78-E81 PolarHBondContact O-N 2.84Å; K79-E81 VanDerWaalsContact C-N 3.32Å; K79-E81 PolarHBondContact O-N 3.36Å; E81-D83 PolarHBondContact O-N 3.3Å; E81-R84 PolarHBondContact O-N 3.31Å; E81-L85 HydrophobicContact CG-CD1 4.01Å; E81-L85 WeakPolarHBondContact O-CB 3.26Å; E81-L85 VanDerWaalsContact O-CG 3.24Å; E81-L85 WeakPolarHBondContact O-CG 3.38Å; E81-L85 PolarHBondContact O-N 3.34Å |
| 82 | F | 61.3 | Low | 66.9 | Low | 97 Ų | 97 | 97.1 Ų | 97.1 | 43% | 0.425 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 174.1 | -169 | -93.6 | 0 | 0 | 0 | 112.5 | L74 A76 N78 K79 L85 R86 | L74-F82 HydrophobicContact CD1-CE2 4.39Å; A76-F82 HydrophobicContact CB-CB 3.96Å; A76-F82 HydrophobicContact CB-CD2 3.91Å; A76-F82 HydrophobicContact CB-CG 4.46Å; N78-F82 WeakPolarHBondContact O-CB 3.35Å; N78-F82 PolarHBondContact O-N 3.32Å; K79-F82 WeakPolarHBondContact O-CB 3.22Å; K79-F82 PolarHBondContact O-N 3.06Å; F82-L85 PolarHBondContact O-N 2.98Å; F82-R86 VanDerWaalsContact O-CB 3.29Å; F82-R86 WeakPolarHBondContact O-CB 3.38Å; F82-R86 PolarHBondContact O-N 3.43Å |
| 83 | D | 58.7 | Low | 67.9 | Low | 87 Ų | 87 | 93.6 Ų | 93.6 | 47% | 0.465 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.4 | -37.6 | 177.1 | -79.6 | -33.4 | 0 | 0 | 0 | 112.8 | K79 E80 E81 R86 T87 | K79-D83 PolarHBondContact O-N 3.41Å; E80-D83 PolarHBondContact O-N 3.42Å; E81-D83 PolarHBondContact O-N 3.3Å; D83-R86 PolarHBondContact O-N 3.02Å; D83-T87 PolarHBondContact O-N 3.24Å; D83-T87 PolarHBondContact O-OG1 3.02Å |
| 84 | R | 64.6 | Low | 69.1 | Low | 173 Ų | 173 | 88.4 Ų | 88.4 | 65% | 0.653 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.8 | -46.9 | 171 | -75.1 | 179.4 | -175.5 | -176.5 | 4.5 | 110.9 | E80 E81 R86 T87 R88 | E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 3.48Å; E81-R84 PolarHBondContact O-N 3.31Å; R84-R86 VanDerWaalsContact C-N 3.33Å; R84-R86 PolarHBondContact O-N 3.14Å; R84-T87 PolarHBondContact O-N 3.03Å; R84-R88 WeakPolarHBondContact O-CB 3.48Å; R84-R88 VanDerWaalsContact O-CG 3.29Å; R84-R88 WeakPolarHBondContact O-CG 3.34Å; R84-R88 PolarHBondContact O-N 2.79Å |
| 85 | L | 67 | Low | 70.3 | Confident | 41 Ų | 41 | 86.9 Ų | 86.9 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63 | -38 | 176.7 | -73.6 | 167.4 | 0 | 0 | 0 | 111.9 | L74 A76 E81 F82 R88 R89 | L74-L85 HydrophobicContact CD2-CB 3.89Å; L74-L85 HydrophobicContact CD2-CD1 4.26Å; L74-L85 HydrophobicContact CD2-CD2 4.31Å; L74-L85 HydrophobicContact CD2-CG 4.38Å; A76-L85 HydrophobicContact CB-CD1 3.84Å; E81-L85 HydrophobicContact CG-CD1 4.01Å; E81-L85 WeakPolarHBondContact O-CB 3.26Å; E81-L85 VanDerWaalsContact O-CG 3.24Å; E81-L85 WeakPolarHBondContact O-CG 3.38Å; E81-L85 PolarHBondContact O-N 3.34Å; F82-L85 PolarHBondContact O-N 2.98Å; L85-R88 WeakPolarHBondContact O-CB 3.25Å; L85-R88 PolarHBondContact O-N 2.86Å; L85-R89 WeakPolarHBondContact O-CG 3.33Å; L85-R89 PolarHBondContact O-N 3.3Å |
| 86 | R | 67.7 | Low | 71.6 | Confident | 133 Ų | 133 | 80.4 Ų | 80.4 | 50% | 0.502 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 175.8 | -166.9 | 179.5 | -170.7 | -162.7 | 5.1 | 112.2 | F82 D83 R84 R88 R89 K90 | F82-R86 VanDerWaalsContact O-CB 3.29Å; F82-R86 WeakPolarHBondContact O-CB 3.38Å; F82-R86 PolarHBondContact O-N 3.43Å; D83-R86 PolarHBondContact O-N 3.02Å; R84-R86 VanDerWaalsContact C-N 3.33Å; R84-R86 PolarHBondContact O-N 3.14Å; R86-R88 VanDerWaalsContact C-N 3.34Å; R86-R89 PolarHBondContact O-N 3.46Å; R86-K90 PolarHBondContact O-N 3.42Å; R86-K90 VanDerWaalsContact O-N 3.1Å |
| 87 | T | 65.5 | Low | 73 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.1 | -37 | 175.5 | -48.1 | 0 | 0 | 0 | 0 | 110.9 | D83 R84 K90 L91 | D83-T87 PolarHBondContact O-N 3.24Å; D83-T87 PolarHBondContact O-OG1 3.02Å; R84-T87 PolarHBondContact O-N 3.03Å; T87-K90 PolarHBondContact O-N 2.65Å; T87-L91 PolarHBondContact O-N 2.89Å |
| 88 | R | 67.6 | Low | 74.2 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 172 | -77.4 | 177.8 | 179 | -156 | 1 | 111.8 | R84 L85 R86 L91 L92 R95 E148 | R84-R88 WeakPolarHBondContact O-CB 3.48Å; R84-R88 VanDerWaalsContact O-CG 3.29Å; R84-R88 WeakPolarHBondContact O-CG 3.34Å; R84-R88 PolarHBondContact O-N 2.79Å; L85-R88 WeakPolarHBondContact O-CB 3.25Å; L85-R88 PolarHBondContact O-N 2.86Å; R86-R88 VanDerWaalsContact C-N 3.34Å; R88-L91 CarbonylContact O-C 3.54Å; R88-L91 PolarHBondContact O-N 3.49Å; R88-L92 PolarHBondContact O-N 2.89Å; R88-L92 VanDerWaalsContact O-N 3.11Å; R88-R95 PolarHBondContact O-NH1 2.96Å; R88-E148 IonicContact NH1-OE1 2.64Å; R88-E148 PolarHBondContact NH1-OE1 3.24Å |
| 89 | R | 73.2 | Confident | 75 | Confident | 70 Ų | 70 | 67.9 Ų | 67.9 | 26% | 0.264 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 177.8 | -78.3 | -161.8 | 179.2 | -155.5 | -3.3 | 113.9 | E70 T72 L74 L85 R86 L91 L92 | E70-R89 PolarHBondContact O-NH1 3.09Å; T72-R89 PolarHBondContact O-NH2 3.43Å; L74-R89 VanDerWaalsContact CG-NE 3.32Å; L85-R89 WeakPolarHBondContact O-CG 3.33Å; L85-R89 PolarHBondContact O-N 3.3Å; R86-R89 PolarHBondContact O-N 3.46Å; R89-L91 PolarHBondContact O-N 3.04Å; R89-L92 WeakPolarHBondContact O-CB 3.39Å; R89-L92 PolarHBondContact O-N 3.23Å; R89-L92 VanDerWaalsContact O-N 3.14Å |
| 90 | K | 73.4 | Confident | 76 | Confident | 131 Ų | 131 | 63.1 Ų | 63.1 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -56.3 | -39.2 | 176.3 | -74.5 | -179.9 | -179.8 | 179.7 | 0 | 112.6 | R86 T87 | R86-K90 PolarHBondContact O-N 3.42Å; R86-K90 VanDerWaalsContact O-N 3.1Å; T87-K90 PolarHBondContact O-N 2.65Å |
| 91 | L | 82.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 6.9 | -177.1 | -69.2 | 169.1 | 0 | 0 | 0 | 113.5 | C21 L22 E25 T87 R88 R89 W93 I94 R95 | C21-L91 HydrophobicContact CB-CB 4.43Å; C21-L91 HydrophobicContact CB-CD1 4.26Å; C21-L91 HydrophobicContact CB-CD2 4.18Å; C21-L91 WeakPolarHBondContact O-CD2 3.49Å; L22-L91 HydrophobicContact CD2-CD1 3.68Å; L22-L91 HydrophobicContact CD2-CD2 4.37Å; L22-L91 HydrophobicContact CD2-CG 4.43Å; L22-L91 HydrophobicContact CG-CD1 3.69Å; E25-L91 HydrophobicContact CB-CD2 3.61Å; E25-L91 VanDerWaalsContact CD-CD2 3.49Å; E25-L91 HydrophobicContact CG-CD2 4.1Å; E25-L91 WeakPolarHBondContact OE2-CD2 3.42Å; T87-L91 PolarHBondContact O-N 2.89Å; R88-L91 CarbonylContact O-C 3.54Å; R88-L91 PolarHBondContact O-N 3.49Å; R89-L91 PolarHBondContact O-N 3.04Å; L91-W93 PolarHBondContact O-N 2.93Å; L91-I94 HydrophobicContact CD2-CD1 4.15Å; L91-I94 PolarHBondContact O-N 2.99Å; L91-I94 VanDerWaalsContact O-N 3.16Å; L91-R95 PolarHBondContact O-N 3.47Å |
| 92 | L | 84.9 | Confident | 79 | Confident | 27 Ų | 27 | 57.6 Ų | 57.6 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -47 | -167.1 | 179.6 | 61.6 | 0 | 0 | 0 | 112.1 | T66 V69 E70 R88 R89 I94 R95 L96 | T66-L92 HydrophobicContact CG2-CB 4.35Å; T66-L92 HydrophobicContact CG2-CD2 3.86Å; T66-L92 HydrophobicContact CG2-CG 4.01Å; V69-L92 HydrophobicContact CB-CD2 4.19Å; V69-L92 HydrophobicContact CG1-CD1 4.12Å; V69-L92 HydrophobicContact CG1-CD2 3.91Å; E70-L92 HydrophobicContact CG-CD2 3.77Å; R88-L92 PolarHBondContact O-N 2.89Å; R88-L92 VanDerWaalsContact O-N 3.11Å; R89-L92 WeakPolarHBondContact O-CB 3.39Å; R89-L92 PolarHBondContact O-N 3.23Å; R89-L92 VanDerWaalsContact O-N 3.14Å; L92-I94 VanDerWaalsContact C-N 3.33Å; L92-I94 PolarHBondContact O-N 3Å; L92-R95 PolarHBondContact O-N 3.45Å; L92-L96 HydrophobicContact CD1-CD1 4.16Å; L92-L96 HydrophobicContact CD1-CG 4.27Å; L92-L96 HydrophobicContact CG-CD1 3.99Å; L92-L96 HydrophobicContact CG-CG 4.49Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 3.05Å |
| 93 | W | 89.8 | Confident | 80.5 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -34.2 | -178.1 | 80.5 | -93.3 | 0 | 0 | 0 | 112.8 | L28 T45 F46 L49 V62 T66 L91 L96 A97 L103 I106 | L28-W93 HydrophobicContact CD1-CH2 3.7Å; L28-W93 HydrophobicContact CD1-CZ2 3.8Å; T45-W93 PolarHBondContact OG1-NE1 3.37Å; F46-W93 HydrophobicContact CD2-CB 4.27Å; F46-W93 AromaticContact CD2-CD1 3.96Å; F46-W93 HydrophobicContact CD2-CG 4.29Å; L49-W93 HydrophobicContact CB-CD2 4.32Å; L49-W93 HydrophobicContact CD1-CD2 4.48Å; L49-W93 HydrophobicContact CD1-CE3 3.88Å; L49-W93 HydrophobicContact CD1-CZ3 4.12Å; L49-W93 HydrophobicContact CD2-CB 3.63Å; L49-W93 HydrophobicContact CD2-CD2 3.88Å; L49-W93 HydrophobicContact CD2-CE3 3.95Å; L49-W93 HydrophobicContact CD2-CG 3.77Å; L49-W93 HydrophobicContact CG-CD2 4.46Å; L49-W93 HydrophobicContact CG-CE3 4.34Å; V62-W93 HydrophobicContact CG1-CB 4.31Å; V62-W93 HydrophobicContact CG1-CE3 4.36Å; T66-W93 HydrophobicContact CG2-CB 3.91Å; T66-W93 WeakPolarHBondContact OG1-CB 3.41Å; L91-W93 PolarHBondContact O-N 2.93Å; W93-L96 PolarHBondContact O-N 3.47Å; W93-A97 HydrophobicContact CE3-CB 4.43Å; W93-A97 VanDerWaalsContact O-CB 3.25Å; W93-A97 WeakPolarHBondContact O-CB 3.48Å; W93-A97 PolarHBondContact O-N 2.99Å; W93-L103 HydrophobicContact CZ3-CD1 4.2Å; W93-I106 HydrophobicContact CZ3-CG2 4.3Å |
| 94 | I | 91.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.3 | -42.8 | 177.1 | -60.1 | 178.6 | 0 | 0 | 0 | 109.4 | C21 V24 E25 L91 L92 A97 L98 L103 | C21-I94 HydrophobicContact CB-CG2 4.03Å; V24-I94 HydrophobicContact CB-CG2 4.19Å; V24-I94 HydrophobicContact CG1-CD1 4.36Å; V24-I94 HydrophobicContact CG1-CG2 4.03Å; E25-I94 HydrophobicContact CB-CD1 3.74Å; E25-I94 HydrophobicContact CG-CD1 4.4Å; L91-I94 HydrophobicContact CD2-CD1 4.15Å; L91-I94 PolarHBondContact O-N 2.99Å; L91-I94 VanDerWaalsContact O-N 3.16Å; L92-I94 VanDerWaalsContact C-N 3.33Å; L92-I94 PolarHBondContact O-N 3Å; I94-A97 PolarHBondContact O-N 3.17Å; I94-L98 WeakPolarHBondContact O-CB 3.41Å; I94-L98 PolarHBondContact O-N 3.45Å; I94-L103 HydrophobicContact CG2-CD1 4.07Å; I94-L103 HydrophobicContact CG2-CD2 3.83Å |
| 95 | R | 87.8 | Confident | 83.5 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -48.6 | 174.5 | -77.9 | -167.7 | -178.6 | 87.5 | -2.1 | 111.7 | I17 T18 C21 R88 L91 L92 A97 L98 V99 | I17-R95 HydrophobicContact CG2-CG 4.47Å; T18-R95 VanDerWaalsContact CB-NH2 3.32Å; T18-R95 PolarHBondContact OG1-NH2 3.3Å; C21-R95 HydrophobicContact CB-CG 4.36Å; C21-R95 WeakPolarHBondContact SG-CG 3.41Å; R88-R95 PolarHBondContact O-NH1 2.96Å; L91-R95 PolarHBondContact O-N 3.47Å; L92-R95 PolarHBondContact O-N 3.45Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 3.43Å; R95-L98 WeakPolarHBondContact O-CB 3.35Å; R95-L98 PolarHBondContact O-N 3.45Å; R95-L98 VanDerWaalsContact O-N 3.13Å; R95-V99 WeakPolarHBondContact O-CG2 3.35Å; R95-V99 PolarHBondContact O-N 3.49Å |
| 96 | L | 87.3 | Confident | 84.8 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 177.9 | -72.3 | 172.7 | 0 | 0 | 0 | 111.4 | V62 L65 T66 V69 L92 W93 L98 V99 E100 | V62-L96 HydrophobicContact CG1-CB 4.47Å; L65-L96 HydrophobicContact CB-CD1 4.4Å; T66-L96 HydrophobicContact CG2-CD1 4.46Å; V69-L96 HydrophobicContact CG2-CD1 4.41Å; L92-L96 HydrophobicContact CD1-CD1 4.16Å; L92-L96 HydrophobicContact CD1-CG 4.27Å; L92-L96 HydrophobicContact CG-CD1 3.99Å; L92-L96 HydrophobicContact CG-CG 4.49Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 3.05Å; W93-L96 PolarHBondContact O-N 3.47Å; L96-L98 VanDerWaalsContact C-N 3.26Å; L96-L98 PolarHBondContact O-N 2.86Å; L96-V99 PolarHBondContact O-N 3.45Å; L96-E100 VanDerWaalsContact O-CB 3.26Å; L96-E100 WeakPolarHBondContact O-CB 3.46Å; L96-E100 VanDerWaalsContact O-CG 3.25Å; L96-E100 WeakPolarHBondContact O-CG 3.37Å; L96-E100 PolarHBondContact O-N 3.01Å |
| 97 | A | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -34.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V62 W93 I94 R95 K101 V102 L103 I106 | V62-A97 HydrophobicContact CG1-CB 4.05Å; V62-A97 HydrophobicContact CG2-CB 4.01Å; W93-A97 HydrophobicContact CE3-CB 4.43Å; W93-A97 VanDerWaalsContact O-CB 3.25Å; W93-A97 WeakPolarHBondContact O-CB 3.48Å; W93-A97 PolarHBondContact O-N 2.99Å; I94-A97 PolarHBondContact O-N 3.17Å; R95-A97 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 3.43Å; A97-K101 PolarHBondContact O-N 3.28Å; A97-V102 HydrophobicContact CB-CG2 4.35Å; A97-V102 PolarHBondContact O-N 2.95Å; A97-L103 HydrophobicContact CB-CB 3.79Å; A97-L103 HydrophobicContact CB-CD1 3.91Å; A97-L103 HydrophobicContact CB-CG 4.41Å; A97-L103 PolarHBondContact O-N 3.16Å; A97-I106 HydrophobicContact CB-CD1 4.1Å |
| 98 | L | 90 | Very high | 87.1 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.2 | -45.4 | 176.6 | -177.2 | 67 | 0 | 0 | 0 | 111.2 | I17 L20 I94 R95 L96 K101 L103 P140 Y145 | I17-L98 HydrophobicContact CG2-CD2 4.06Å; L20-L98 HydrophobicContact CD2-CD2 4.12Å; I94-L98 WeakPolarHBondContact O-CB 3.41Å; I94-L98 PolarHBondContact O-N 3.45Å; R95-L98 WeakPolarHBondContact O-CB 3.35Å; R95-L98 PolarHBondContact O-N 3.45Å; R95-L98 VanDerWaalsContact O-N 3.13Å; L96-L98 VanDerWaalsContact C-N 3.26Å; L96-L98 PolarHBondContact O-N 2.86Å; L98-K101 PolarHBondContact O-N 3.31Å; L98-K101 VanDerWaalsContact O-N 3.11Å; L98-L103 HydrophobicContact CB-CD2 4.1Å; L98-L103 HydrophobicContact CD1-CD2 4.19Å; L98-P140 HydrophobicContact CD1-CB 3.82Å; L98-Y145 HydrophobicContact CD1-CE2 4.34Å; L98-Y145 HydrophobicContact CD2-CE2 4.38Å; L98-Y145 HydrophobicContact CG-CE2 3.82Å |
| 99 | V | 84.9 | Confident | 88.3 | Confident | 32 Ų | 32 | 34.2 Ų | 34.2 | 19% | 0.194 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 178.2 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | E12 R95 L96 K101 Y145 | E12-V99 HydrophobicContact CG-CG2 3.95Å; R95-V99 WeakPolarHBondContact O-CG2 3.35Å; R95-V99 PolarHBondContact O-N 3.49Å; L96-V99 PolarHBondContact O-N 3.45Å; V99-K101 PolarHBondContact O-N 3.26Å; V99-Y145 HydrophobicContact CG2-CD2 4.3Å; V99-Y145 HydrophobicContact CG2-CG 4.33Å |
| 100 | E | 88.3 | Confident | 89.2 | Confident | 85 Ų | 85 | 31 Ų | 31 | 40% | 0.397 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -0.1 | 174.2 | -67.7 | -66.2 | 136.3 | 0 | 0 | 112.8 | L65 L96 V102 | L65-E100 HydrophobicContact CD1-CG 3.86Å; L96-E100 VanDerWaalsContact O-CB 3.26Å; L96-E100 WeakPolarHBondContact O-CB 3.46Å; L96-E100 VanDerWaalsContact O-CG 3.25Å; L96-E100 WeakPolarHBondContact O-CG 3.37Å; L96-E100 PolarHBondContact O-N 3.01Å; E100-V102 VanDerWaalsContact C-N 3.26Å; E100-V102 HydrophobicContact CB-CG2 3.97Å; E100-V102 PolarHBondContact O-N 3.33Å |
| 101 | K | 90.3 | Very high | 90 | Very high | 85 Ų | 85 | 25.4 Ų | 25.4 | 37% | 0.37 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 34.9 | 176.9 | -47.5 | -169.6 | -179.8 | -162.2 | 0 | 113.8 | A97 L98 V99 C141 L143 | A97-K101 PolarHBondContact O-N 3.28Å; L98-K101 PolarHBondContact O-N 3.31Å; L98-K101 VanDerWaalsContact O-N 3.11Å; V99-K101 PolarHBondContact O-N 3.26Å; K101-C141 VanDerWaalsContact CB-O 3.25Å; K101-C141 WeakPolarHBondContact CB-O 3.5Å; K101-C141 VanDerWaalsContact CD-O 3.26Å; K101-C141 WeakPolarHBondContact CD-O 3.39Å; K101-C141 WeakPolarHBondContact CG-O 3.43Å; K101-L143 WeakPolarHBondContact CE-O 3.29Å; K101-L143 PolarHBondContact NZ-O 3.13Å; K101-L143 VanDerWaalsContact NZ-O 3.13Å |
| 102 | V | 92.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 18% | 0.176 | 15% | 0.153 | C | C | . | . | trans | -123.8 | 0.5 | -179.5 | -65.9 | 0 | 0 | 0 | 0 | 113.5 | P58 V62 A97 E100 D104 L105 I106 | P58-V102 HydrophobicContact CB-CB 4.37Å; P58-V102 HydrophobicContact CB-CG1 4.42Å; V62-V102 HydrophobicContact CG2-CG2 3.49Å; V62-V102 VanDerWaalsContact CG2-CG2 3.49Å; A97-V102 HydrophobicContact CB-CG2 4.35Å; A97-V102 PolarHBondContact O-N 2.95Å; E100-V102 VanDerWaalsContact C-N 3.26Å; E100-V102 HydrophobicContact CB-CG2 3.97Å; E100-V102 PolarHBondContact O-N 3.33Å; V102-D104 PolarHBondContact O-N 2.99Å; V102-L105 HydrophobicContact CG1-CD1 4.34Å; V102-L105 WeakPolarHBondContact O-CB 3.32Å; V102-L105 PolarHBondContact O-N 3.07Å; V102-I106 HydrophobicContact CG2-CD1 4.13Å; V102-I106 WeakPolarHBondContact O-CG1 3.47Å; V102-I106 PolarHBondContact O-N 3.46Å | ||
| 103 | L | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | -177.6 | 178.8 | 63.5 | 0 | 0 | 0 | 112.2 | V24 W93 I94 A97 L98 L105 I106 V107 L137 | V24-L103 HydrophobicContact CG1-CD1 4.42Å; V24-L103 HydrophobicContact CG1-CD2 4.47Å; W93-L103 HydrophobicContact CZ3-CD1 4.2Å; I94-L103 HydrophobicContact CG2-CD1 4.07Å; I94-L103 HydrophobicContact CG2-CD2 3.83Å; A97-L103 HydrophobicContact CB-CB 3.79Å; A97-L103 HydrophobicContact CB-CD1 3.91Å; A97-L103 HydrophobicContact CB-CG 4.41Å; A97-L103 PolarHBondContact O-N 3.16Å; L98-L103 HydrophobicContact CB-CD2 4.1Å; L98-L103 HydrophobicContact CD1-CD2 4.19Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-L105 PolarHBondContact O-N 3.26Å; L103-I106 PolarHBondContact O-N 3.4Å; L103-V107 HydrophobicContact CD1-CG2 4.1Å; L103-V107 HydrophobicContact CG-CG2 4.44Å; L103-V107 VanDerWaalsContact O-CG2 3.29Å; L103-V107 WeakPolarHBondContact O-CG2 3.32Å; L103-V107 PolarHBondContact O-N 3.47Å; L103-L137 HydrophobicContact CD2-CD1 4.4Å; L103-L137 HydrophobicContact CD2-CD2 4.29Å; L103-L137 HydrophobicContact CG-CD1 4.25Å |
| 104 | D | 92.4 | Very high | 90.4 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 14% | 0.144 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -43 | 174.9 | 65.6 | -41.1 | 0 | 0 | 0 | 111.6 | V102 V107 D108 L137 V138 C141 | V102-D104 PolarHBondContact O-N 2.99Å; D104-V107 PolarHBondContact O-N 2.85Å; D104-D108 VanDerWaalsContact O-CB 3.25Å; D104-D108 WeakPolarHBondContact O-CB 3.48Å; D104-D108 PolarHBondContact O-N 3.21Å; D104-L137 HydrophobicContact CB-CB 3.94Å; D104-V138 HydrophobicContact CB-CG2 4.24Å; D104-C141 HydrophobicContact CB-CB 4.46Å |
| 105 | L | 93 | Very high | 90.1 | Very high | 77 Ų | 77 | 35 Ų | 35 | 40% | 0.403 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.9 | -59.3 | 178.5 | 0 | 0 | 0 | 112.6 | F56 V102 L103 Y109 | F56-L105 HydrophobicContact CE1-CB 4.46Å; F56-L105 HydrophobicContact CZ-CB 4.31Å; V102-L105 HydrophobicContact CG1-CD1 4.34Å; V102-L105 WeakPolarHBondContact O-CB 3.32Å; V102-L105 PolarHBondContact O-N 3.07Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-L105 PolarHBondContact O-N 3.26Å; L105-Y109 WeakPolarHBondContact O-CB 3.46Å; L105-Y109 PolarHBondContact O-N 3.28Å |
| 106 | I | 93.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -45.7 | 177.8 | -67.4 | 168.7 | 0 | 0 | 0 | 110.1 | F56 A59 V62 W93 A97 V102 L103 Y109 I110 | F56-I106 HydrophobicContact CD1-CG1 4.31Å; F56-I106 HydrophobicContact CE1-CG1 4.05Å; A59-I106 HydrophobicContact CB-CD1 4.3Å; A59-I106 HydrophobicContact CB-CG1 4.2Å; V62-I106 HydrophobicContact CB-CD1 4.37Å; V62-I106 HydrophobicContact CG2-CD1 3.91Å; W93-I106 HydrophobicContact CZ3-CG2 4.3Å; A97-I106 HydrophobicContact CB-CD1 4.1Å; V102-I106 HydrophobicContact CG2-CD1 4.13Å; V102-I106 WeakPolarHBondContact O-CG1 3.47Å; V102-I106 PolarHBondContact O-N 3.46Å; L103-I106 PolarHBondContact O-N 3.4Å; I106-Y109 PolarHBondContact O-N 3.1Å; I106-I110 HydrophobicContact CG2-CD1 3.89Å; I106-I110 VanDerWaalsContact O-CG1 3.26Å; I106-I110 WeakPolarHBondContact O-CG1 3.29Å; I106-I110 PolarHBondContact O-N 3.36Å |
| 107 | V | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 179.7 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | L28 L103 D104 I110 A111 M124 V133 A134 L137 | L28-V107 HydrophobicContact CD2-CG2 4.48Å; L103-V107 HydrophobicContact CD1-CG2 4.1Å; L103-V107 HydrophobicContact CG-CG2 4.44Å; L103-V107 VanDerWaalsContact O-CG2 3.29Å; L103-V107 WeakPolarHBondContact O-CG2 3.32Å; L103-V107 PolarHBondContact O-N 3.47Å; D104-V107 PolarHBondContact O-N 2.85Å; V107-I110 PolarHBondContact O-N 3.14Å; V107-A111 WeakPolarHBondContact O-CB 3.39Å; V107-A111 PolarHBondContact O-N 3.11Å; V107-M124 HydrophobicContact CG1-CE 3.67Å; V107-V133 HydrophobicContact CG1-CB 4.5Å; V107-V133 HydrophobicContact CG1-CG1 4.04Å; V107-A134 HydrophobicContact CB-CB 4.46Å; V107-A134 HydrophobicContact CG1-CB 4.1Å; V107-L137 HydrophobicContact CB-CD1 4.16Å; V107-L137 HydrophobicContact CG1-CD1 4.25Å; V107-L137 HydrophobicContact CG2-CD1 3.82Å |
| 108 | D | 90.4 | Very high | 90 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 25% | 0.246 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 173 | 178.3 | 66.7 | 0 | 0 | 0 | 112 | D104 I110 A111 K112 A134 | D104-D108 VanDerWaalsContact O-CB 3.25Å; D104-D108 WeakPolarHBondContact O-CB 3.48Å; D104-D108 PolarHBondContact O-N 3.21Å; D108-I110 VanDerWaalsContact C-N 3.32Å; D108-I110 PolarHBondContact O-N 2.91Å; D108-A111 PolarHBondContact O-N 3.44Å; D108-K112 VanDerWaalsContact CG-NZ 3.31Å; D108-K112 WeakPolarHBondContact O-CG 3.49Å; D108-K112 PolarHBondContact O-N 3.25Å; D108-K112 VanDerWaalsContact OD1-CE 3.22Å; D108-K112 WeakPolarHBondContact OD1-CE 3.01Å; D108-K112 IonicContact OD1-NZ 2.76Å; D108-K112 PolarHBondContact OD1-NZ 2.86Å; D108-K112 WeakPolarHBondContact OD2-CE 3.42Å; D108-K112 IonicContact OD2-NZ 3.2Å; D108-K112 PolarHBondContact OD2-NZ 3.28Å; D108-A134 HydrophobicContact CB-CB 3.83Å |
| 109 | Y | 92.9 | Very high | 89.8 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 15% | 0.153 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 174.6 | -179 | -90.2 | 0 | 0 | 0 | 112 | V52 S55 F56 L105 I106 K112 N113 | V52-Y109 HydrophobicContact CG1-CD1 3.67Å; V52-Y109 HydrophobicContact CG1-CE1 3.92Å; S55-Y109 VanDerWaalsContact CB-OH 3.31Å; S55-Y109 WeakPolarHBondContact CB-OH 3.44Å; S55-Y109 PolarHBondContact OG-OH 3.47Å; F56-Y109 HydrophobicContact CB-CD1 4.06Å; F56-Y109 HydrophobicContact CB-CD2 4.19Å; F56-Y109 HydrophobicContact CB-CE1 4.01Å; F56-Y109 HydrophobicContact CB-CE2 4.13Å; F56-Y109 HydrophobicContact CB-CG 4.15Å; F56-Y109 HydrophobicContact CD1-CG 4.12Å; F56-Y109 AromaticContact CD2-CD2 3.49Å; F56-Y109 HydrophobicContact CD2-CD2 3.49Å; F56-Y109 VanDerWaalsContact CD2-CD2 3.49Å; F56-Y109 AromaticContact CD2-CE2 3.89Å; F56-Y109 HydrophobicContact CD2-CE2 3.89Å; F56-Y109 AromaticContact CD2-CG 3.92Å; F56-Y109 HydrophobicContact CD2-CG 3.92Å; F56-Y109 AromaticContact CE2-CD2 3.94Å; F56-Y109 HydrophobicContact CE2-CD2 3.94Å; F56-Y109 HydrophobicContact CE2-CG 4.35Å; F56-Y109 HydrophobicContact CG-CD1 4.19Å; F56-Y109 AromaticContact CG-CD2 3.83Å; F56-Y109 HydrophobicContact CG-CD2 3.83Å; F56-Y109 HydrophobicContact CG-CE2 4.21Å; F56-Y109 AromaticContact CG-CG 3.8Å; F56-Y109 HydrophobicContact CG-CG 3.8Å; L105-Y109 WeakPolarHBondContact O-CB 3.46Å; L105-Y109 PolarHBondContact O-N 3.28Å; I106-Y109 PolarHBondContact O-N 3.1Å; Y109-K112 PolarHBondContact O-N 3.37Å; Y109-N113 WeakPolarHBondContact CE2-ND2 3.25Å; Y109-N113 WeakPolarHBondContact O-CB 3.25Å; Y109-N113 PolarHBondContact O-N 2.88Å; Y109-N113 VanDerWaalsContact O-N 3.08Å; Y109-N113 PolarHBondContact O-ND2 3.46Å |
| 110 | I | 92.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 177.6 | -71.4 | 167.6 | 0 | 0 | 0 | 110.6 | L28 L48 V52 I106 V107 D108 K112 N113 A114 Y118 M124 | L28-I110 HydrophobicContact CD2-CD1 4.21Å; L28-I110 HydrophobicContact CD2-CG2 4.44Å; L48-I110 HydrophobicContact CD2-CD1 4.09Å; L48-I110 HydrophobicContact CG-CD1 4.46Å; V52-I110 HydrophobicContact CG1-CG1 4.49Å; V52-I110 HydrophobicContact CG2-CD1 4.31Å; V52-I110 HydrophobicContact CG2-CG1 3.88Å; I106-I110 HydrophobicContact CG2-CD1 3.89Å; I106-I110 VanDerWaalsContact O-CG1 3.26Å; I106-I110 WeakPolarHBondContact O-CG1 3.29Å; I106-I110 PolarHBondContact O-N 3.36Å; V107-I110 PolarHBondContact O-N 3.14Å; D108-I110 VanDerWaalsContact C-N 3.32Å; D108-I110 PolarHBondContact O-N 2.91Å; I110-K112 PolarHBondContact O-N 3.46Å; I110-N113 CarbonylContact O-C 3.57Å; I110-N113 VanDerWaalsContact O-C 3.3Å; I110-N113 PolarHBondContact O-N 2.68Å; I110-A114 VanDerWaalsContact O-CA 3.28Å; I110-A114 WeakPolarHBondContact O-CA 3.26Å; I110-A114 PolarHBondContact O-N 3.05Å; I110-Y118 HydrophobicContact CG2-CD2 4.46Å; I110-Y118 HydrophobicContact CG2-CE2 3.49Å; I110-Y118 VanDerWaalsContact CG2-CE2 3.49Å; I110-M124 HydrophobicContact CG2-CE 4.21Å |
| 111 | A | 88.4 | Confident | 89.5 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 12% | 0.116 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | V107 D108 N113 A114 M124 | V107-A111 WeakPolarHBondContact O-CB 3.39Å; V107-A111 PolarHBondContact O-N 3.11Å; D108-A111 PolarHBondContact O-N 3.44Å; A111-N113 PolarHBondContact O-N 2.63Å; A111-A114 VanDerWaalsContact O-CB 3.32Å; A111-A114 WeakPolarHBondContact O-CB 3.29Å; A111-A114 PolarHBondContact O-N 3.37Å; A111-M124 HydrophobicContact CB-CE 3.85Å |
| 112 | K | 88.4 | Confident | 89.3 | Confident | 123 Ų | 123 | 46.3 Ų | 46.3 | 54% | 0.535 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.8 | -25.1 | 177.5 | -72.8 | 170.8 | -179.5 | 164 | 0 | 113.9 | D108 Y109 I110 | D108-K112 VanDerWaalsContact CG-NZ 3.31Å; D108-K112 WeakPolarHBondContact O-CG 3.49Å; D108-K112 PolarHBondContact O-N 3.25Å; D108-K112 VanDerWaalsContact OD1-CE 3.22Å; D108-K112 WeakPolarHBondContact OD1-CE 3.01Å; D108-K112 IonicContact OD1-NZ 2.76Å; D108-K112 PolarHBondContact OD1-NZ 2.86Å; D108-K112 WeakPolarHBondContact OD2-CE 3.42Å; D108-K112 IonicContact OD2-NZ 3.2Å; D108-K112 PolarHBondContact OD2-NZ 3.28Å; Y109-K112 PolarHBondContact O-N 3.37Å; I110-K112 PolarHBondContact O-N 3.46Å |
| 113 | N | 90.1 | Very high | 88.8 | Confident | 35 Ų | 35 | 48 Ų | 48 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 18.6 | 178.9 | -67 | -85.1 | 0 | 0 | 0 | 112.7 | Y109 I110 A111 P115 R116 Y117 | Y109-N113 WeakPolarHBondContact CE2-ND2 3.25Å; Y109-N113 WeakPolarHBondContact O-CB 3.25Å; Y109-N113 PolarHBondContact O-N 2.88Å; Y109-N113 VanDerWaalsContact O-N 3.08Å; Y109-N113 PolarHBondContact O-ND2 3.46Å; I110-N113 CarbonylContact O-C 3.57Å; I110-N113 VanDerWaalsContact O-C 3.3Å; I110-N113 PolarHBondContact O-N 2.68Å; A111-N113 PolarHBondContact O-N 2.63Å; N113-P115 VanDerWaalsContact C-N 3.33Å; N113-P115 VanDerWaalsContact O-N 3.17Å; N113-R116 WeakPolarHBondContact O-CB 3.19Å; N113-R116 PolarHBondContact O-N 2.79Å; N113-Y117 HydrophobicContact CB-CE2 3.9Å; N113-Y117 WeakPolarHBondContact O-CD2 3.4Å |
| 114 | A | 87.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -54.5 | -37.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | I110 A111 R116 Y117 Y118 M124 | I110-A114 VanDerWaalsContact O-CA 3.28Å; I110-A114 WeakPolarHBondContact O-CA 3.26Å; I110-A114 PolarHBondContact O-N 3.05Å; A111-A114 VanDerWaalsContact O-CB 3.32Å; A111-A114 WeakPolarHBondContact O-CB 3.29Å; A111-A114 PolarHBondContact O-N 3.37Å; A114-R116 PolarHBondContact O-N 3.21Å; A114-Y117 PolarHBondContact O-N 2.82Å; A114-Y118 HydrophobicContact CB-CD2 4.27Å; A114-Y118 PolarHBondContact O-N 2.78Å; A114-M124 WeakPolarHBondContact CB-O 3.48Å |
| 115 | P | 86 | Confident | 88 | Confident | 74 Ų | 74 | 50.1 Ų | 50.1 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -59.5 | -16.7 | 178.2 | -26.1 | 35.1 | 0 | 0 | 0 | 115.4 | R33 N113 F125 | R33-P115 PolarHBondContact NH1-O 3.08Å; R33-P115 PolarHBondContact NH2-O 3.44Å; N113-P115 VanDerWaalsContact C-N 3.33Å; N113-P115 VanDerWaalsContact O-N 3.17Å; P115-F125 HydrophobicContact CB-CE2 3.89Å; P115-F125 HydrophobicContact CG-CD2 4.42Å; P115-F125 HydrophobicContact CG-CE2 3.85Å; P115-F125 HydrophobicContact CG-CZ 4.31Å |
| 116 | R | 86.9 | Confident | 87.4 | Confident | 154 Ų | 154 | 49.8 Ų | 49.8 | 58% | 0.581 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -78.6 | -28.3 | 175 | -64.8 | -177 | 176.2 | -176.4 | -1.4 | 113 | N113 A114 | N113-R116 WeakPolarHBondContact O-CB 3.19Å; N113-R116 PolarHBondContact O-N 2.79Å; A114-R116 PolarHBondContact O-N 3.21Å |
| 117 | Y | 86.8 | Confident | 86.7 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -32.9 | -167.3 | -50.8 | -72.2 | 0 | 0 | 0 | 113.1 | R33 V36 L48 K51 V52 N113 A114 | R33-Y117 VanDerWaalsContact CB-O 3.23Å; R33-Y117 WeakPolarHBondContact CB-O 3.32Å; R33-Y117 WeakPolarHBondContact CG-O 3.45Å; R33-Y117 PolarHBondContact N-O 3.23Å; V36-Y117 HydrophobicContact CG2-CD1 4.42Å; L48-Y117 HydrophobicContact CD1-CD1 3.59Å; L48-Y117 HydrophobicContact CD1-CD2 4.45Å; L48-Y117 HydrophobicContact CD1-CE1 4.2Å; L48-Y117 HydrophobicContact CD1-CG 3.74Å; K51-Y117 HydrophobicContact CB-CE1 4.26Å; K51-Y117 HydrophobicContact CD-CD1 4.13Å; K51-Y117 HydrophobicContact CD-CE1 3.9Å; K51-Y117 HydrophobicContact CG-CE1 3.95Å; V52-Y117 HydrophobicContact CG2-CE1 4.33Å; V52-Y117 HydrophobicContact CG2-CE2 4.38Å; N113-Y117 HydrophobicContact CB-CE2 3.9Å; N113-Y117 WeakPolarHBondContact O-CD2 3.4Å; A114-Y117 PolarHBondContact O-N 2.82Å |
| 118 | Y | 89.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -113.6 | 153.3 | -170.2 | -68.8 | -85.7 | 0 | 0 | 0 | 113.4 | L28 H30 G31 L32 R33 L48 I110 A114 A122 M124 | L28-Y118 WeakPolarHBondContact CA-OH 3.4Å; L28-Y118 WeakPolarHBondContact CD2-OH 3.41Å; L28-Y118 VanDerWaalsContact O-CE1 3.24Å; L28-Y118 WeakPolarHBondContact O-CE1 3.46Å; L28-Y118 PolarHBondContact O-OH 3.24Å; H30-Y118 WeakPolarHBondContact O-CD1 3.28Å; G31-Y118 WeakPolarHBondContact O-CA 3.07Å; L32-Y118 HydrophobicContact CB-CD1 4.24Å; L32-Y118 HydrophobicContact CB-CE1 3.96Å; L32-Y118 HydrophobicContact CD1-CD1 4.24Å; L32-Y118 HydrophobicContact CD1-CE1 3.88Å; L32-Y118 HydrophobicContact CD1-CE2 4.33Å; R33-Y118 PolarHBondContact NE-O 2.89Å; R33-Y118 VanDerWaalsContact NE-O 3.07Å; R33-Y118 PolarHBondContact NH2-O 3Å; L48-Y118 HydrophobicContact CD2-CE2 4.48Å; L48-Y118 WeakPolarHBondContact CD2-OH 3.49Å; I110-Y118 HydrophobicContact CG2-CD2 4.46Å; I110-Y118 HydrophobicContact CG2-CE2 3.49Å; I110-Y118 VanDerWaalsContact CG2-CE2 3.49Å; A114-Y118 HydrophobicContact CB-CD2 4.27Å; A114-Y118 PolarHBondContact O-N 2.78Å; Y118-A122 HydrophobicContact CD1-CB 3.66Å; Y118-A122 HydrophobicContact CG-CB 3.95Å; Y118-M124 HydrophobicContact CD1-CB 4.25Å; Y118-M124 HydrophobicContact CD2-CB 3.89Å; Y118-M124 HydrophobicContact CE1-CB 4.08Å; Y118-M124 HydrophobicContact CE1-CG 4.18Å; Y118-M124 HydrophobicContact CE2-CB 3.73Å; Y118-M124 HydrophobicContact CE2-CG 4.21Å; Y118-M124 HydrophobicContact CG-CB 4.16Å |
| 119 | D | 86.7 | Confident | 85.3 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | trans | -72.5 | 154.5 | 167.3 | -68.9 | -38.8 | 0 | 0 | 0 | 111.2 | G31 R33 E121 A122 F125 | G31-D119 PolarHBondContact O-N 3.46Å; R33-D119 WeakPolarHBondContact CG-OD1 3.27Å; R33-D119 IonicContact NE-OD1 3.61Å; R33-D119 PolarHBondContact NE-OD1 3.41Å; D119-E121 PolarHBondContact O-N 3.31Å; D119-E121 VanDerWaalsContact O-N 3.1Å; D119-A122 WeakPolarHBondContact O-CB 3.31Å; D119-A122 PolarHBondContact O-N 3.4Å; D119-F125 WeakPolarHBondContact O-CB 3.29Å | ||
| 120 | P | 85.3 | Confident | 84.7 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.8 | -175.7 | -26.1 | 35.8 | 0 | 0 | 0 | 115 | A122 F125 | P120-A122 VanDerWaalsContact C-N 3.3Å; P120-F125 HydrophobicContact CB-CD1 4.37Å; P120-F125 HydrophobicContact CB-CE1 4.11Å; P120-F125 HydrophobicContact CB-CZ 4.22Å; P120-F125 HydrophobicContact CG-CZ 4.42Å; P120-F125 WeakPolarHBondContact O-CD1 3.42Å |
| 121 | E | 80.8 | Confident | 84.1 | Confident | 179 Ų | 179 | 57.6 Ų | 57.6 | 84% | 0.836 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -0.3 | 178.1 | -60.4 | -175.7 | 164.1 | 0 | 0 | 113.2 | H30 D119 | H30-E121 PolarHBondContact CE1-O 2.98Å; D119-E121 PolarHBondContact O-N 3.31Å; D119-E121 VanDerWaalsContact O-N 3.1Å |
| 122 | A | 85.4 | Confident | 83.7 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -73.7 | 143.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H30 Y118 D119 P120 M124 F125 | H30-A122 VanDerWaalsContact O-CB 3.28Å; H30-A122 WeakPolarHBondContact O-CB 3.37Å; Y118-A122 HydrophobicContact CD1-CB 3.66Å; Y118-A122 HydrophobicContact CG-CB 3.95Å; D119-A122 WeakPolarHBondContact O-CB 3.31Å; D119-A122 PolarHBondContact O-N 3.4Å; P120-A122 VanDerWaalsContact C-N 3.3Å; A122-M124 PolarHBondContact O-N 3.36Å; A122-F125 HydrophobicContact CB-CB 4.07Å; A122-F125 VanDerWaalsContact O-CB 3.32Å; A122-F125 WeakPolarHBondContact O-CB 3.2Å; A122-F125 PolarHBondContact O-N 2.96Å |
| 123 | L | 82.3 | Confident | 83.5 | Confident | 65 Ų | 65 | 55.7 Ų | 55.7 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -33.2 | 174.3 | -173.6 | 142.3 | 0 | 0 | 0 | 113.2 | C27 H30 F125 T129 V133 | C27-L123 HydrophobicContact CB-CD2 4.42Å; H30-L123 PolarHBondContact ND1-N 3.09Å; L123-F125 VanDerWaalsContact C-N 3.35Å; L123-T129 PolarHBondContact O-OG1 3.39Å; L123-V133 HydrophobicContact CD2-CG2 3.62Å |
| 124 | M | 85.3 | Confident | 83.2 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.5 | 176.8 | -65.6 | -56.7 | -61.5 | 0 | 0 | 113.5 | L28 V107 I110 A111 A114 Y118 A122 V133 | L28-M124 HydrophobicContact CD2-CE 4.35Å; L28-M124 HydrophobicContact CD2-CG 4.34Å; L28-M124 HydrophobicContact CD2-SD 4.41Å; V107-M124 HydrophobicContact CG1-CE 3.67Å; I110-M124 HydrophobicContact CG2-CE 4.21Å; A111-M124 HydrophobicContact CB-CE 3.85Å; A114-M124 WeakPolarHBondContact CB-O 3.48Å; Y118-M124 HydrophobicContact CD1-CB 4.25Å; Y118-M124 HydrophobicContact CD2-CB 3.89Å; Y118-M124 HydrophobicContact CE1-CB 4.08Å; Y118-M124 HydrophobicContact CE1-CG 4.18Å; Y118-M124 HydrophobicContact CE2-CB 3.73Å; Y118-M124 HydrophobicContact CE2-CG 4.21Å; Y118-M124 HydrophobicContact CG-CB 4.16Å; A122-M124 PolarHBondContact O-N 3.36Å; M124-V133 HydrophobicContact SD-CB 4.45Å |
| 125 | F | 84.3 | Confident | 82.9 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 31% | 0.307 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -33 | 178.1 | -170.1 | -84 | 0 | 0 | 0 | 112 | P115 D119 P120 A122 L123 S127 | P115-F125 HydrophobicContact CB-CE2 3.89Å; P115-F125 HydrophobicContact CG-CD2 4.42Å; P115-F125 HydrophobicContact CG-CE2 3.85Å; P115-F125 HydrophobicContact CG-CZ 4.31Å; D119-F125 WeakPolarHBondContact O-CB 3.29Å; P120-F125 HydrophobicContact CB-CD1 4.37Å; P120-F125 HydrophobicContact CB-CE1 4.11Å; P120-F125 HydrophobicContact CB-CZ 4.22Å; P120-F125 HydrophobicContact CG-CZ 4.42Å; P120-F125 WeakPolarHBondContact O-CD1 3.42Å; A122-F125 HydrophobicContact CB-CB 4.07Å; A122-F125 VanDerWaalsContact O-CB 3.32Å; A122-F125 WeakPolarHBondContact O-CB 3.2Å; A122-F125 PolarHBondContact O-N 2.96Å; L123-F125 VanDerWaalsContact C-N 3.35Å; F125-S127 PolarHBondContact O-N 3.16Å |
| 126 | D | 80.2 | Confident | 82.8 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -68.8 | 129 | 174.9 | 172.8 | 68.7 | 0 | 0 | 0 | 111.5 | V128 T129 G130 | D126-V128 PolarHBondContact O-N 3.28Å; D126-V128 WeakPolarHBondContact OD2-CA 3.32Å; D126-V128 WeakPolarHBondContact OD2-CB 3.43Å; D126-V128 PolarHBondContact OD2-N 2.94Å; D126-T129 VanDerWaalsContact CB-OG1 3.27Å; D126-T129 WeakPolarHBondContact CB-OG1 3.33Å; D126-T129 PolarHBondContact OD2-N 3.18Å; D126-T129 PolarHBondContact OD2-OG1 3.14Å; D126-T129 VanDerWaalsContact OD2-OG1 3.12Å; D126-G130 PolarHBondContact O-N 3.42Å |
| 127 | S | 77.9 | Confident | 82.8 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.9 | -173.9 | 69.1 | 0 | 0 | 0 | 0 | 113.2 | F125 N131 | F125-S127 PolarHBondContact O-N 3.16Å; S127-N131 WeakPolarHBondContact O-CB 3.32Å; S127-N131 PolarHBondContact O-ND2 3.47Å |
| 128 | V | 76.5 | Confident | 82.7 | Confident | 80 Ų | 80 | 53.8 Ų | 53.8 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -53.1 | 179.1 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | D126 N131 M132 | D126-V128 PolarHBondContact O-N 3.28Å; D126-V128 WeakPolarHBondContact OD2-CA 3.32Å; D126-V128 WeakPolarHBondContact OD2-CB 3.43Å; D126-V128 PolarHBondContact OD2-N 2.94Å; V128-N131 PolarHBondContact O-N 3.08Å; V128-M132 HydrophobicContact CG1-CE 4.33Å; V128-M132 VanDerWaalsContact O-CB 3.32Å; V128-M132 WeakPolarHBondContact O-CB 3.35Å; V128-M132 PolarHBondContact O-N 3.01Å |
| 129 | T | 77.8 | Confident | 82.1 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | -177 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | L123 D126 N131 M132 V133 | L123-T129 PolarHBondContact O-OG1 3.39Å; D126-T129 VanDerWaalsContact CB-OG1 3.27Å; D126-T129 WeakPolarHBondContact CB-OG1 3.33Å; D126-T129 PolarHBondContact OD2-N 3.18Å; D126-T129 PolarHBondContact OD2-OG1 3.14Å; D126-T129 VanDerWaalsContact OD2-OG1 3.12Å; T129-N131 VanDerWaalsContact C-N 3.31Å; T129-N131 PolarHBondContact O-N 3.33Å; T129-M132 WeakPolarHBondContact O-CA 3.36Å; T129-M132 WeakPolarHBondContact O-CB 3.38Å; T129-M132 PolarHBondContact O-N 2.88Å; T129-V133 WeakPolarHBondContact O-CG2 3.38Å; T129-V133 PolarHBondContact O-N 3.36Å |
| 130 | G | 80.3 | Confident | 82 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | D126 M132 V133 A134 | D126-G130 PolarHBondContact O-N 3.42Å; G130-M132 VanDerWaalsContact C-N 3.31Å; G130-M132 PolarHBondContact O-N 3.31Å; G130-V133 PolarHBondContact O-N 3.27Å; G130-A134 PolarHBondContact O-N 3.46Å |
| 131 | N | 80.4 | Confident | 82 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 21% | 0.214 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.3 | -25.3 | 175 | -71.2 | -31.8 | 0 | 0 | 0 | 112.6 | S127 V128 T129 G135 R407 | S127-N131 WeakPolarHBondContact O-CB 3.32Å; S127-N131 PolarHBondContact O-ND2 3.47Å; V128-N131 PolarHBondContact O-N 3.08Å; T129-N131 VanDerWaalsContact C-N 3.31Å; T129-N131 PolarHBondContact O-N 3.33Å; N131-G135 PolarHBondContact O-N 3.15Å; N131-R407 VanDerWaalsContact C-NH2 3.26Å; N131-R407 PolarHBondContact O-NH2 2.93Å |
| 132 | M | 78.9 | Confident | 82 | Confident | 75 Ų | 75 | 43.5 Ų | 43.5 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 175 | -170.7 | -176.8 | -64.2 | 0 | 0 | 111 | V128 T129 G130 A134 G135 L136 | V128-M132 HydrophobicContact CG1-CE 4.33Å; V128-M132 VanDerWaalsContact O-CB 3.32Å; V128-M132 WeakPolarHBondContact O-CB 3.35Å; V128-M132 PolarHBondContact O-N 3.01Å; T129-M132 WeakPolarHBondContact O-CA 3.36Å; T129-M132 WeakPolarHBondContact O-CB 3.38Å; T129-M132 PolarHBondContact O-N 2.88Å; G130-M132 VanDerWaalsContact C-N 3.31Å; G130-M132 PolarHBondContact O-N 3.31Å; M132-A134 VanDerWaalsContact C-N 3.33Å; M132-A134 PolarHBondContact O-N 3.35Å; M132-G135 PolarHBondContact O-N 2.93Å; M132-G135 VanDerWaalsContact O-N 3.17Å; M132-L136 HydrophobicContact CG-CD1 4.32Å; M132-L136 WeakPolarHBondContact O-CG 3.5Å; M132-L136 PolarHBondContact O-N 3.42Å |
| 133 | V | 84.2 | Confident | 81.7 | Confident | 23 Ų | 23 | 45 Ų | 45 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 174.7 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | V107 L123 M124 T129 G130 G135 L136 L137 | V107-V133 HydrophobicContact CG1-CB 4.5Å; V107-V133 HydrophobicContact CG1-CG1 4.04Å; L123-V133 HydrophobicContact CD2-CG2 3.62Å; M124-V133 HydrophobicContact SD-CB 4.45Å; T129-V133 WeakPolarHBondContact O-CG2 3.38Å; T129-V133 PolarHBondContact O-N 3.36Å; G130-V133 PolarHBondContact O-N 3.27Å; V133-G135 PolarHBondContact O-N 3.13Å; V133-L136 PolarHBondContact O-N 2.95Å; V133-L137 HydrophobicContact CG1-CD1 4.26Å; V133-L137 WeakPolarHBondContact O-CG 3.13Å; V133-L137 PolarHBondContact O-N 3.49Å |
| 134 | A | 84.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V107 D108 G130 M132 L136 L137 V138 | V107-A134 HydrophobicContact CB-CB 4.46Å; V107-A134 HydrophobicContact CG1-CB 4.1Å; D108-A134 HydrophobicContact CB-CB 3.83Å; G130-A134 PolarHBondContact O-N 3.46Å; M132-A134 VanDerWaalsContact C-N 3.33Å; M132-A134 PolarHBondContact O-N 3.35Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 3.19Å; A134-L137 PolarHBondContact O-N 2.95Å; A134-L137 VanDerWaalsContact O-N 3.13Å; A134-V138 PolarHBondContact O-N 2.87Å |
| 135 | G | 80.3 | Confident | 81 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -35.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N131 M132 V133 L137 V138 | N131-G135 PolarHBondContact O-N 3.15Å; M132-G135 PolarHBondContact O-N 2.93Å; M132-G135 VanDerWaalsContact O-N 3.17Å; V133-G135 PolarHBondContact O-N 3.13Å; G135-L137 VanDerWaalsContact C-N 3.28Å; G135-L137 PolarHBondContact O-N 3.14Å; G135-V138 PolarHBondContact O-N 3.29Å |
| 136 | L | 84.2 | Confident | 80.2 | Confident | 109 Ų | 109 | 49.7 Ų | 49.7 | 57% | 0.571 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.6 | -25.9 | 176.3 | -72.2 | 171.1 | 0 | 0 | 0 | 112.6 | M132 V133 A134 P140 | M132-L136 HydrophobicContact CG-CD1 4.32Å; M132-L136 WeakPolarHBondContact O-CG 3.5Å; M132-L136 PolarHBondContact O-N 3.42Å; V133-L136 PolarHBondContact O-N 2.95Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 3.19Å; L136-P140 WeakPolarHBondContact O-CD 3.37Å |
| 137 | L | 87.2 | Confident | 79.2 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -81.2 | -14.9 | 179.7 | -67.6 | 169.9 | 0 | 0 | 0 | 113.8 | L20 V24 L103 D104 V107 V133 A134 G135 G139 P140 C141 | L20-L137 HydrophobicContact CD1-CD2 4.25Å; V24-L137 HydrophobicContact CG1-CD1 4.48Å; V24-L137 HydrophobicContact CG2-CD1 4.12Å; V24-L137 HydrophobicContact CG2-CD2 3.63Å; V24-L137 HydrophobicContact CG2-CG 4.46Å; L103-L137 HydrophobicContact CD2-CD1 4.4Å; L103-L137 HydrophobicContact CD2-CD2 4.29Å; L103-L137 HydrophobicContact CG-CD1 4.25Å; D104-L137 HydrophobicContact CB-CB 3.94Å; V107-L137 HydrophobicContact CB-CD1 4.16Å; V107-L137 HydrophobicContact CG1-CD1 4.25Å; V107-L137 HydrophobicContact CG2-CD1 3.82Å; V133-L137 HydrophobicContact CG1-CD1 4.26Å; V133-L137 WeakPolarHBondContact O-CG 3.13Å; V133-L137 PolarHBondContact O-N 3.49Å; A134-L137 PolarHBondContact O-N 2.95Å; A134-L137 VanDerWaalsContact O-N 3.13Å; G135-L137 VanDerWaalsContact C-N 3.28Å; G135-L137 PolarHBondContact O-N 3.14Å; L137-G139 VanDerWaalsContact C-N 3.28Å; L137-G139 PolarHBondContact O-N 3.4Å; L137-P140 WeakPolarHBondContact O-CD 3.35Å; L137-C141 WeakPolarHBondContact O-CB 3.26Å; L137-C141 PolarHBondContact O-N 3.38Å; L137-C141 PolarHBondContact O-SG 2.98Å |
| 138 | V | 84.1 | Confident | 77.8 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | D104 A134 G135 A142 | D104-V138 HydrophobicContact CB-CG2 4.24Å; A134-V138 PolarHBondContact O-N 2.87Å; G135-V138 PolarHBondContact O-N 3.29Å; V138-A142 PolarHBondContact O-N 3.39Å; V138-A142 VanDerWaalsContact O-N 3.14Å |
| 139 | G | 78 | Confident | 75.9 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -58.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L137 C141 A142 | L137-G139 VanDerWaalsContact C-N 3.28Å; L137-G139 PolarHBondContact O-N 3.4Å; G139-C141 VanDerWaalsContact C-N 3.34Å; G139-C141 PolarHBondContact O-N 3.28Å; G139-A142 WeakPolarHBondContact O-CB 3.41Å; G139-A142 PolarHBondContact O-N 3.11Å; G139-A142 VanDerWaalsContact O-N 3.13Å |
| 140 | P | 83.3 | Confident | 73.8 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 10% | 0.104 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54.1 | -43.6 | 173.6 | -28.6 | 35.2 | 0 | 0 | 0 | 114 | L20 L98 L136 L137 A142 L143 Y145 | L20-P140 HydrophobicContact CD2-CB 3.78Å; L20-P140 HydrophobicContact CD2-CG 3.99Å; L98-P140 HydrophobicContact CD1-CB 3.82Å; L136-P140 WeakPolarHBondContact O-CD 3.37Å; L137-P140 WeakPolarHBondContact O-CD 3.35Å; P140-A142 PolarHBondContact O-N 3.4Å; P140-L143 WeakPolarHBondContact O-CB 3.25Å; P140-L143 PolarHBondContact O-N 3.25Å; P140-L143 VanDerWaalsContact O-N 3.17Å; P140-Y145 PolarHBondContact O-OH 2.96Å |
| 141 | C | 85.1 | Confident | 71.7 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.4 | -18.3 | 179.4 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | K101 D104 L137 G139 L143 | K101-C141 VanDerWaalsContact CB-O 3.25Å; K101-C141 WeakPolarHBondContact CB-O 3.5Å; K101-C141 VanDerWaalsContact CD-O 3.26Å; K101-C141 WeakPolarHBondContact CD-O 3.39Å; K101-C141 WeakPolarHBondContact CG-O 3.43Å; D104-C141 HydrophobicContact CB-CB 4.46Å; L137-C141 WeakPolarHBondContact O-CB 3.26Å; L137-C141 PolarHBondContact O-N 3.38Å; L137-C141 PolarHBondContact O-SG 2.98Å; G139-C141 VanDerWaalsContact C-N 3.34Å; G139-C141 PolarHBondContact O-N 3.28Å; C141-L143 VanDerWaalsContact C-N 3.31Å |
| 142 | A | 80.8 | Confident | 69.4 | Low | 72 Ų | 72 | 67.6 Ų | 67.6 | 60% | 0.595 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -16.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V138 G139 P140 | V138-A142 PolarHBondContact O-N 3.39Å; V138-A142 VanDerWaalsContact O-N 3.14Å; G139-A142 WeakPolarHBondContact O-CB 3.41Å; G139-A142 PolarHBondContact O-N 3.11Å; G139-A142 VanDerWaalsContact O-N 3.13Å; P140-A142 PolarHBondContact O-N 3.4Å |
| 143 | L | 78.6 | Confident | 67.5 | Low | 34 Ų | 34 | 70.6 Ų | 70.6 | 18% | 0.178 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -72.4 | 156.4 | -175.1 | -60.5 | 174.2 | 0 | 0 | 0 | 112.4 | M1 A4 I10 K101 P140 C141 Y145 | M1-L143 HydrophobicContact CE-CD2 4.4Å; M1-L143 HydrophobicContact SD-CD1 3.86Å; M1-L143 HydrophobicContact SD-CD2 4.46Å; M1-L143 HydrophobicContact SD-CG 4.38Å; A4-L143 HydrophobicContact CB-CD1 3.91Å; A4-L143 HydrophobicContact CB-CD2 3.67Å; A4-L143 HydrophobicContact CB-CG 4.44Å; I10-L143 HydrophobicContact CD1-CD1 3.87Å; K101-L143 WeakPolarHBondContact CE-O 3.29Å; K101-L143 PolarHBondContact NZ-O 3.13Å; K101-L143 VanDerWaalsContact NZ-O 3.13Å; P140-L143 WeakPolarHBondContact O-CB 3.25Å; P140-L143 PolarHBondContact O-N 3.25Å; P140-L143 VanDerWaalsContact O-N 3.17Å; C141-L143 VanDerWaalsContact C-N 3.31Å; L143-Y145 HydrophobicContact CB-CE1 4.44Å; L143-Y145 HydrophobicContact CB-CE2 4.13Å |
| 144 | E | 75.2 | Confident | 65.3 | Low | 157 Ų | 157 | 76.9 Ų | 76.9 | 73% | 0.734 | 43% | 0.432 | S | S | * | . | trans | -96.3 | 124.5 | 168.4 | -69.9 | -173.6 | 170.9 | 0 | 0 | 109.6 | ||||
| 145 | Y | 78.6 | Confident | 63 | Low | 28 Ų | 28 | 81.8 Ų | 81.8 | 11% | 0.11 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.1 | 178.9 | -61.2 | -75.8 | 0 | 0 | 0 | 109.2 | I10 I17 L98 V99 P140 L143 | I10-Y145 HydrophobicContact CB-CD1 4.25Å; I10-Y145 HydrophobicContact CB-CE1 4.44Å; I10-Y145 HydrophobicContact CG2-CD1 4.49Å; I17-Y145 HydrophobicContact CD1-CD1 3.57Å; I17-Y145 HydrophobicContact CD1-CE1 3.53Å; I17-Y145 HydrophobicContact CG1-CE1 4.13Å; L98-Y145 HydrophobicContact CD1-CE2 4.34Å; L98-Y145 HydrophobicContact CD2-CE2 4.38Å; L98-Y145 HydrophobicContact CG-CE2 3.82Å; V99-Y145 HydrophobicContact CG2-CD2 4.3Å; V99-Y145 HydrophobicContact CG2-CG 4.33Å; P140-Y145 PolarHBondContact O-OH 2.96Å; L143-Y145 HydrophobicContact CB-CE1 4.44Å; L143-Y145 HydrophobicContact CB-CE2 4.13Å |
| 146 | T | 68.2 | Low | 60.8 | Low | 51 Ų | 51 | 89.1 Ų | 89.1 | 31% | 0.313 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 125.9 | 176 | 34.9 | 0 | 0 | 0 | 0 | 111.4 | V9 I10 E12 | V9-T146 HydrophobicContact CG1-CG2 3.29Å; V9-T146 WeakPolarHBondContact CG1-OG1 3.41Å; I10-T146 PolarHBondContact O-N 3.34Å; I10-T146 PolarHBondContact O-OG1 3.22Å; E12-T146 WeakPolarHBondContact CG-O 3.41Å; E12-T146 PolarHBondContact N-O 3.35Å |
| 147 | K | 57.7 | Low | 58.5 | Low | 139 Ų | 139 | 92.4 Ų | 92.4 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | trans | -62.5 | 140.3 | 171.2 | -72.6 | -179.6 | 178 | -178.2 | 0 | 110.5 | E12 A149 | E12-K147 WeakPolarHBondContact OE1-CA 3.41Å; E12-K147 WeakPolarHBondContact OE1-CG 3.39Å; K147-A149 PolarHBondContact O-N 2.83Å | ||
| 148 | E | 49.1 | Very low | 56 | Low | 104 Ų | 104 | 98.2 Ų | 98.2 | 49% | 0.486 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -51.4 | -8.5 | -173.2 | -93.7 | 174.6 | 163.8 | 0 | 0 | 116.2 | R88 L150 L151 | R88-E148 IonicContact NH1-OE1 2.64Å; R88-E148 PolarHBondContact NH1-OE1 3.24Å; E148-L150 PolarHBondContact O-N 2.82Å; E148-L151 PolarHBondContact O-N 3.33Å |
| 149 | A | 37.5 | Very low | 53.8 | Low | 88 Ų | 88 | 98 Ų | 98 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -68.7 | 4.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K147 | K147-A149 PolarHBondContact O-N 2.83Š|
| 150 | L | 32.9 | Very low | 51.7 | Low | 136 Ų | 136 | 102.1 Ų | 102.1 | 71% | 0.712 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -128.3 | 6.4 | 179.2 | -72.9 | 173.7 | 0 | 0 | 0 | 114.8 | E148 | E148-L150 PolarHBondContact O-N 2.82Š|
| 151 | L | 35.5 | Very low | 49.7 | Very low | 97 Ų | 97 | 105.9 Ų | 105.9 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | trans | -107.8 | 59.9 | 171.3 | -64.2 | 172.5 | 0 | 0 | 0 | 108.7 | E148 E153 | E148-L151 PolarHBondContact O-N 3.33Å; L151-E153 PolarHBondContact O-N 2.84Å | ||
| 152 | D | 33.9 | Very low | 47.5 | Very low | 134 Ų | 134 | 112.1 Ų | 112.1 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | trans | -51.5 | 136.5 | 156.4 | -76.3 | -36.9 | 0 | 0 | 0 | 108 | D154 N155 | D152-D154 PolarHBondContact O-N 2.8Å; D152-N155 PolarHBondContact O-N 3.32Å | ||
| 153 | E | 38.1 | Very low | 45.7 | Very low | 138 Ų | 138 | 112.9 Ų | 112.9 | 65% | 0.645 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -51.1 | -15.9 | -169.8 | -82.8 | -75.7 | 131.6 | 0 | 0 | 115.1 | L151 N155 R156 | L151-E153 PolarHBondContact O-N 2.84Å; E153-N155 PolarHBondContact O-N 2.95Å; E153-R156 IonicContact OE1-NH2 3.08Å; E153-R156 IonicContact OE2-CZ 3.06Å; E153-R156 IonicContact OE2-NE 3.36Å; E153-R156 IonicContact OE2-NH2 3.95Å; E153-R156 PolarHBondContact OE2-NH2 2.97Å |
| 154 | D | 37.7 | Very low | 44.2 | Very low | 155 Ų | 155 | 114.2 Ų | 114.2 | 83% | 0.829 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -82.1 | -5.3 | -176.2 | -70.9 | -27.8 | 0 | 0 | 0 | 115.2 | D152 | D152-D154 PolarHBondContact O-N 2.8Š|
| 155 | N | 36.1 | Very low | 42.5 | Very low | 106 Ų | 106 | 111 Ų | 111 | 57% | 0.567 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -102.2 | 31.2 | -177.7 | -95.8 | -18.6 | 0 | 0 | 0 | 115.6 | D152 E153 F157 | D152-N155 PolarHBondContact O-N 3.32Å; E153-N155 PolarHBondContact O-N 2.95Å; N155-F157 PolarHBondContact O-N 3.3Å; N155-F157 VanDerWaalsContact O-N 3.12Å |
| 156 | R | 34.8 | Very low | 41 | Very low | 189 Ų | 189 | 114.4 Ų | 114.4 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -65.4 | -8.2 | 170.3 | -68.2 | -167.2 | -145.7 | -143.6 | 3.4 | 114.2 | E153 | E153-R156 IonicContact OE1-NH2 3.08Å; E153-R156 IonicContact OE2-CZ 3.06Å; E153-R156 IonicContact OE2-NE 3.36Å; E153-R156 IonicContact OE2-NH2 3.95Å; E153-R156 PolarHBondContact OE2-NH2 2.97Å |
| 157 | F | 35.7 | Very low | 40.1 | Very low | 179 Ų | 179 | 117.8 Ų | 117.8 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -142.2 | 91.1 | 175.4 | -79.6 | -90.8 | 0 | 0 | 0 | 109.8 | N155 | N155-F157 PolarHBondContact O-N 3.3Å; N155-F157 VanDerWaalsContact O-N 3.12Å |
| 158 | N | 35.5 | Very low | 39.3 | Very low | 127 Ų | 127 | 119 Ų | 119 | 68% | 0.679 | 62% | 0.619 | S | S | * | * | trans | 155.5 | 89 | 148 | -78.7 | -24.7 | 0 | 0 | 0 | 110.1 | F160 | N158-F160 PolarHBondContact O-N 3.37Š| ||
| 159 | G | 37.3 | Very low | 38.7 | Very low | 72 Ų | 72 | 118.6 Ų | 118.6 | 74% | 0.742 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -69 | 27.4 | 172 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 160 | F | 34.6 | Very low | 38.9 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -133.3 | 121.2 | 171.4 | -61.9 | -69.4 | 0 | 0 | 0 | 108.1 | N158 L165 | N158-F160 PolarHBondContact O-N 3.37Å; F160-L165 HydrophobicContact CB-CD1 4.24Å |
| 161 | T | 40.1 | Very low | 39.2 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 59% | 0.589 | 62% | 0.619 | S | S | * | * | trans | -65.2 | 143.4 | 168.2 | 45.2 | 0 | 0 | 0 | 0 | 109.3 | S163 E164 L165 | T161-S163 PolarHBondContact O-N 2.91Å; T161-E164 PolarHBondContact O-N 3.4Å; T161-L165 PolarHBondContact O-N 3.44Å | ||
| 162 | I | 39.8 | Very low | 39 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 70% | 0.697 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -50.6 | -33.2 | 176.9 | -77.5 | 166.9 | 0 | 0 | 0 | 111.7 | L165 L166 | I162-L165 PolarHBondContact O-N 3.4Å; I162-L166 HydrophobicContact CG2-CD1 3.9Å; I162-L166 WeakPolarHBondContact O-CB 3.4Å; I162-L166 WeakPolarHBondContact O-CG 3.46Å; I162-L166 PolarHBondContact O-N 3.48Å |
| 163 | S | 43.9 | Very low | 38.7 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.5 | -39.6 | 174.7 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | T161 Q167 | T161-S163 PolarHBondContact O-N 2.91Å; S163-Q167 WeakPolarHBondContact O-CB 3.34Å; S163-Q167 PolarHBondContact O-N 3.46Å |
| 164 | E | 46.8 | Very low | 38.4 | Very low | 63 Ų | 63 | 126.2 Ų | 126.2 | 29% | 0.294 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -74.1 | -35.7 | 179.1 | -124.3 | -171.4 | 170.6 | 0 | 0 | 111.6 | K8 T161 Q167 R168 | K8-E164 IonicContact NZ-OE1 3.98Å; T161-E164 PolarHBondContact O-N 3.4Å; E164-Q167 PolarHBondContact O-N 2.83Å; E164-R168 PolarHBondContact O-N 2.83Å |
| 165 | L | 38.7 | Very low | 38.1 | Very low | 90 Ų | 90 | 128.2 Ų | 128.2 | 47% | 0.471 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.2 | -40.4 | 173.7 | -117 | 154.8 | 0 | 0 | 0 | 111.3 | F160 T161 I162 N169 | F160-L165 HydrophobicContact CB-CD1 4.24Å; T161-L165 PolarHBondContact O-N 3.44Å; I162-L165 PolarHBondContact O-N 3.4Å; L165-N169 WeakPolarHBondContact O-CB 3.46Å; L165-N169 PolarHBondContact O-N 3.33Å; L165-N169 PolarHBondContact O-ND2 3.34Å |
| 166 | L | 47 | Very low | 38 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64.7 | -40.7 | 171.2 | -79.9 | 162.5 | 0 | 0 | 0 | 111.6 | I162 N169 Q170 | I162-L166 HydrophobicContact CG2-CD1 3.9Å; I162-L166 WeakPolarHBondContact O-CB 3.4Å; I162-L166 WeakPolarHBondContact O-CG 3.46Å; I162-L166 PolarHBondContact O-N 3.48Å; L166-N169 PolarHBondContact O-N 3.47Å; L166-Q170 WeakPolarHBondContact O-CB 3.24Å; L166-Q170 VanDerWaalsContact O-CG 3.27Å; L166-Q170 WeakPolarHBondContact O-CG 3.41Å; L166-Q170 PolarHBondContact O-N 3.26Å |
| 167 | Q | 49.3 | Very low | 37.8 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.5 | -38.1 | -178.8 | -149.7 | 172.8 | 24.4 | 0 | 0 | 112.4 | S163 E164 F171 | S163-Q167 WeakPolarHBondContact O-CB 3.34Å; S163-Q167 PolarHBondContact O-N 3.46Å; E164-Q167 PolarHBondContact O-N 2.83Å; Q167-F171 VanDerWaalsContact O-CD2 3.22Å; Q167-F171 WeakPolarHBondContact O-CD2 3.38Å |
| 168 | R | 40.7 | Very low | 37.7 | Very low | 165 Ų | 165 | 118.7 Ų | 118.7 | 62% | 0.623 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.5 | -37.5 | 172.8 | -81.4 | -179.8 | 137.1 | 141.2 | -6.1 | 112.8 | E164 F171 | E164-R168 PolarHBondContact O-N 2.83Å; R168-F171 PolarHBondContact O-N 2.9Å |
| 169 | N | 37 | Very low | 37.5 | Very low | 96 Ų | 96 | 120.5 Ų | 120.5 | 51% | 0.513 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -77.9 | -21.9 | 177 | -77.5 | -37.3 | 0 | 0 | 0 | 113.6 | L165 L166 F171 R172 S173 | L165-N169 WeakPolarHBondContact O-CB 3.46Å; L165-N169 PolarHBondContact O-N 3.33Å; L165-N169 PolarHBondContact O-ND2 3.34Å; L166-N169 PolarHBondContact O-N 3.47Å; N169-F171 PolarHBondContact O-N 2.84Å; N169-R172 CarbonylContact O-C 3.6Å; N169-R172 PolarHBondContact O-N 2.83Å; N169-S173 PolarHBondContact O-N 2.84Å; N169-S173 VanDerWaalsContact O-N 3.11Å |
| 170 | Q | 41.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 60% | 0.598 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.1 | -26.1 | 171.2 | -83.6 | -178.2 | 14.8 | 0 | 0 | 112.4 | L166 R172 | L166-Q170 WeakPolarHBondContact O-CB 3.24Å; L166-Q170 VanDerWaalsContact O-CG 3.27Å; L166-Q170 WeakPolarHBondContact O-CG 3.41Å; L166-Q170 PolarHBondContact O-N 3.26Å; Q170-R172 PolarHBondContact O-N 2.96Å |
| 171 | F | 38.4 | Very low | 36.9 | Very low | 186 Ų | 186 | 121 Ų | 121 | 82% | 0.816 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -6.3 | 169.8 | -72.3 | -71.7 | 0 | 0 | 0 | 114.1 | Q167 R168 N169 | Q167-F171 VanDerWaalsContact O-CD2 3.22Å; Q167-F171 WeakPolarHBondContact O-CD2 3.38Å; R168-F171 PolarHBondContact O-N 2.9Å; N169-F171 PolarHBondContact O-N 2.84Å |
| 172 | R | 31.4 | Very low | 36.4 | Very low | 230 Ų | 230 | 127.7 Ų | 127.7 | 87% | 0.868 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | -1.1 | 177.7 | -110.2 | -177.7 | -165.2 | -121.1 | 1.9 | 116.3 | N169 Q170 | N169-R172 CarbonylContact O-C 3.6Å; N169-R172 PolarHBondContact O-N 2.83Å; Q170-R172 PolarHBondContact O-N 2.96Å |
| 173 | S | 28.9 | Very low | 35.9 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 57% | 0.566 | 68% | 0.681 | S | S | * | * | trans | -154.6 | 71.3 | 176.1 | -143 | 0 | 0 | 0 | 0 | 114.8 | N169 K175 | N169-S173 PolarHBondContact O-N 2.84Å; N169-S173 VanDerWaalsContact O-N 3.11Å; S173-K175 VanDerWaalsContact C-N 3.33Å; S173-K175 PolarHBondContact O-N 3.2Å | ||
| 174 | T | 31.4 | Very low | 35.1 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -91.7 | 76.8 | 149 | 55.9 | 0 | 0 | 0 | 0 | 108.5 | S176 | T174-S176 PolarHBondContact O-N 2.73Š| ||
| 175 | K | 30.2 | Very low | 34.2 | Very low | 197 Ų | 197 | 132.3 Ų | 132.3 | 86% | 0.857 | 71% | 0.712 | S | S | * | * | trans | -74.8 | 72.5 | 153.9 | -74.8 | -173.5 | 177.4 | -179.1 | 0 | 107.6 | S173 A177 | S173-K175 VanDerWaalsContact C-N 3.33Å; S173-K175 PolarHBondContact O-N 3.2Å; K175-A177 PolarHBondContact O-N 3.1Å | ||
| 176 | S | 34.3 | Very low | 33.7 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -84 | 108 | 160.5 | -179 | 0 | 0 | 0 | 0 | 106.6 | T174 G178 | T174-S176 PolarHBondContact O-N 2.73Å; S176-G178 PolarHBondContact O-N 2.8Å | ||
| 177 | A | 31.7 | Very low | 32.8 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | trans | -56.5 | 101.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | K175 | K175-A177 PolarHBondContact O-N 3.1Š| ||
| 178 | G | 32.3 | Very low | 31.8 | Very low | 61 Ų | 61 | 137.5 Ų | 137.5 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | -165.9 | 98.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | S176 | S176-G178 PolarHBondContact O-N 2.8Š| ||
| 179 | N | 32.8 | Very low | 31.1 | Very low | 165 Ų | 165 | 135 Ų | 135 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | 16.8 | 116.8 | 163.5 | -66.1 | -14.5 | 0 | 0 | 0 | 117.7 | T181 | N179-T181 PolarHBondContact O-N 2.73Š| ||
| 180 | G | 28.4 | Very low | 30.8 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | -49.6 | 132.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 181 | T | 30.1 | Very low | 30.2 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | 175.1 | 130.5 | 126.4 | 30.8 | 0 | 0 | 0 | 0 | 108.1 | N179 | N179-T181 PolarHBondContact O-N 2.73Š| |||
| 182 | R | 30.2 | Very low | 29.7 | Very low | 235 Ų | 235 | 142.2 Ų | 142.2 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | 75.2 | 80.4 | 162.7 | -57.6 | 174 | -179.5 | -165.5 | -0.6 | 116.6 | ||||
| 183 | S | 27.8 | Very low | 29.6 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | -52.5 | 144.2 | 140 | 41.5 | 0 | 0 | 0 | 0 | 109.7 | H185 | S183-H185 PolarHBondContact O-N 2.95Š| ||
| 184 | P | 27.2 | Very low | 29.5 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -63.3 | 109.1 | -178.5 | 26.7 | -31.8 | 0 | 0 | 0 | 108.6 | L186 | P184-L186 PolarHBondContact O-N 3.35Š| ||
| 185 | H | 27.7 | Very low | 29.5 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | trans | -66.5 | 102.3 | 169.1 | -106.2 | -89.1 | 0 | 0 | 0 | 107.1 | S183 S187 | S183-H185 PolarHBondContact O-N 2.95Å; H185-S187 PolarHBondContact O-N 3.45Å | ||
| 186 | L | 28.1 | Very low | 29.7 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -68.5 | 76.6 | 158 | -69.7 | 168.6 | 0 | 0 | 0 | 107 | P184 L188 | P184-L186 PolarHBondContact O-N 3.35Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 2.91Å | ||
| 187 | S | 29.5 | Very low | 29.7 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | trans | -74.6 | 87.6 | 173.1 | 57.6 | 0 | 0 | 0 | 0 | 108.2 | H185 T189 | H185-S187 PolarHBondContact O-N 3.45Å; S187-T189 PolarHBondContact O-N 3.5Å; S187-T189 PolarHBondContact O-OG1 3.27Å | ||
| 188 | L | 28.4 | Very low | 30.2 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -66.1 | 86 | 155.3 | -75.1 | 167.3 | 0 | 0 | 0 | 106.9 | L186 A190 | L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 2.91Å; L188-A190 PolarHBondContact O-N 3.39Å | ||
| 189 | T | 25.9 | Very low | 30.5 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | -71.2 | 82.4 | 173.1 | -13.7 | 0 | 0 | 0 | 0 | 107.9 | S187 R191 | S187-T189 PolarHBondContact O-N 3.5Å; S187-T189 PolarHBondContact O-OG1 3.27Å; T189-R191 PolarHBondContact O-N 3.43Å | ||
| 190 | A | 30.1 | Very low | 30.8 | Very low | 87 Ų | 87 | 130 Ų | 130 | 72% | 0.719 | 72% | 0.719 | S | S | * | * | trans | -66.8 | 86.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | L188 R192 | L188-A190 PolarHBondContact O-N 3.39Å; A190-R192 VanDerWaalsContact C-N 3.27Å; A190-R192 PolarHBondContact O-N 2.74Å | ||
| 191 | R | 28.8 | Very low | 31.2 | Very low | 232 Ų | 232 | 131.7 Ų | 131.7 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | trans | -68.4 | 91 | 168.6 | -81.3 | -174.8 | 172 | 178.9 | -1.3 | 108 | T189 A193 | T189-R191 PolarHBondContact O-N 3.43Å; R191-A193 VanDerWaalsContact C-N 3.27Å; R191-A193 PolarHBondContact O-N 3.34Å | ||
| 192 | R | 27.4 | Very low | 31.7 | Very low | 242 Ų | 242 | 132.2 Ų | 132.2 | 91% | 0.913 | 71% | 0.713 | S | S | * | * | trans | -63.9 | 88.2 | 163.3 | -71.7 | 179.3 | 175.4 | 167.3 | -1.6 | 108.1 | A190 | A190-R192 VanDerWaalsContact C-N 3.27Å; A190-R192 PolarHBondContact O-N 2.74Å | ||
| 193 | A | 29.4 | Very low | 32.2 | Very low | 62 Ų | 62 | 126.5 Ų | 126.5 | 51% | 0.512 | 71% | 0.705 | S | S | . | * | trans | -105 | 91.9 | 165 | 0 | 0 | 0 | 0 | 0 | 108.1 | R191 L196 | R191-A193 VanDerWaalsContact C-N 3.27Å; R191-A193 PolarHBondContact O-N 3.34Å; A193-L196 HydrophobicContact CB-CD1 4.38Å | ||
| 194 | S | 28.3 | Very low | 32.8 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -56.8 | 132.6 | 157.8 | 44.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 195 | S | 31.1 | Very low | 33.8 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 83% | 0.825 | 69% | 0.685 | S | S | * | * | trans | 69.2 | 98.7 | -179.1 | 75.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 196 | L | 33.3 | Very low | 34.9 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | trans | -120.2 | 121 | 164.3 | -74.6 | 167 | 0 | 0 | 0 | 110.1 | A193 V200 | A193-L196 HydrophobicContact CB-CD1 4.38Å; L196-V200 HydrophobicContact CD2-CG2 3.93Å | ||
| 197 | N | 36.2 | Very low | 36 | Very low | 109 Ų | 109 | 120.8 Ų | 120.8 | 58% | 0.583 | 66% | 0.661 | S | S | * | * | trans | -55.1 | 146.5 | 175.6 | -161.9 | -9.7 | 0 | 0 | 0 | 110.7 | D199 V200 | N197-D199 PolarHBondContact O-N 3.47Å; N197-V200 PolarHBondContact O-N 2.8Å | ||
| 198 | I | 40.5 | Very low | 37.3 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -53 | -25.9 | -177.1 | -157.9 | 88.7 | 0 | 0 | 0 | 112.2 | V200 V201 | I198-V200 VanDerWaalsContact C-N 3.32Å; I198-V200 PolarHBondContact O-N 2.89Å; I198-V201 PolarHBondContact O-N 3.27Å |
| 199 | D | 40.3 | Very low | 38.8 | Very low | 100 Ų | 100 | 113.1 Ų | 113.1 | 54% | 0.535 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -72.9 | -15.3 | -178.3 | -64.7 | -29.3 | 0 | 0 | 0 | 114.9 | N197 T203 | N197-D199 PolarHBondContact O-N 3.47Å; D199-T203 PolarHBondContact O-OG1 2.85Å |
| 200 | V | 37.4 | Very low | 40.4 | Very low | 66 Ų | 66 | 114.1 Ų | 114.1 | 40% | 0.4 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -76.1 | -28.4 | 175.4 | 179 | 0 | 0 | 0 | 0 | 111.5 | L196 N197 I198 N202 T203 | L196-V200 HydrophobicContact CD2-CG2 3.93Å; N197-V200 PolarHBondContact O-N 2.8Å; I198-V200 VanDerWaalsContact C-N 3.32Å; I198-V200 PolarHBondContact O-N 2.89Å; V200-N202 PolarHBondContact O-N 3.31Å; V200-T203 PolarHBondContact O-N 3Å |
| 201 | V | 37.2 | Very low | 41.9 | Very low | 107 Ų | 107 | 114.9 Ų | 114.9 | 65% | 0.648 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -34.8 | 179.2 | -179.6 | 0 | 0 | 0 | 0 | 111 | I198 T203 | I198-V201 PolarHBondContact O-N 3.27Å; V201-T203 PolarHBondContact O-N 3.23Å |
| 202 | N | 41.8 | Very low | 43.6 | Very low | 140 Ų | 140 | 104 Ų | 104 | 75% | 0.749 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -19 | -177.2 | -75.6 | -21.1 | 0 | 0 | 0 | 114.6 | V200 | V200-N202 PolarHBondContact O-N 3.31Š|
| 203 | T | 40.4 | Very low | 45.4 | Very low | 115 Ų | 115 | 95.2 Ų | 95.2 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -3.6 | -165.6 | -39.9 | 0 | 0 | 0 | 0 | 114.9 | D199 V200 V201 | D199-T203 PolarHBondContact O-OG1 2.85Å; V200-T203 PolarHBondContact O-N 3Å; V201-T203 PolarHBondContact O-N 3.23Å |
| 204 | C | 40.5 | Very low | 47 | Very low | 52 Ų | 52 | 96 Ų | 96 | 35% | 0.351 | 53% | 0.529 | S | S | . | . | trans | -136.5 | 89.7 | -177.4 | -71.1 | 0 | 0 | 0 | 0 | 113.7 | T206 F207 | C204-T206 PolarHBondContact O-N 2.88Å; C204-T206 VanDerWaalsContact O-N 3.08Å; C204-F207 HydrophobicContact CB-CB 3.97Å; C204-F207 PolarHBondContact O-N 3.35Å | ||
| 205 | K | 47.8 | Very low | 48.5 | Very low | 159 Ų | 159 | 93.9 Ų | 93.9 | 69% | 0.691 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -50.8 | -26.8 | 162.4 | -71.6 | -176.1 | 176 | -177.1 | 0 | 112.5 | H209 | K205-H209 PolarHBondContact O-N 2.95Å |
| 206 | T | 49.9 | Very low | 49.9 | Very low | 93 Ų | 93 | 89.1 Ų | 89.1 | 57% | 0.571 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.8 | -37.5 | 176.4 | 46.6 | 0 | 0 | 0 | 0 | 113.7 | C204 H209 E210 | C204-T206 PolarHBondContact O-N 2.88Å; C204-T206 VanDerWaalsContact O-N 3.08Å; T206-H209 PolarHBondContact O-N 3.04Å; T206-E210 PolarHBondContact O-N 3.24Å |
| 207 | F | 52.8 | Low | 51.2 | Low | 128 Ų | 128 | 90.8 Ų | 90.8 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.1 | -38.5 | 179.7 | -171.5 | -96.4 | 0 | 0 | 0 | 111.5 | C204 H209 E210 H211 | C204-F207 HydrophobicContact CB-CB 3.97Å; C204-F207 PolarHBondContact O-N 3.35Å; F207-H209 VanDerWaalsContact C-N 3.3Å; F207-H209 PolarHBondContact O-N 2.82Å; F207-E210 PolarHBondContact O-N 2.89Å; F207-H211 WeakPolarHBondContact O-CB 3.45Å; F207-H211 PolarHBondContact O-N 3.25Å |
| 208 | V | 55.5 | Low | 52.4 | Low | 34 Ų | 34 | 87.3 Ų | 87.3 | 21% | 0.206 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 173.2 | 161.9 | 0 | 0 | 0 | 0 | 111 | H211 F212 L264 W281 | V208-H211 PolarHBondContact O-N 3.28Å; V208-F212 WeakPolarHBondContact O-CB 3.26Å; V208-F212 PolarHBondContact O-N 3.17Å; V208-L264 HydrophobicContact CG1-CD2 3.87Å; V208-W281 HydrophobicContact CB-CZ2 4.35Å; V208-W281 HydrophobicContact CG1-CH2 4.2Å; V208-W281 HydrophobicContact CG1-CZ2 3.41Å; V208-W281 VanDerWaalsContact CG1-CZ2 3.41Å; V208-W281 HydrophobicContact CG2-CZ2 4.4Å |
| 209 | H | 60.5 | Low | 53.3 | Low | 56 Ų | 56 | 87 Ų | 87 | 26% | 0.259 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 178.3 | -176.3 | 63.6 | 0 | 0 | 0 | 112.9 | K205 T206 F207 H211 F212 M213 V265 P267 | K205-H209 PolarHBondContact O-N 2.95Å; T206-H209 PolarHBondContact O-N 3.04Å; F207-H209 VanDerWaalsContact C-N 3.3Å; F207-H209 PolarHBondContact O-N 2.82Å; H209-H211 VanDerWaalsContact C-N 3.32Å; H209-H211 PolarHBondContact O-N 3.04Å; H209-F212 PolarHBondContact O-N 3.23Å; H209-M213 WeakPolarHBondContact O-CG 3.46Å; H209-M213 PolarHBondContact O-N 3.45Å; H209-V265 PolarHBondContact CE1-O 3.46Å; H209-V265 PolarHBondContact ND1-O 3.49Å; H209-P267 HydrophobicContact CB-CG 3.96Å |
| 210 | E | 59.3 | Low | 54.5 | Low | 136 Ų | 136 | 88.5 Ų | 88.5 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61 | -41 | 175.6 | -82 | -165.8 | 157.3 | 0 | 0 | 112 | T206 F207 F212 M213 S214 | T206-E210 PolarHBondContact O-N 3.24Å; F207-E210 PolarHBondContact O-N 2.89Å; E210-F212 VanDerWaalsContact C-N 3.34Å; E210-F212 PolarHBondContact O-N 3.13Å; E210-M213 PolarHBondContact O-N 2.91Å; E210-S214 WeakPolarHBondContact O-CB 3.44Å; E210-S214 PolarHBondContact O-N 3.32Å |
| 211 | H | 61.1 | Low | 56.1 | Low | 103 Ų | 103 | 86 Ų | 86 | 48% | 0.477 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.2 | -171.9 | 70.7 | 0 | 0 | 0 | 111.5 | F207 V208 H209 S214 L215 | F207-H211 WeakPolarHBondContact O-CB 3.45Å; F207-H211 PolarHBondContact O-N 3.25Å; V208-H211 PolarHBondContact O-N 3.28Å; H209-H211 VanDerWaalsContact C-N 3.32Å; H209-H211 PolarHBondContact O-N 3.04Å; H211-S214 PolarHBondContact O-N 3.36Å; H211-L215 PolarHBondContact O-N 2.91Å |
| 212 | F | 64.5 | Low | 57.6 | Low | 4 Ų | 4 | 87.1 Ų | 87.1 | 2% | 0.018 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 175.9 | -178 | -93.6 | 0 | 0 | 0 | 112.1 | V208 H209 E210 S214 L215 H216 A260 V265 | V208-F212 WeakPolarHBondContact O-CB 3.26Å; V208-F212 PolarHBondContact O-N 3.17Å; H209-F212 PolarHBondContact O-N 3.23Å; E210-F212 VanDerWaalsContact C-N 3.34Å; E210-F212 PolarHBondContact O-N 3.13Å; F212-S214 VanDerWaalsContact C-N 3.34Å; F212-S214 PolarHBondContact O-N 3.12Å; F212-L215 WeakPolarHBondContact O-CB 3.4Å; F212-L215 PolarHBondContact O-N 3.17Å; F212-H216 AromaticContact CE1-CD2 3.74Å; F212-H216 AromaticContact CE1-NE2 3.91Å; F212-H216 AromaticContact CE2-CD2 3.7Å; F212-H216 AromaticContact CE2-NE2 3.32Å; F212-H216 VanDerWaalsContact CE2-NE2 3.32Å; F212-H216 WeakPolarHBondContact CE2-NE2 3.44Å; F212-H216 AromaticContact CZ-CD2 3.43Å; F212-H216 VanDerWaalsContact CZ-CD2 3.43Å; F212-H216 WeakPolarHBondContact CZ-CD2 3.43Å; F212-H216 AromaticContact CZ-CE1 3.85Å; F212-H216 AromaticContact CZ-NE2 3.13Å; F212-H216 WeakPolarHBondContact CZ-NE2 3.41Å; F212-H216 PolarHBondContact O-CD2 3Å; F212-H216 PolarHBondContact O-N 3.32Å; F212-A260 HydrophobicContact CD2-CB 4.4Å; F212-A260 HydrophobicContact CE2-CB 3.35Å; F212-A260 HydrophobicContact CZ-CB 3.76Å; F212-V265 HydrophobicContact CD1-CG1 4.44Å; F212-V265 HydrophobicContact CD1-CG2 4.29Å; F212-V265 HydrophobicContact CE1-CB 3.98Å; F212-V265 HydrophobicContact CE1-CG1 3.84Å; F212-V265 HydrophobicContact CE1-CG2 3.44Å; F212-V265 VanDerWaalsContact CE1-CG2 3.44Å; F212-V265 HydrophobicContact CE2-CG2 4.39Å; F212-V265 HydrophobicContact CZ-CB 4.5Å; F212-V265 HydrophobicContact CZ-CG2 3.49Å; F212-V265 VanDerWaalsContact CZ-CG2 3.49Å |
| 213 | M | 65.1 | Low | 59.3 | Low | 57 Ų | 57 | 84.6 Ų | 84.6 | 28% | 0.281 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 174.8 | -71.1 | -69.4 | 101.8 | 0 | 0 | 111.2 | H209 E210 L215 H216 E217 V265 | H209-M213 WeakPolarHBondContact O-CG 3.46Å; H209-M213 PolarHBondContact O-N 3.45Å; E210-M213 PolarHBondContact O-N 2.91Å; M213-L215 VanDerWaalsContact C-N 3.27Å; M213-L215 PolarHBondContact O-N 3.23Å; M213-H216 CarbonylContact O-C 3.53Å; M213-H216 PolarHBondContact O-N 3.13Å; M213-E217 WeakPolarHBondContact O-CB 3.41Å; M213-E217 PolarHBondContact O-N 3.4Å; M213-V265 HydrophobicContact CE-CG1 4.13Å |
| 214 | S | 63 | Low | 60.6 | Low | 78 Ų | 78 | 81.3 Ų | 81.3 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -32.7 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 113.2 | E210 H211 F212 H216 E217 S218 | E210-S214 WeakPolarHBondContact O-CB 3.44Å; E210-S214 PolarHBondContact O-N 3.32Å; H211-S214 PolarHBondContact O-N 3.36Å; F212-S214 VanDerWaalsContact C-N 3.34Å; F212-S214 PolarHBondContact O-N 3.12Å; S214-H216 VanDerWaalsContact C-N 3.35Å; S214-E217 CarbonylContact O-C 3.09Å; S214-S218 PolarHBondContact O-N 3.25Å |
| 215 | L | 60.2 | Low | 62.2 | Low | 63 Ų | 63 | 80.2 Ų | 80.2 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 173.3 | -89.7 | 151.6 | 0 | 0 | 0 | 112.1 | H211 F212 M213 R258 | H211-L215 PolarHBondContact O-N 2.91Å; F212-L215 WeakPolarHBondContact O-CB 3.4Å; F212-L215 PolarHBondContact O-N 3.17Å; M213-L215 VanDerWaalsContact C-N 3.27Å; M213-L215 PolarHBondContact O-N 3.23Å; L215-R258 PolarHBondContact O-NH1 2.94Å |
| 216 | H | 61.8 | Low | 63.6 | Low | 19 Ų | 19 | 74.3 Ų | 74.3 | 9% | 0.088 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -89.6 | -19.4 | -179.4 | -75.4 | -102.6 | 0 | 0 | 0 | 113.9 | F212 M213 S214 Y244 S246 H248 | F212-H216 AromaticContact CE1-CD2 3.74Å; F212-H216 AromaticContact CE1-NE2 3.91Å; F212-H216 AromaticContact CE2-CD2 3.7Å; F212-H216 AromaticContact CE2-NE2 3.32Å; F212-H216 VanDerWaalsContact CE2-NE2 3.32Å; F212-H216 WeakPolarHBondContact CE2-NE2 3.44Å; F212-H216 AromaticContact CZ-CD2 3.43Å; F212-H216 VanDerWaalsContact CZ-CD2 3.43Å; F212-H216 WeakPolarHBondContact CZ-CD2 3.43Å; F212-H216 AromaticContact CZ-CE1 3.85Å; F212-H216 AromaticContact CZ-NE2 3.13Å; F212-H216 WeakPolarHBondContact CZ-NE2 3.41Å; F212-H216 PolarHBondContact O-CD2 3Å; F212-H216 PolarHBondContact O-N 3.32Å; M213-H216 CarbonylContact O-C 3.53Å; M213-H216 PolarHBondContact O-N 3.13Å; S214-H216 VanDerWaalsContact C-N 3.35Å; H216-Y244 AromaticContact ND1-CE1 3.84Å; H216-S246 PolarHBondContact CE1-OG 2.79Å; H216-S246 PolarHBondContact ND1-OG 3.47Å; H216-H248 AromaticContact ND1-NE2 3.59Å; H216-H248 PolarHBondContact O-CE1 2.78Å |
| 217 | E | 59.4 | Low | 64.8 | Low | 153 Ų | 153 | 72.5 Ų | 72.5 | 72% | 0.715 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -114.6 | 46.8 | 177.8 | -64 | -170 | 159.8 | 0 | 0 | 111.6 | M213 S214 | M213-E217 WeakPolarHBondContact O-CB 3.41Å; M213-E217 PolarHBondContact O-N 3.4Å; S214-E217 CarbonylContact O-C 3.09Å |
| 218 | S | 61.9 | Low | 65.9 | Low | 36 Ų | 36 | 69.3 Ų | 69.3 | 25% | 0.252 | 37% | 0.368 | S | S | . | . | trans | -81.7 | 133.5 | 174.1 | 158.3 | 0 | 0 | 0 | 0 | 110.6 | S214 K220 S221 | S214-S218 PolarHBondContact O-N 3.25Å; S218-K220 PolarHBondContact O-N 3.06Å; S218-K220 VanDerWaalsContact O-N 3.09Å; S218-K220 PolarHBondContact OG-N 2.79Å; S218-K220 VanDerWaalsContact OG-N 3.08Å; S218-S221 WeakPolarHBondContact CB-OG 3.25Å; S218-S221 PolarHBondContact O-N 3.03Å; S218-S221 PolarHBondContact O-OG 3.49Å | ||
| 219 | P | 59.3 | Low | 66.9 | Low | 127 Ų | 127 | 71.7 Ų | 71.7 | 83% | 0.825 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.3 | 173.9 | 26.8 | -34.3 | 0 | 0 | 0 | 112.9 | S221 | P219-S221 VanDerWaalsContact C-N 3.34Š|
| 220 | K | 65.2 | Low | 67.7 | Low | 133 Ų | 133 | 69.1 Ų | 69.1 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -2.3 | 176.9 | -57.3 | -168.4 | 173.8 | -174 | 0 | 113.7 | S218 E251 | S218-K220 PolarHBondContact O-N 3.06Å; S218-K220 VanDerWaalsContact O-N 3.09Å; S218-K220 PolarHBondContact OG-N 2.79Å; S218-K220 VanDerWaalsContact OG-N 3.08Å; K220-E251 HydrophobicContact CB-CG 4.49Å; K220-E251 WeakPolarHBondContact CG-OE1 3.42Å; K220-E251 PolarHBondContact O-N 2.87Å |
| 221 | S | 70 | Confident | 68.7 | Low | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 120.6 | -177.7 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | S218 P219 Q249 | S218-S221 WeakPolarHBondContact CB-OG 3.25Å; S218-S221 PolarHBondContact O-N 3.03Å; S218-S221 PolarHBondContact O-OG 3.49Å; P219-S221 VanDerWaalsContact C-N 3.34Å; S221-Q249 CarbonylContact C-O 3.59Å; S221-Q249 VanDerWaalsContact CA-O 3.31Å; S221-Q249 WeakPolarHBondContact CA-O 3.45Å |
| 222 | H | 69.2 | Low | 69.5 | Low | 131 Ų | 131 | 58.2 Ų | 58.2 | 61% | 0.606 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 118.7 | 175.8 | -71.9 | -75.7 | 0 | 0 | 0 | 110.6 | L224 H248 Q249 | H222-L224 PolarHBondContact O-N 2.74Å; H222-H248 CarbonylContact O-C 3.51Å; H222-H248 VanDerWaalsContact O-CA 3.31Å; H222-H248 WeakPolarHBondContact O-CA 3.41Å; H222-Q249 HydrophobicContact CB-CB 4.49Å; H222-Q249 PolarHBondContact N-O 2.89Å; H222-Q249 PolarHBondContact O-N 2.9Å |
| 223 | L | 77 | Confident | 69.8 | Low | 88 Ų | 88 | 60.7 Ų | 60.7 | 46% | 0.461 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 111.3 | 172.3 | 179.4 | 68.6 | 0 | 0 | 0 | 109.7 | Y225 | L223-Y225 WeakPolarHBondContact CD1-O 3.46Å |
| 224 | L | 68.8 | Low | 69.5 | Low | 46 Ų | 46 | 59.5 Ų | 59.5 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -35.8 | 178.4 | -62.5 | -175.6 | 0 | 0 | 0 | 112.3 | H222 L247 Q249 L255 D339 | H222-L224 PolarHBondContact O-N 2.74Å; L224-L247 HydrophobicContact CB-CD2 4.45Å; L224-L247 HydrophobicContact CD1-CD2 4.44Å; L224-L247 PolarHBondContact N-O 3.12Å; L224-Q249 HydrophobicContact CD1-CB 3.91Å; L224-Q249 HydrophobicContact CD2-CB 4.27Å; L224-Q249 HydrophobicContact CG-CB 4.03Å; L224-L255 HydrophobicContact CD1-CD2 3.59Å; L224-D339 HydrophobicContact CD1-CB 4.22Å |
| 225 | Y | 73.8 | Confident | 69.2 | Low | 29 Ų | 29 | 60.8 Ų | 60.8 | 11% | 0.114 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 140 | -177.1 | -180 | -98 | 0 | 0 | 0 | 110.6 | L223 K227 S246 L247 S328 K331 I332 | L223-Y225 WeakPolarHBondContact CD1-O 3.46Å; Y225-K227 HydrophobicContact CE1-CB 3.75Å; Y225-K227 WeakPolarHBondContact OH-CD 3.36Å; Y225-S246 CarbonylContact O-C 3.53Å; Y225-S246 WeakPolarHBondContact O-CA 3.15Å; Y225-L247 PolarHBondContact N-O 3.45Å; Y225-L247 PolarHBondContact O-N 3.34Å; Y225-S328 PolarHBondContact OH-OG 3.38Å; Y225-S328 VanDerWaalsContact OH-OG 3.04Å; Y225-K331 HydrophobicContact CE2-CB 4.03Å; Y225-K331 HydrophobicContact CE2-CD 4.22Å; Y225-I332 HydrophobicContact CD1-CD1 3.92Å; Y225-I332 HydrophobicContact CD1-CG1 3.59Å; Y225-I332 HydrophobicContact CE1-CD1 3.76Å; Y225-I332 HydrophobicContact CE1-CG1 3.7Å; Y225-I332 HydrophobicContact CG-CG1 4.11Å |
| 226 | G | 77.1 | Confident | 68.9 | Low | 34 Ų | 34 | 65.5 Ų | 65.5 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 133.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y244 L245 | G226-Y244 WeakPolarHBondContact CA-OH 3.11Å; G226-L245 CarbonylContact C-O 3.43Å; G226-L245 WeakPolarHBondContact CA-O 3.16Å |
| 227 | K | 74.3 | Confident | 68.4 | Low | 55 Ų | 55 | 67 Ų | 67 | 24% | 0.239 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 126.3 | 174.1 | -177.5 | 166.3 | 177.5 | 170.5 | 0 | 110.9 | Y225 I230 L245 S328 | Y225-K227 HydrophobicContact CE1-CB 3.75Å; Y225-K227 WeakPolarHBondContact OH-CD 3.36Å; K227-I230 HydrophobicContact CB-CD1 3.85Å; K227-I230 HydrophobicContact CD-CD1 4.19Å; K227-I230 HydrophobicContact CG-CD1 3.95Å; K227-I230 HydrophobicContact CG-CG1 4.34Å; K227-L245 PolarHBondContact N-O 3.13Å; K227-L245 PolarHBondContact O-N 2.91Å; K227-S328 WeakPolarHBondContact CD-OG 3.43Å; K227-S328 WeakPolarHBondContact CE-OG 3.43Å; K227-S328 PolarHBondContact NZ-OG 3.26Å |
| 228 | S | 77.8 | Confident | 68.1 | Low | 61 Ų | 61 | 70.4 Ų | 70.4 | 43% | 0.427 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 165.4 | 171.4 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | I230 G243 | S228-I230 PolarHBondContact O-N 2.93Å; S228-G243 CarbonylContact C-O 3.59Å |
| 229 | N | 76.5 | Confident | 68.1 | Low | 85 Ų | 85 | 71.7 Ų | 71.7 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 63.7 | 39.4 | 171.7 | -61.4 | -31 | 0 | 0 | 0 | 113.4 | M242 G243 N262 | N229-M242 HydrophobicContact CB-CE 3.49Å; N229-M242 VanDerWaalsContact CB-CE 3.49Å; N229-M242 WeakPolarHBondContact O-CE 3.47Å; N229-G243 PolarHBondContact N-O 2.81Å; N229-N262 PolarHBondContact OD1-ND2 2.75Å |
| 230 | I | 77.4 | Confident | 68.7 | Low | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.2 | 168 | -71.5 | 167.2 | 0 | 0 | 0 | 107.5 | K227 S228 G243 L245 W259 L320 | K227-I230 HydrophobicContact CB-CD1 3.85Å; K227-I230 HydrophobicContact CD-CD1 4.19Å; K227-I230 HydrophobicContact CG-CD1 3.95Å; K227-I230 HydrophobicContact CG-CG1 4.34Å; S228-I230 PolarHBondContact O-N 2.93Å; I230-G243 PolarHBondContact N-O 2.97Å; I230-G243 PolarHBondContact O-N 3.17Å; I230-L245 HydrophobicContact CB-CB 4.37Å; I230-L245 HydrophobicContact CD1-CB 3.42Å; I230-L245 VanDerWaalsContact CD1-CB 3.42Å; I230-L245 HydrophobicContact CD1-CD2 3.62Å; I230-L245 HydrophobicContact CD1-CG 4.17Å; I230-L245 HydrophobicContact CG1-CB 4.44Å; I230-W259 PolarHBondContact O-NE1 2.89Å; I230-L320 HydrophobicContact CG2-CB 4.14Å; I230-L320 HydrophobicContact CG2-CD2 3.65Å; I230-L320 HydrophobicContact CG2-CG 4.39Å |
| 231 | A | 78.9 | Confident | 69.2 | Low | 6 Ų | 6 | 63.9 Ų | 63.9 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 142.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | I241 M242 L320 V321 | A231-I241 CarbonylContact C-O 3.59Å; A231-I241 WeakPolarHBondContact CA-O 3.26Å; A231-M242 HydrophobicContact CB-SD 3.47Å; A231-M242 WeakPolarHBondContact CB-SD 3.39Å; A231-L320 CarbonylContact O-C 3.56Å; A231-L320 WeakPolarHBondContact O-CA 3.32Å; A231-V321 WeakPolarHBondContact CA-O 3.48Å; A231-V321 HydrophobicContact CB-CB 4.38Å; A231-V321 VanDerWaalsContact CB-O 3.22Å; A231-V321 WeakPolarHBondContact CB-O 3.45Å; A231-V321 PolarHBondContact N-O 3.16Å; A231-V321 PolarHBondContact O-N 3.08Å |
| 232 | V | 77.7 | Confident | 69.8 | Low | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.1 | 167.1 | 169.8 | 0 | 0 | 0 | 0 | 108.3 | S240 I241 W259 F285 P318 S319 L320 | V232-S240 WeakPolarHBondContact O-CA 3.47Å; V232-I241 PolarHBondContact N-O 3.4Å; V232-I241 PolarHBondContact O-N 3.19Å; V232-W259 HydrophobicContact CB-CD2 4.31Å; V232-W259 HydrophobicContact CB-CE3 4.36Å; V232-W259 HydrophobicContact CB-CH2 3.75Å; V232-W259 HydrophobicContact CB-CZ2 3.66Å; V232-W259 HydrophobicContact CB-CZ3 4.1Å; V232-W259 HydrophobicContact CG2-CD2 3.44Å; V232-W259 VanDerWaalsContact CG2-CD2 3.44Å; V232-W259 HydrophobicContact CG2-CE3 3.84Å; V232-W259 HydrophobicContact CG2-CG 3.93Å; V232-W259 HydrophobicContact CG2-CH2 3.96Å; V232-W259 HydrophobicContact CG2-CZ2 3.55Å; V232-W259 HydrophobicContact CG2-CZ3 4.08Å; V232-F285 HydrophobicContact CG2-CE1 4.12Å; V232-P318 HydrophobicContact CG1-CB 3.41Å; V232-P318 VanDerWaalsContact CG1-CB 3.41Å; V232-S319 WeakPolarHBondContact CA-O 3.19Å; V232-L320 HydrophobicContact CG2-CD2 3.49Å; V232-L320 VanDerWaalsContact CG2-CD2 3.49Å |
| 233 | C | 70.4 | Confident | 70.4 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 122.8 | 171.2 | -71.4 | 0 | 0 | 0 | 0 | 109.4 | S319 V321 | C233-S319 PolarHBondContact N-O 2.96Å; C233-V321 WeakPolarHBondContact SG-CG2 3.47Å |
| 234 | S | 60.5 | Low | 70.7 | Confident | 32 Ų | 32 | 59 Ų | 59 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | trans | -66.5 | 138.8 | 170.4 | -177.6 | 0 | 0 | 0 | 0 | 110 | N236 S237 | S234-N236 PolarHBondContact O-N 2.89Å; S234-N236 PolarHBondContact OG-N 3.42Å; S234-S237 VanDerWaalsContact CB-OG 3.26Å; S234-S237 WeakPolarHBondContact CB-OG 3.22Å; S234-S237 VanDerWaalsContact O-O 3.05Å | ||
| 235 | A | 55.6 | Low | 71.5 | Confident | 104 Ų | 104 | 57 Ų | 57 | 86% | 0.86 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -62.3 | -29.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 236 | N | 54.4 | Low | 71.9 | Confident | 163 Ų | 163 | 55.6 Ų | 55.6 | 87% | 0.872 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -101.9 | -12.8 | -171.3 | -69.3 | -10.6 | 0 | 0 | 0 | 114.2 | S234 | S234-N236 PolarHBondContact O-N 2.89Å; S234-N236 PolarHBondContact OG-N 3.42Å |
| 237 | S | 52.2 | Low | 72.1 | Confident | 49 Ų | 49 | 54 Ų | 54 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | trans | -130.8 | 146.4 | 179.5 | 71.4 | 0 | 0 | 0 | 0 | 111.8 | S234 S239 | S234-S237 VanDerWaalsContact CB-OG 3.26Å; S234-S237 WeakPolarHBondContact CB-OG 3.22Å; S234-S237 VanDerWaalsContact O-O 3.05Å; S237-S239 WeakPolarHBondContact CB-OG 3.45Å; S237-S239 PolarHBondContact O-N 3.3Å; S237-S239 VanDerWaalsContact O-N 3.1Å; S237-S239 PolarHBondContact OG-OG 2.72Å | ||
| 238 | K | 51.3 | Low | 72.4 | Confident | 225 Ų | 225 | 51.4 Ų | 51.4 | 98% | 0.978 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -70.2 | 3.1 | 171.2 | -71.4 | -175.6 | 178.3 | 178.2 | 0 | 113.2 | ||
| 239 | S | 63.1 | Low | 72.4 | Confident | 63 Ų | 63 | 50 Ų | 50 | 44% | 0.441 | 29% | 0.286 | S | S | . | . | trans | -90 | 135.5 | 178.1 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | S237 | S237-S239 WeakPolarHBondContact CB-OG 3.45Å; S237-S239 PolarHBondContact O-N 3.3Å; S237-S239 VanDerWaalsContact O-N 3.1Å; S237-S239 PolarHBondContact OG-OG 2.72Å | ||
| 240 | S | 70.6 | Confident | 72.3 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 47% | 0.469 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 131.1 | 169.2 | 61.9 | 0 | 0 | 0 | 0 | 109.6 | V232 | V232-S240 WeakPolarHBondContact O-CA 3.47Å |
| 241 | I | 77.3 | Confident | 71.7 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.9 | 178.1 | -64.2 | -176.1 | 0 | 0 | 0 | 109.5 | A231 V232 W259 P261 M283 | A231-I241 CarbonylContact C-O 3.59Å; A231-I241 WeakPolarHBondContact CA-O 3.26Å; V232-I241 PolarHBondContact N-O 3.4Å; V232-I241 PolarHBondContact O-N 3.19Å; I241-W259 HydrophobicContact CG2-CH2 4.36Å; I241-W259 WeakPolarHBondContact O-CZ2 3.41Å; I241-P261 HydrophobicContact CG2-CB 4.23Å; I241-M283 HydrophobicContact CD1-CE 3.69Å; I241-M283 HydrophobicContact CD1-SD 3.56Å; I241-M283 VanDerWaalsContact CD1-SD 3.56Å; I241-M283 HydrophobicContact CG1-CE 4.43Å |
| 242 | M | 82 | Confident | 70.8 | Confident | 77 Ų | 77 | 65 Ų | 65 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 133.9 | -176.4 | -62.3 | -66.9 | -85.6 | 0 | 0 | 110.6 | N229 A231 N262 | N229-M242 HydrophobicContact CB-CE 3.49Å; N229-M242 VanDerWaalsContact CB-CE 3.49Å; N229-M242 WeakPolarHBondContact O-CE 3.47Å; A231-M242 HydrophobicContact CB-SD 3.47Å; A231-M242 WeakPolarHBondContact CB-SD 3.39Å; M242-N262 PolarHBondContact O-N 3.35Å |
| 243 | G | 82.6 | Confident | 70.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 177 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S228 N229 I230 A260 N262 | S228-G243 CarbonylContact C-O 3.59Å; N229-G243 PolarHBondContact N-O 2.81Å; I230-G243 PolarHBondContact N-O 2.97Å; I230-G243 PolarHBondContact O-N 3.17Å; G243-A260 CarbonylContact C-O 3.54Å; G243-A260 WeakPolarHBondContact CA-O 3.36Å; G243-N262 VanDerWaalsContact CA-OD1 3.31Å; G243-N262 WeakPolarHBondContact CA-OD1 3.43Å |
| 244 | Y | 82.8 | Confident | 70.1 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 21% | 0.208 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.5 | 176.7 | -176.4 | -104.7 | 0 | 0 | 0 | 110.3 | H216 G226 W259 A260 N262 | H216-Y244 AromaticContact ND1-CE1 3.84Å; G226-Y244 WeakPolarHBondContact CA-OH 3.11Å; Y244-W259 VanDerWaalsContact O-CA 3.32Å; Y244-W259 WeakPolarHBondContact O-CA 3.45Å; Y244-A260 PolarHBondContact N-O 3.45Å; Y244-A260 PolarHBondContact O-N 3.43Å; Y244-N262 PolarHBondContact N-OD1 3.04Å |
| 245 | L | 84.6 | Confident | 71.1 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135 | 172.2 | -170.3 | 71.8 | 0 | 0 | 0 | 109.6 | G226 K227 I230 L257 R258 W259 L320 I332 | G226-L245 CarbonylContact C-O 3.43Å; G226-L245 WeakPolarHBondContact CA-O 3.16Å; K227-L245 PolarHBondContact N-O 3.13Å; K227-L245 PolarHBondContact O-N 2.91Å; I230-L245 HydrophobicContact CB-CB 4.37Å; I230-L245 HydrophobicContact CD1-CB 3.42Å; I230-L245 VanDerWaalsContact CD1-CB 3.42Å; I230-L245 HydrophobicContact CD1-CD2 3.62Å; I230-L245 HydrophobicContact CD1-CG 4.17Å; I230-L245 HydrophobicContact CG1-CB 4.44Å; L245-L257 HydrophobicContact CD1-CD1 3.83Å; L245-L257 HydrophobicContact CD1-CD2 4.21Å; L245-L257 HydrophobicContact CD1-CG 3.9Å; L245-L257 HydrophobicContact CD2-CD1 4.16Å; L245-L257 HydrophobicContact CG-CD1 3.92Å; L245-R258 CarbonylContact C-O 3.51Å; L245-R258 WeakPolarHBondContact CA-O 3.37Å; L245-W259 HydrophobicContact CD1-CB 3.82Å; L245-W259 HydrophobicContact CD1-CG 4.39Å; L245-L320 HydrophobicContact CD1-CD1 4.05Å; L245-L320 HydrophobicContact CD1-CD2 4.21Å; L245-L320 HydrophobicContact CD2-CD1 4.05Å; L245-I332 HydrophobicContact CD2-CD1 3.67Å |
| 246 | S | 82.4 | Confident | 72.3 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.1 | 174.5 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | H216 Y225 H248 L257 R258 | H216-S246 PolarHBondContact CE1-OG 2.79Å; H216-S246 PolarHBondContact ND1-OG 3.47Å; Y225-S246 CarbonylContact O-C 3.53Å; Y225-S246 WeakPolarHBondContact O-CA 3.15Å; S246-H248 WeakPolarHBondContact CB-NE2 3.39Å; S246-H248 PolarHBondContact OG-CD2 2.88Å; S246-H248 PolarHBondContact OG-NE2 3.12Å; S246-L257 WeakPolarHBondContact O-CA 3.49Å; S246-R258 PolarHBondContact N-O 3.26Å; S246-R258 PolarHBondContact O-N 2.83Å |
| 247 | L | 81.4 | Confident | 73.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.3 | 174.8 | -176.9 | 69.7 | 0 | 0 | 0 | 108.8 | L224 Y225 L255 L257 L289 I332 C335 I336 | L224-L247 HydrophobicContact CB-CD2 4.45Å; L224-L247 HydrophobicContact CD1-CD2 4.44Å; L224-L247 PolarHBondContact N-O 3.12Å; Y225-L247 PolarHBondContact N-O 3.45Å; Y225-L247 PolarHBondContact O-N 3.34Å; L247-L255 HydrophobicContact CD1-CB 4.3Å; L247-L257 HydrophobicContact CB-CD1 4.29Å; L247-L257 HydrophobicContact CD1-CB 4.31Å; L247-L257 HydrophobicContact CD1-CD1 4.1Å; L247-L289 HydrophobicContact CD1-CD1 3.74Å; L247-I332 HydrophobicContact CD2-CG2 4.48Å; L247-C335 HydrophobicContact CD2-CB 3.7Å; L247-I336 HydrophobicContact CD2-CG1 4.16Å |
| 248 | H | 80.3 | Confident | 75.3 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.1 | -176.1 | -64.8 | -96.7 | 0 | 0 | 0 | 110.7 | H216 H222 S246 L255 R256 | H216-H248 AromaticContact ND1-NE2 3.59Å; H216-H248 PolarHBondContact O-CE1 2.78Å; H222-H248 CarbonylContact O-C 3.51Å; H222-H248 VanDerWaalsContact O-CA 3.31Å; H222-H248 WeakPolarHBondContact O-CA 3.41Å; S246-H248 WeakPolarHBondContact CB-NE2 3.39Å; S246-H248 PolarHBondContact OG-CD2 2.88Å; S246-H248 PolarHBondContact OG-NE2 3.12Å; H248-L255 CarbonylContact O-C 3.55Å; H248-L255 WeakPolarHBondContact O-CA 3.17Å; H248-R256 PolarHBondContact N-O 3.43Å; H248-R256 PolarHBondContact O-N 3.48Å |
| 249 | Q | 77.8 | Confident | 77 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 15% | 0.15 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.4 | 167.3 | -173.3 | 172.9 | 39.5 | 0 | 0 | 109.5 | S221 H222 L224 L255 D339 | S221-Q249 CarbonylContact C-O 3.59Å; S221-Q249 VanDerWaalsContact CA-O 3.31Å; S221-Q249 WeakPolarHBondContact CA-O 3.45Å; H222-Q249 HydrophobicContact CB-CB 4.49Å; H222-Q249 PolarHBondContact N-O 2.89Å; H222-Q249 PolarHBondContact O-N 2.9Å; L224-Q249 HydrophobicContact CD1-CB 3.91Å; L224-Q249 HydrophobicContact CD2-CB 4.27Å; L224-Q249 HydrophobicContact CG-CB 4.03Å; Q249-L255 HydrophobicContact CB-CD2 3.97Å; Q249-L255 HydrophobicContact CG-CD2 4.15Å; Q249-D339 PolarHBondContact NE2-O 2.96Å |
| 250 | L | 75.2 | Confident | 77.9 | Confident | 37 Ų | 37 | 41.4 Ų | 41.4 | 19% | 0.194 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 162.6 | 176.3 | -61.9 | 163 | 0 | 0 | 0 | 110.2 | R252 G253 N254 R256 | L250-R252 PolarHBondContact O-N 2.98Å; L250-G253 WeakPolarHBondContact O-CA 3.07Å; L250-G253 PolarHBondContact O-N 3.25Å; L250-N254 HydrophobicContact CD1-CB 4.29Å; L250-N254 PolarHBondContact N-O 2.82Å; L250-R256 HydrophobicContact CD1-CB 4.1Å; L250-R256 VanDerWaalsContact CD1-CZ 3.5Å; L250-R256 HydrophobicContact CG-CB 4.45Å |
| 251 | E | 64.7 | Low | 78.5 | Confident | 148 Ų | 148 | 38.2 Ų | 38.2 | 69% | 0.692 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -29.3 | -179.6 | -75.8 | 175.1 | -178 | 0 | 0 | 114.8 | K220 G253 | K220-E251 HydrophobicContact CB-CG 4.49Å; K220-E251 WeakPolarHBondContact CG-OE1 3.42Å; K220-E251 PolarHBondContact O-N 2.87Å; E251-G253 VanDerWaalsContact C-N 3.25Å; E251-G253 PolarHBondContact O-N 2.91Å |
| 252 | R | 59.5 | Low | 78.4 | Confident | 221 Ų | 221 | 38.5 Ų | 38.5 | 83% | 0.834 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 1.9 | 178.5 | -61.9 | -172.5 | -179.3 | -151.5 | -1.2 | 114 | L250 N254 | L250-R252 PolarHBondContact O-N 2.98Å; R252-N254 WeakPolarHBondContact CB-OD1 3.32Å; R252-N254 PolarHBondContact O-N 3.46Å; R252-N254 PolarHBondContact O-OD1 2.96Å |
| 253 | G | 63.1 | Low | 78.1 | Confident | 26 Ų | 26 | 37.4 Ų | 37.4 | 27% | 0.268 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 80.7 | -8.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L250 E251 | L250-G253 WeakPolarHBondContact O-CA 3.07Å; L250-G253 PolarHBondContact O-N 3.25Å; E251-G253 VanDerWaalsContact C-N 3.25Å; E251-G253 PolarHBondContact O-N 2.91Å |
| 254 | N | 71.3 | Confident | 77.5 | Confident | 61 Ų | 61 | 37.7 Ų | 37.7 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | trans | -61 | 139 | 175.5 | -62.8 | 39.7 | 0 | 0 | 0 | 110.1 | L250 R252 D290 | L250-N254 HydrophobicContact CD1-CB 4.29Å; L250-N254 PolarHBondContact N-O 2.82Å; R252-N254 WeakPolarHBondContact CB-OD1 3.32Å; R252-N254 PolarHBondContact O-N 3.46Å; R252-N254 PolarHBondContact O-OD1 2.96Å; N254-D290 PolarHBondContact ND2-OD2 3.34Å | ||
| 255 | L | 80.8 | Confident | 76.8 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.4 | -179.7 | -62.3 | 176.1 | 0 | 0 | 0 | 109.9 | L224 L247 H248 Q249 L289 I336 | L224-L255 HydrophobicContact CD1-CD2 3.59Å; L247-L255 HydrophobicContact CD1-CB 4.3Å; H248-L255 CarbonylContact O-C 3.55Å; H248-L255 WeakPolarHBondContact O-CA 3.17Å; Q249-L255 HydrophobicContact CB-CD2 3.97Å; Q249-L255 HydrophobicContact CG-CD2 4.15Å; L255-L289 HydrophobicContact CB-CB 4.2Å; L255-L289 HydrophobicContact CB-CD1 3.77Å; L255-L289 HydrophobicContact CB-CG 4.24Å; L255-L289 HydrophobicContact CD1-CD1 4.36Å; L255-L289 WeakPolarHBondContact O-CB 3.22Å; L255-L289 PolarHBondContact O-N 3.44Å; L255-I336 HydrophobicContact CD1-CB 4Å; L255-I336 HydrophobicContact CD1-CG1 3.83Å; L255-I336 HydrophobicContact CD1-CG2 3.97Å |
| 256 | R | 80.6 | Confident | 75.9 | Confident | 61 Ų | 61 | 40.7 Ų | 40.7 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.6 | 179.8 | -179.6 | 173.2 | -75.1 | 158.6 | 2.4 | 110 | H248 L250 R258 S286 V287 D288 | H248-R256 PolarHBondContact N-O 3.43Å; H248-R256 PolarHBondContact O-N 3.48Å; L250-R256 HydrophobicContact CD1-CB 4.1Å; L250-R256 VanDerWaalsContact CD1-CZ 3.5Å; L250-R256 HydrophobicContact CG-CB 4.45Å; R256-R258 HydrophobicContact CG-CG 4.26Å; R256-S286 WeakPolarHBondContact CD-OG 3.41Å; R256-V287 WeakPolarHBondContact CA-O 3.18Å; R256-D288 WeakPolarHBondContact CB-OD1 3.24Å; R256-D288 VanDerWaalsContact CG-OD1 3.3Å; R256-D288 WeakPolarHBondContact CG-OD1 3.43Å; R256-D288 IonicContact CZ-OD1 3.94Å; R256-D288 VanDerWaalsContact CZ-OD1 3.29Å; R256-D288 IonicContact CZ-OD2 3.12Å; R256-D288 IonicContact NE-OD1 2.78Å; R256-D288 PolarHBondContact NE-OD1 2.79Å; R256-D288 IonicContact NE-OD2 2.84Å; R256-D288 IonicContact NH2-OD1 2.99Å; R256-D288 PolarHBondContact NH2-OD1 3.06Å; R256-D288 VanDerWaalsContact NH2-OD1 3.13Å; R256-D288 IonicContact NH2-OD2 2.69Å; R256-D288 PolarHBondContact NH2-OD2 2.89Å |
| 257 | L | 84.7 | Confident | 74.7 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132.1 | 177 | -173.6 | 74.2 | 0 | 0 | 0 | 109.7 | L245 S246 L247 S286 V287 L289 F309 | L245-L257 HydrophobicContact CD1-CD1 3.83Å; L245-L257 HydrophobicContact CD1-CD2 4.21Å; L245-L257 HydrophobicContact CD1-CG 3.9Å; L245-L257 HydrophobicContact CD2-CD1 4.16Å; L245-L257 HydrophobicContact CG-CD1 3.92Å; S246-L257 WeakPolarHBondContact O-CA 3.49Å; L247-L257 HydrophobicContact CB-CD1 4.29Å; L247-L257 HydrophobicContact CD1-CB 4.31Å; L247-L257 HydrophobicContact CD1-CD1 4.1Å; L257-S286 CarbonylContact O-C 3.59Å; L257-S286 WeakPolarHBondContact O-CA 3.29Å; L257-V287 HydrophobicContact CB-CG1 3.87Å; L257-V287 HydrophobicContact CD2-CG1 4.36Å; L257-V287 PolarHBondContact N-O 2.83Å; L257-V287 PolarHBondContact O-N 2.8Å; L257-L289 HydrophobicContact CB-CD2 4.26Å; L257-F309 HydrophobicContact CD2-CD2 4.22Å; L257-F309 HydrophobicContact CD2-CE1 4.04Å; L257-F309 HydrophobicContact CD2-CE2 3.51Å; L257-F309 HydrophobicContact CD2-CZ 3.42Å; L257-F309 VanDerWaalsContact CD2-CZ 3.42Å |
| 258 | R | 84.9 | Confident | 73.5 | Confident | 38 Ų | 38 | 50.5 Ų | 50.5 | 14% | 0.143 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.5 | -177.8 | -69.5 | -179.1 | 171.8 | 167.6 | -4.2 | 111.3 | L215 L245 S246 R256 F285 S286 | L215-R258 PolarHBondContact O-NH1 2.94Å; L245-R258 CarbonylContact C-O 3.51Å; L245-R258 WeakPolarHBondContact CA-O 3.37Å; S246-R258 PolarHBondContact N-O 3.26Å; S246-R258 PolarHBondContact O-N 2.83Å; R256-R258 HydrophobicContact CG-CG 4.26Å; R258-F285 WeakPolarHBondContact CA-O 3.33Å; R258-S286 WeakPolarHBondContact CG-OG 3.02Å; R258-S286 PolarHBondContact NE-OG 3.04Å |
| 259 | W | 87.7 | Confident | 72.1 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 137.8 | 172.4 | -176.7 | 91.2 | 0 | 0 | 0 | 110.8 | I230 V232 I241 Y244 L245 P261 M283 F285 L320 | I230-W259 PolarHBondContact O-NE1 2.89Å; V232-W259 HydrophobicContact CB-CD2 4.31Å; V232-W259 HydrophobicContact CB-CE3 4.36Å; V232-W259 HydrophobicContact CB-CH2 3.75Å; V232-W259 HydrophobicContact CB-CZ2 3.66Å; V232-W259 HydrophobicContact CB-CZ3 4.1Å; V232-W259 HydrophobicContact CG2-CD2 3.44Å; V232-W259 VanDerWaalsContact CG2-CD2 3.44Å; V232-W259 HydrophobicContact CG2-CE3 3.84Å; V232-W259 HydrophobicContact CG2-CG 3.93Å; V232-W259 HydrophobicContact CG2-CH2 3.96Å; V232-W259 HydrophobicContact CG2-CZ2 3.55Å; V232-W259 HydrophobicContact CG2-CZ3 4.08Å; I241-W259 HydrophobicContact CG2-CH2 4.36Å; I241-W259 WeakPolarHBondContact O-CZ2 3.41Å; Y244-W259 VanDerWaalsContact O-CA 3.32Å; Y244-W259 WeakPolarHBondContact O-CA 3.45Å; L245-W259 HydrophobicContact CD1-CB 3.82Å; L245-W259 HydrophobicContact CD1-CG 4.39Å; W259-P261 HydrophobicContact CH2-CB 4.34Å; W259-P261 HydrophobicContact CH2-CG 3.87Å; W259-P261 HydrophobicContact CZ3-CG 3.82Å; W259-M283 HydrophobicContact CZ3-CB 4.15Å; W259-M283 VanDerWaalsContact CZ3-O 3.31Å; W259-M283 WeakPolarHBondContact CZ3-O 3.31Å; W259-F285 HydrophobicContact CB-CD1 3.99Å; W259-F285 HydrophobicContact CB-CE1 3.47Å; W259-F285 VanDerWaalsContact CB-CE1 3.47Å; W259-F285 HydrophobicContact CB-CE2 4.35Å; W259-F285 HydrophobicContact CB-CZ 3.68Å; W259-F285 HydrophobicContact CD2-CE1 4.23Å; W259-F285 HydrophobicContact CE3-CD1 4.2Å; W259-F285 HydrophobicContact CE3-CE1 4.17Å; W259-F285 AromaticContact CG-CE1 3.98Å; W259-F285 HydrophobicContact CG-CE1 3.98Å; W259-F285 HydrophobicContact CG-CZ 4.45Å; W259-F285 PolarHBondContact N-O 3.22Å; W259-F285 PolarHBondContact O-N 2.75Å; W259-F285 VanDerWaalsContact O-N 3.14Å; W259-L320 HydrophobicContact CG-CD2 4.2Å |
| 260 | A | 82.6 | Confident | 70.6 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F212 G243 Y244 V284 | F212-A260 HydrophobicContact CD2-CB 4.4Å; F212-A260 HydrophobicContact CE2-CB 3.35Å; F212-A260 HydrophobicContact CZ-CB 3.76Å; G243-A260 CarbonylContact C-O 3.54Å; G243-A260 WeakPolarHBondContact CA-O 3.36Å; Y244-A260 PolarHBondContact N-O 3.45Å; Y244-A260 PolarHBondContact O-N 3.43Å; A260-V284 HydrophobicContact CB-CG1 4.22Å; A260-V284 HydrophobicContact CB-CG2 3.91Å |
| 261 | P | 81.7 | Confident | 69.1 | Low | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 144 | 175.3 | -22.1 | 32 | 0 | 0 | 0 | 112.4 | I241 W259 E263 L264 V265 L280 M283 | I241-P261 HydrophobicContact CG2-CB 4.23Å; W259-P261 HydrophobicContact CH2-CB 4.34Å; W259-P261 HydrophobicContact CH2-CG 3.87Å; W259-P261 HydrophobicContact CZ3-CG 3.82Å; P261-E263 WeakPolarHBondContact CB-OE2 3.48Å; P261-E263 PolarHBondContact O-N 2.86Å; P261-L264 HydrophobicContact CG-CD1 4.1Å; P261-L264 WeakPolarHBondContact O-CB 3.48Å; P261-L264 PolarHBondContact O-N 2.72Å; P261-V265 WeakPolarHBondContact O-CG2 3.16Å; P261-V265 PolarHBondContact O-N 3.28Å; P261-L280 HydrophobicContact CB-CD2 4.22Å; P261-L280 HydrophobicContact CG-CD2 4.32Å; P261-M283 HydrophobicContact CG-CB 4.29Å |
| 262 | N | 76.9 | Confident | 68.2 | Low | 34 Ų | 34 | 60.4 Ų | 60.4 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.8 | -28.7 | -179.4 | -78.2 | -18.3 | 0 | 0 | 0 | 111.8 | N229 M242 G243 Y244 L264 V265 H266 | N229-N262 PolarHBondContact OD1-ND2 2.75Å; M242-N262 PolarHBondContact O-N 3.35Å; G243-N262 VanDerWaalsContact CA-OD1 3.31Å; G243-N262 WeakPolarHBondContact CA-OD1 3.43Å; Y244-N262 PolarHBondContact N-OD1 3.04Å; N262-L264 VanDerWaalsContact C-N 3.25Å; N262-L264 PolarHBondContact O-N 2.99Å; N262-V265 PolarHBondContact O-N 3.49Å; N262-V265 VanDerWaalsContact O-N 3.17Å; N262-H266 PolarHBondContact O-N 3.24Å |
| 263 | E | 74.4 | Confident | 67.6 | Low | 55 Ų | 55 | 59.4 Ų | 59.4 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.7 | -30.3 | 177.8 | -59.8 | 87.9 | 170 | 0 | 0 | 112.4 | P261 T270 L280 | P261-E263 WeakPolarHBondContact CB-OE2 3.48Å; P261-E263 PolarHBondContact O-N 2.86Å; E263-T270 HydrophobicContact CB-CG2 4.35Å; E263-T270 HydrophobicContact CG-CG2 3.8Å; E263-L280 HydrophobicContact CB-CD1 3.95Å |
| 264 | L | 70.5 | Confident | 66.9 | Low | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -80.9 | -32.4 | 173.6 | -93.2 | 151.6 | 0 | 0 | 0 | 112.3 | V208 P261 N262 L280 W281 V284 | V208-L264 HydrophobicContact CG1-CD2 3.87Å; P261-L264 HydrophobicContact CG-CD1 4.1Å; P261-L264 WeakPolarHBondContact O-CB 3.48Å; P261-L264 PolarHBondContact O-N 2.72Å; N262-L264 VanDerWaalsContact C-N 3.25Å; N262-L264 PolarHBondContact O-N 2.99Å; L264-L280 HydrophobicContact CD1-CB 3.67Å; L264-L280 HydrophobicContact CG-CB 4.37Å; L264-W281 HydrophobicContact CD1-CD2 4.05Å; L264-W281 HydrophobicContact CD1-CE3 4.06Å; L264-W281 HydrophobicContact CD1-CG 4.41Å; L264-W281 HydrophobicContact CD2-CD2 3.56Å; L264-W281 HydrophobicContact CD2-CE3 3.81Å; L264-W281 HydrophobicContact CD2-CG 4.36Å; L264-W281 HydrophobicContact CD2-CH2 3.52Å; L264-W281 HydrophobicContact CD2-CZ2 3.28Å; L264-W281 HydrophobicContact CD2-CZ3 3.77Å; L264-W281 HydrophobicContact CG-CD2 4.48Å; L264-V284 HydrophobicContact CD1-CG2 3.81Å |
| 265 | V | 67.2 | Low | 66.1 | Low | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75 | -39.4 | 178.5 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | H209 F212 M213 P261 N262 | H209-V265 PolarHBondContact CE1-O 3.46Å; H209-V265 PolarHBondContact ND1-O 3.49Å; F212-V265 HydrophobicContact CD1-CG1 4.44Å; F212-V265 HydrophobicContact CD1-CG2 4.29Å; F212-V265 HydrophobicContact CE1-CB 3.98Å; F212-V265 HydrophobicContact CE1-CG1 3.84Å; F212-V265 HydrophobicContact CE1-CG2 3.44Å; F212-V265 VanDerWaalsContact CE1-CG2 3.44Å; F212-V265 HydrophobicContact CE2-CG2 4.39Å; F212-V265 HydrophobicContact CZ-CB 4.5Å; F212-V265 HydrophobicContact CZ-CG2 3.49Å; F212-V265 VanDerWaalsContact CZ-CG2 3.49Å; M213-V265 HydrophobicContact CE-CG1 4.13Å; P261-V265 WeakPolarHBondContact O-CG2 3.16Å; P261-V265 PolarHBondContact O-N 3.28Å; N262-V265 PolarHBondContact O-N 3.49Å; N262-V265 VanDerWaalsContact O-N 3.17Å |
| 266 | H | 65.5 | Low | 64.9 | Low | 112 Ų | 112 | 66.8 Ų | 66.8 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | trans | -129.4 | 76.9 | -177.2 | -64.2 | -60.9 | 0 | 0 | 0 | 111.2 | N262 E268 H269 | N262-H266 PolarHBondContact O-N 3.24Å; H266-E268 PolarHBondContact O-N 3.42Å; H266-H269 PolarHBondContact O-N 2.98Å | ||
| 267 | P | 58.2 | Low | 63.7 | Low | 29 Ų | 29 | 66.9 Ų | 66.9 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -65.2 | -21.1 | -177.8 | 23.7 | -32 | 0 | 0 | 0 | 113.7 | H209 H269 | H209-P267 HydrophobicContact CB-CG 3.96Å; P267-H269 VanDerWaalsContact C-N 3.28Å; P267-H269 PolarHBondContact O-N 3.11Å |
| 268 | E | 55.9 | Low | 62.3 | Low | 178 Ų | 178 | 72.4 Ų | 72.4 | 83% | 0.832 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -70.1 | -22.3 | -176.8 | -55.8 | -152.8 | 173.5 | 0 | 0 | 113.8 | H266 | H266-E268 PolarHBondContact O-N 3.42Š|
| 269 | H | 50.2 | Low | 61.4 | Low | 170 Ų | 170 | 73.4 Ų | 73.4 | 79% | 0.787 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -99.8 | 0.9 | -173.9 | -82.9 | -70.6 | 0 | 0 | 0 | 115 | H266 P267 | H266-H269 PolarHBondContact O-N 2.98Å; P267-H269 VanDerWaalsContact C-N 3.28Å; P267-H269 PolarHBondContact O-N 3.11Å |
| 270 | T | 46.3 | Very low | 60.5 | Low | 46 Ų | 46 | 74.2 Ų | 74.2 | 28% | 0.282 | 41% | 0.41 | S | S | . | . | trans | -113.7 | 96.6 | -178.2 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | E263 I272 | E263-T270 HydrophobicContact CB-CG2 4.35Å; E263-T270 HydrophobicContact CG-CG2 3.8Å; T270-I272 PolarHBondContact O-N 2.94Å; T270-I272 VanDerWaalsContact O-N 3.15Å | ||
| 271 | A | 45.1 | Very low | 59.9 | Low | 103 Ų | 103 | 77.8 Ų | 77.8 | 85% | 0.851 | 42% | 0.423 | S | S | * | . | trans | -74.5 | 21.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E273 | A271-E273 PolarHBondContact O-N 3.43Š| ||
| 272 | I | 45.4 | Very low | 59.3 | Low | 107 Ų | 107 | 84.4 Ų | 84.4 | 55% | 0.549 | 46% | 0.459 | S | S | . | . | trans | -88.7 | 93.4 | -177.8 | -60.5 | 173.8 | 0 | 0 | 0 | 107.6 | T270 S274 | T270-I272 PolarHBondContact O-N 2.94Å; T270-I272 VanDerWaalsContact O-N 3.15Å; I272-S274 WeakPolarHBondContact CG2-OG 3.05Å; I272-S274 PolarHBondContact O-N 3.41Å | ||
| 273 | E | 47 | Very low | 59.1 | Low | 200 Ų | 200 | 84.4 Ų | 84.4 | 94% | 0.935 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 0.9 | 171.8 | -73 | -178.6 | 151.8 | 0 | 0 | 113.8 | A271 | A271-E273 PolarHBondContact O-N 3.43Š|
| 274 | S | 49 | Very low | 59.3 | Low | 99 Ų | 99 | 84.1 Ų | 84.1 | 69% | 0.692 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -6.1 | -165.4 | 63.1 | 0 | 0 | 0 | 0 | 116.8 | I272 | I272-S274 WeakPolarHBondContact CG2-OG 3.05Å; I272-S274 PolarHBondContact O-N 3.41Å |
| 275 | L | 53.5 | Low | 59.9 | Low | 87 Ų | 87 | 84.9 Ų | 84.9 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -120.9 | 124.7 | 173.8 | -133.8 | 72.9 | 0 | 0 | 0 | 110.2 | S277 T279 L280 | L275-S277 PolarHBondContact O-N 2.83Å; L275-T279 WeakPolarHBondContact CG-OG1 3.25Å; L275-L280 HydrophobicContact CD2-CD2 3.54Å; L275-L280 HydrophobicContact CD2-CG 3.91Å |
| 276 | S | 54.8 | Low | 60.6 | Low | 68 Ų | 68 | 87.5 Ų | 87.5 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | trans | -62.7 | 136.5 | 176.2 | 64.4 | 0 | 0 | 0 | 0 | 109 | D278 T279 | S276-D278 PolarHBondContact O-N 3.49Å; S276-T279 PolarHBondContact O-N 2.91Å; S276-T279 PolarHBondContact O-OG1 3.06Å; S276-T279 WeakPolarHBondContact OG-CG2 3.1Å; S276-T279 PolarHBondContact OG-OG1 3.17Å | ||
| 277 | S | 56.4 | Low | 61.4 | Low | 64 Ų | 64 | 82.2 Ų | 82.2 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -52.4 | -32 | -179.8 | -168.3 | 0 | 0 | 0 | 0 | 112.4 | L275 L280 W281 | L275-S277 PolarHBondContact O-N 2.83Å; S277-L280 PolarHBondContact O-N 3.18Å; S277-W281 PolarHBondContact O-N 2.73Å |
| 278 | D | 56.1 | Low | 62.5 | Low | 116 Ų | 116 | 82.7 Ų | 82.7 | 62% | 0.62 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 177.6 | -69 | -20.3 | 0 | 0 | 0 | 112.5 | S276 L280 W281 D282 | S276-D278 PolarHBondContact O-N 3.49Å; D278-L280 PolarHBondContact O-N 2.76Å; D278-W281 PolarHBondContact O-N 2.91Å; D278-W281 VanDerWaalsContact O-N 3.15Å; D278-D282 PolarHBondContact O-N 3.14Å |
| 279 | T | 65.8 | Low | 63.6 | Low | 59 Ų | 59 | 75.3 Ų | 75.3 | 36% | 0.362 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.6 | -22.7 | 179.5 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | L275 S276 M283 | L275-T279 WeakPolarHBondContact CG-OG1 3.25Å; S276-T279 PolarHBondContact O-N 2.91Å; S276-T279 PolarHBondContact O-OG1 3.06Å; S276-T279 WeakPolarHBondContact OG-CG2 3.1Å; S276-T279 PolarHBondContact OG-OG1 3.17Å; T279-M283 WeakPolarHBondContact O-CG 3.42Å |
| 280 | L | 68.7 | Low | 64.8 | Low | 19 Ų | 19 | 70.9 Ų | 70.9 | 10% | 0.099 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -75.7 | -37.1 | 174.6 | -72.4 | 170.8 | 0 | 0 | 0 | 111.9 | P261 E263 L264 L275 S277 D278 D282 M283 | P261-L280 HydrophobicContact CB-CD2 4.22Å; P261-L280 HydrophobicContact CG-CD2 4.32Å; E263-L280 HydrophobicContact CB-CD1 3.95Å; L264-L280 HydrophobicContact CD1-CB 3.67Å; L264-L280 HydrophobicContact CG-CB 4.37Å; L275-L280 HydrophobicContact CD2-CD2 3.54Å; L275-L280 HydrophobicContact CD2-CG 3.91Å; S277-L280 PolarHBondContact O-N 3.18Å; D278-L280 PolarHBondContact O-N 2.76Å; L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 2.97Å; L280-M283 WeakPolarHBondContact O-CB 3.03Å; L280-M283 PolarHBondContact O-N 3.05Å; L280-M283 VanDerWaalsContact O-N 3.17Å |
| 281 | W | 70.3 | Confident | 66.4 | Low | 76 Ų | 76 | 71.9 Ų | 71.9 | 29% | 0.288 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.5 | -34.7 | 178 | -76.5 | 118.3 | 0 | 0 | 0 | 112.5 | V208 L264 S277 D278 M283 V284 | V208-W281 HydrophobicContact CB-CZ2 4.35Å; V208-W281 HydrophobicContact CG1-CH2 4.2Å; V208-W281 HydrophobicContact CG1-CZ2 3.41Å; V208-W281 VanDerWaalsContact CG1-CZ2 3.41Å; V208-W281 HydrophobicContact CG2-CZ2 4.4Å; L264-W281 HydrophobicContact CD1-CD2 4.05Å; L264-W281 HydrophobicContact CD1-CE3 4.06Å; L264-W281 HydrophobicContact CD1-CG 4.41Å; L264-W281 HydrophobicContact CD2-CD2 3.56Å; L264-W281 HydrophobicContact CD2-CE3 3.81Å; L264-W281 HydrophobicContact CD2-CG 4.36Å; L264-W281 HydrophobicContact CD2-CH2 3.52Å; L264-W281 HydrophobicContact CD2-CZ2 3.28Å; L264-W281 HydrophobicContact CD2-CZ3 3.77Å; L264-W281 HydrophobicContact CG-CD2 4.48Å; S277-W281 PolarHBondContact O-N 2.73Å; D278-W281 PolarHBondContact O-N 2.91Å; D278-W281 VanDerWaalsContact O-N 3.15Å; W281-M283 PolarHBondContact O-N 3.42Å; W281-V284 HydrophobicContact CE3-CB 4.49Å; W281-V284 HydrophobicContact CE3-CG2 3.84Å; W281-V284 HydrophobicContact CZ3-CG2 4.34Å; W281-V284 WeakPolarHBondContact O-CB 3.49Å; W281-V284 PolarHBondContact O-N 3.28Å |
| 282 | D | 68 | Low | 67.8 | Low | 139 Ų | 139 | 67.5 Ų | 67.5 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.1 | 175 | -70.1 | -23.4 | 0 | 0 | 0 | 113.3 | D278 L280 | D278-D282 PolarHBondContact O-N 3.14Å; L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 2.97Å |
| 283 | M | 73.8 | Confident | 69.2 | Low | 33 Ų | 33 | 64.8 Ų | 64.8 | 16% | 0.163 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -13.4 | 178.8 | -51.3 | -172.6 | 85.1 | 0 | 0 | 113.2 | I241 W259 P261 T279 L280 W281 | I241-M283 HydrophobicContact CD1-CE 3.69Å; I241-M283 HydrophobicContact CD1-SD 3.56Å; I241-M283 VanDerWaalsContact CD1-SD 3.56Å; I241-M283 HydrophobicContact CG1-CE 4.43Å; W259-M283 HydrophobicContact CZ3-CB 4.15Å; W259-M283 VanDerWaalsContact CZ3-O 3.31Å; W259-M283 WeakPolarHBondContact CZ3-O 3.31Å; P261-M283 HydrophobicContact CG-CB 4.29Å; T279-M283 WeakPolarHBondContact O-CG 3.42Å; L280-M283 WeakPolarHBondContact O-CB 3.03Å; L280-M283 PolarHBondContact O-N 3.05Å; L280-M283 VanDerWaalsContact O-N 3.17Å; W281-M283 PolarHBondContact O-N 3.42Å |
| 284 | V | 77.7 | Confident | 70.3 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 30% | 0.303 | 33% | 0.326 | S | S | . | . | trans | -70.7 | 132.4 | 177 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | A260 L264 W281 | A260-V284 HydrophobicContact CB-CG1 4.22Å; A260-V284 HydrophobicContact CB-CG2 3.91Å; L264-V284 HydrophobicContact CD1-CG2 3.81Å; W281-V284 HydrophobicContact CE3-CB 4.49Å; W281-V284 HydrophobicContact CE3-CG2 3.84Å; W281-V284 HydrophobicContact CZ3-CG2 4.34Å; W281-V284 WeakPolarHBondContact O-CB 3.49Å; W281-V284 PolarHBondContact O-N 3.28Å | ||
| 285 | F | 82.7 | Confident | 71.5 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 150.1 | 174.2 | 74.7 | -93.2 | 0 | 0 | 0 | 111.9 | V232 R258 W259 P318 L320 | V232-F285 HydrophobicContact CG2-CE1 4.12Å; R258-F285 WeakPolarHBondContact CA-O 3.33Å; W259-F285 HydrophobicContact CB-CD1 3.99Å; W259-F285 HydrophobicContact CB-CE1 3.47Å; W259-F285 VanDerWaalsContact CB-CE1 3.47Å; W259-F285 HydrophobicContact CB-CE2 4.35Å; W259-F285 HydrophobicContact CB-CZ 3.68Å; W259-F285 HydrophobicContact CD2-CE1 4.23Å; W259-F285 HydrophobicContact CE3-CD1 4.2Å; W259-F285 HydrophobicContact CE3-CE1 4.17Å; W259-F285 AromaticContact CG-CE1 3.98Å; W259-F285 HydrophobicContact CG-CE1 3.98Å; W259-F285 HydrophobicContact CG-CZ 4.45Å; W259-F285 PolarHBondContact N-O 3.22Å; W259-F285 PolarHBondContact O-N 2.75Å; W259-F285 VanDerWaalsContact O-N 3.14Å; F285-P318 HydrophobicContact CD1-CB 4.13Å; F285-P318 HydrophobicContact CD1-CG 3.78Å; F285-P318 HydrophobicContact CE1-CB 3.99Å; F285-P318 HydrophobicContact CE1-CG 4.13Å; F285-P318 HydrophobicContact CG-CG 4.31Å; F285-L320 HydrophobicContact CE1-CD2 4.38Å; F285-L320 HydrophobicContact CZ-CD2 4.07Å; F285-L320 HydrophobicContact CZ-CG 4.47Å |
| 286 | S | 82.8 | Confident | 72.1 | Confident | 61 Ų | 61 | 51 Ų | 51 | 43% | 0.427 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 126.9 | 175 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | R256 L257 R258 | R256-S286 WeakPolarHBondContact CD-OG 3.41Å; L257-S286 CarbonylContact O-C 3.59Å; L257-S286 WeakPolarHBondContact O-CA 3.29Å; R258-S286 WeakPolarHBondContact CG-OG 3.02Å; R258-S286 PolarHBondContact NE-OG 3.04Å |
| 287 | V | 81 | Confident | 72.7 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.3 | 178.8 | 68.7 | 0 | 0 | 0 | 0 | 109.9 | R256 L257 I291 V292 Y317 | R256-V287 WeakPolarHBondContact CA-O 3.18Å; L257-V287 HydrophobicContact CB-CG1 3.87Å; L257-V287 HydrophobicContact CD2-CG1 4.36Å; L257-V287 PolarHBondContact N-O 2.83Å; L257-V287 PolarHBondContact O-N 2.8Å; V287-I291 HydrophobicContact CG2-CD1 4.24Å; V287-I291 HydrophobicContact CG2-CG1 4.33Å; V287-V292 HydrophobicContact CG2-CG2 3.8Å; V287-Y317 HydrophobicContact CB-CD1 4.23Å; V287-Y317 HydrophobicContact CB-CE1 4Å; V287-Y317 HydrophobicContact CB-CE2 4.45Å; V287-Y317 HydrophobicContact CG2-CD1 4.23Å; V287-Y317 HydrophobicContact CG2-CD2 3.98Å; V287-Y317 HydrophobicContact CG2-CE1 3.75Å; V287-Y317 HydrophobicContact CG2-CE2 3.47Å; V287-Y317 VanDerWaalsContact CG2-CE2 3.47Å; V287-Y317 HydrophobicContact CG2-CG 4.34Å |
| 288 | D | 81.8 | Confident | 73.2 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 21% | 0.214 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.6 | 169 | -71.2 | -30.5 | 0 | 0 | 0 | 108.9 | R256 D290 I291 | R256-D288 WeakPolarHBondContact CB-OD1 3.24Å; R256-D288 VanDerWaalsContact CG-OD1 3.3Å; R256-D288 WeakPolarHBondContact CG-OD1 3.43Å; R256-D288 IonicContact CZ-OD1 3.94Å; R256-D288 VanDerWaalsContact CZ-OD1 3.29Å; R256-D288 IonicContact CZ-OD2 3.12Å; R256-D288 IonicContact NE-OD1 2.78Å; R256-D288 PolarHBondContact NE-OD1 2.79Å; R256-D288 IonicContact NE-OD2 2.84Å; R256-D288 IonicContact NH2-OD1 2.99Å; R256-D288 PolarHBondContact NH2-OD1 3.06Å; R256-D288 VanDerWaalsContact NH2-OD1 3.13Å; R256-D288 IonicContact NH2-OD2 2.69Å; R256-D288 PolarHBondContact NH2-OD2 2.89Å; D288-D290 WeakPolarHBondContact CB-OD1 3.25Å; D288-D290 PolarHBondContact O-N 2.76Å; D288-I291 HydrophobicContact CB-CG1 4.38Å; D288-I291 WeakPolarHBondContact O-CG1 3.41Å; D288-I291 PolarHBondContact O-N 3.05Å |
| 289 | L | 78.6 | Confident | 73.4 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -8.8 | -175.3 | -66.9 | -175.7 | 0 | 0 | 0 | 112.8 | L247 L255 L257 V292 F309 I336 | L247-L289 HydrophobicContact CD1-CD1 3.74Å; L255-L289 HydrophobicContact CB-CB 4.2Å; L255-L289 HydrophobicContact CB-CD1 3.77Å; L255-L289 HydrophobicContact CB-CG 4.24Å; L255-L289 HydrophobicContact CD1-CD1 4.36Å; L255-L289 WeakPolarHBondContact O-CB 3.22Å; L255-L289 PolarHBondContact O-N 3.44Å; L257-L289 HydrophobicContact CB-CD2 4.26Å; L289-V292 HydrophobicContact CD2-CG2 4.15Å; L289-F309 HydrophobicContact CD2-CD1 4.23Å; L289-F309 HydrophobicContact CD2-CE1 4Å; L289-I336 HydrophobicContact CD1-CD1 3.52Å; L289-I336 HydrophobicContact CD1-CG1 3.7Å |
| 290 | D | 76.9 | Confident | 73.3 | Confident | 78 Ų | 78 | 53.5 Ų | 53.5 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -32.6 | 173.5 | 56.3 | 5.8 | 0 | 0 | 0 | 112.7 | N254 D288 | N254-D290 PolarHBondContact ND2-OD2 3.34Å; D288-D290 WeakPolarHBondContact CB-OD1 3.25Å; D288-D290 PolarHBondContact O-N 2.76Å |
| 291 | I | 78.9 | Confident | 72.5 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 34% | 0.338 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -85.2 | -8.6 | 176.7 | 60.8 | 163.9 | 0 | 0 | 0 | 113 | V287 D288 S293 G311 C312 Y317 | V287-I291 HydrophobicContact CG2-CD1 4.24Å; V287-I291 HydrophobicContact CG2-CG1 4.33Å; D288-I291 HydrophobicContact CB-CG1 4.38Å; D288-I291 WeakPolarHBondContact O-CG1 3.41Å; D288-I291 PolarHBondContact O-N 3.05Å; I291-S293 PolarHBondContact O-N 3.23Å; I291-G311 CarbonylContact O-C 3.58Å; I291-G311 WeakPolarHBondContact O-CA 3.27Å; I291-C312 PolarHBondContact O-N 3.18Å; I291-C312 PolarHBondContact O-SG 3.18Å; I291-Y317 VanDerWaalsContact CD1-OH 3.29Å; I291-Y317 WeakPolarHBondContact CD1-OH 3.13Å |
| 292 | V | 75.1 | Confident | 71.3 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 118.7 | 178.6 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | V287 L289 C294 I295 F309 V310 | V287-V292 HydrophobicContact CG2-CG2 3.8Å; L289-V292 HydrophobicContact CD2-CG2 4.15Å; V292-C294 WeakPolarHBondContact CG1-O 3.39Å; V292-I295 HydrophobicContact CG1-CG1 4.14Å; V292-F309 HydrophobicContact CG1-CB 4.36Å; V292-F309 HydrophobicContact CG1-CD1 3.99Å; V292-F309 HydrophobicContact CG2-CB 4.33Å; V292-F309 HydrophobicContact CG2-CD1 4.19Å; V292-V310 CarbonylContact C-O 3.48Å; V292-V310 WeakPolarHBondContact CA-O 3.48Å |
| 293 | S | 73.5 | Confident | 70.6 | Confident | 51 Ų | 51 | 58 Ų | 58 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -41.2 | 179.4 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | I291 V310 G311 | I291-S293 PolarHBondContact O-N 3.23Å; S293-V310 PolarHBondContact N-O 3.22Å; S293-V310 PolarHBondContact OG-O 3.42Å; S293-G311 PolarHBondContact OG-O 3.28Å |
| 294 | C | 70.6 | Confident | 69.9 | Low | 23 Ų | 23 | 56.6 Ų | 56.6 | 16% | 0.155 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 158.5 | 176.1 | 68.1 | 0 | 0 | 0 | 0 | 112.5 | V292 H296 V310 | V292-C294 WeakPolarHBondContact CG1-O 3.39Å; C294-H296 VanDerWaalsContact SG-CD2 3.59Å; C294-H296 PolarHBondContact SG-NE2 3.43Å; C294-V310 PolarHBondContact N-O 2.83Å; C294-V310 PolarHBondContact O-N 3.18Å |
| 295 | I | 73.6 | Confident | 69.2 | Low | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.092 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.5 | 174.4 | -56.5 | 174.9 | 0 | 0 | 0 | 107.3 | V292 V307 F309 | V292-I295 HydrophobicContact CG1-CG1 4.14Å; I295-V307 HydrophobicContact CG2-CG1 3.53Å; I295-F309 HydrophobicContact CD1-CD1 4.07Å; I295-F309 HydrophobicContact CD1-CE1 3.62Å; I295-F309 HydrophobicContact CD1-CZ 4.49Å; I295-F309 HydrophobicContact CG1-CD1 3.81Å; I295-F309 HydrophobicContact CG1-CE1 3.88Å; I295-F309 HydrophobicContact CG2-CE1 4.5Å |
| 296 | H | 67.3 | Low | 68.5 | Low | 55 Ų | 55 | 54.4 Ų | 54.4 | 26% | 0.255 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131 | 177 | -74.7 | -169.7 | 0 | 0 | 0 | 110.1 | C294 V307 V308 | C294-H296 VanDerWaalsContact SG-CD2 3.59Å; C294-H296 PolarHBondContact SG-NE2 3.43Å; H296-V307 CarbonylContact O-C 3.57Å; H296-V307 WeakPolarHBondContact O-CA 3.42Å; H296-V308 HydrophobicContact CB-CB 4.29Å; H296-V308 PolarHBondContact N-O 2.84Å; H296-V308 PolarHBondContact O-N 3.35Å |
| 297 | C | 66.7 | Low | 68 | Low | 60 Ų | 60 | 51.5 Ų | 51.5 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121 | 176 | -66.6 | 0 | 0 | 0 | 0 | 109.6 | V305 A306 | C297-V305 HydrophobicContact CB-CG1 4.42Å; C297-A306 CarbonylContact C-O 3.47Å; C297-A306 WeakPolarHBondContact CA-O 3.19Å |
| 298 | H | 66.6 | Low | 67.8 | Low | 102 Ų | 102 | 52 Ų | 52 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.9 | 176.3 | -64.7 | -78.8 | 0 | 0 | 0 | 110.3 | V305 A306 | H298-V305 CarbonylContact O-C 3.3Å; H298-V305 WeakPolarHBondContact O-CA 3.33Å; H298-A306 HydrophobicContact CB-CB 4.16Å; H298-A306 PolarHBondContact N-O 3.28Å; H298-A306 PolarHBondContact O-N 2.93Å |
| 299 | T | 62 | Low | 67.6 | Low | 131 Ų | 131 | 50.1 Ų | 50.1 | 80% | 0.804 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 120.3 | 171.3 | 51.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 300 | V | 62.6 | Low | 67.3 | Low | 67 Ų | 67 | 49.7 Ų | 49.7 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.4 | 172 | -175.2 | 0 | 0 | 0 | 0 | 107.6 | G304 A306 | V300-G304 PolarHBondContact N-O 2.89Å; V300-G304 WeakPolarHBondContact O-CA 3.49Å; V300-G304 PolarHBondContact O-N 3.4Å; V300-G304 VanDerWaalsContact O-O 3.05Å; V300-A306 HydrophobicContact CG2-CB 3.63Å |
| 301 | A | 51.6 | Low | 67 | Low | 94 Ų | 94 | 46 Ų | 46 | 78% | 0.777 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 148.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 302 | P | 44.9 | Very low | 66.7 | Low | 125 Ų | 125 | 47.5 Ų | 47.5 | 81% | 0.812 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.7 | -10.5 | -31.2 | 10 | 9.5 | 0 | 0 | 0 | 112.9 | ||
| 303 | N | 53.7 | Low | 66.6 | Low | 108 Ų | 108 | 52 Ų | 52 | 58% | 0.578 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.9 | 7.6 | -172.3 | -68.2 | -15.4 | 0 | 0 | 0 | 114.6 | ||
| 304 | G | 59.1 | Low | 66.3 | Low | 5 Ų | 5 | 51.9 Ų | 51.9 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 145.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V300 | V300-G304 PolarHBondContact N-O 2.89Å; V300-G304 WeakPolarHBondContact O-CA 3.49Å; V300-G304 PolarHBondContact O-N 3.4Å; V300-G304 VanDerWaalsContact O-O 3.05Å |
| 305 | V | 62.2 | Low | 66.4 | Low | 19 Ų | 19 | 54.4 Ų | 54.4 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.8 | 164.6 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | C297 H298 V307 S322 C325 I326 | C297-V305 HydrophobicContact CB-CG1 4.42Å; H298-V305 CarbonylContact O-C 3.3Å; H298-V305 WeakPolarHBondContact O-CA 3.33Å; V305-V307 HydrophobicContact CG1-CG2 4.17Å; V305-S322 PolarHBondContact N-O 3.43Å; V305-S322 PolarHBondContact O-N 2.82Å; V305-C325 HydrophobicContact CB-CB 4Å; V305-C325 HydrophobicContact CG1-CB 4.5Å; V305-I326 HydrophobicContact CG2-CD1 3.95Å; V305-I326 HydrophobicContact CG2-CG1 3.7Å |
| 306 | A | 69.8 | Low | 66.5 | Low | 6 Ų | 6 | 59.8 Ų | 59.8 | 5% | 0.05 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | C297 H298 V300 S319 L320 V321 | C297-A306 CarbonylContact C-O 3.47Å; C297-A306 WeakPolarHBondContact CA-O 3.19Å; H298-A306 HydrophobicContact CB-CB 4.16Å; H298-A306 PolarHBondContact N-O 3.28Å; H298-A306 PolarHBondContact O-N 2.93Å; V300-A306 HydrophobicContact CG2-CB 3.63Å; A306-S319 WeakPolarHBondContact CB-OG 3.49Å; A306-L320 CarbonylContact C-O 3.55Å; A306-L320 VanDerWaalsContact CA-O 3.27Å; A306-L320 WeakPolarHBondContact CA-O 3.49Å; A306-V321 HydrophobicContact CB-CG2 4.03Å |
| 307 | V | 71.7 | Confident | 67 | Low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.2 | -179.8 | -176.4 | 0 | 0 | 0 | 0 | 109 | I295 H296 V305 F309 S319 L320 M329 | I295-V307 HydrophobicContact CG2-CG1 3.53Å; H296-V307 CarbonylContact O-C 3.57Å; H296-V307 WeakPolarHBondContact O-CA 3.42Å; V305-V307 HydrophobicContact CG1-CG2 4.17Å; V307-F309 HydrophobicContact CG1-CE2 4.07Å; V307-F309 HydrophobicContact CG1-CZ 4.41Å; V307-S319 WeakPolarHBondContact O-CA 3.46Å; V307-L320 HydrophobicContact CB-CB 4.44Å; V307-L320 PolarHBondContact N-O 3.32Å; V307-L320 PolarHBondContact O-N 2.84Å; V307-M329 HydrophobicContact CG1-CE 4.28Å; V307-M329 HydrophobicContact CG1-SD 4.13Å; V307-M329 HydrophobicContact CG2-CG 3.79Å; V307-M329 HydrophobicContact CG2-SD 4.19Å |
| 308 | V | 75.6 | Confident | 67.5 | Low | 10 Ų | 10 | 58.8 Ų | 58.8 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.8 | -179.8 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | H296 V310 Q316 | H296-V308 HydrophobicContact CB-CB 4.29Å; H296-V308 PolarHBondContact N-O 2.84Å; H296-V308 PolarHBondContact O-N 3.35Å; V308-V310 HydrophobicContact CG1-CG2 4.46Å; V308-Q316 HydrophobicContact CG1-CB 3.93Å; V308-Q316 HydrophobicContact CG1-CG 4.31Å |
| 309 | F | 77.6 | Confident | 67.9 | Low | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 137.2 | 170.8 | -65 | -97 | 0 | 0 | 0 | 108.5 | L257 L289 V292 I295 V307 Y317 L320 M329 | L257-F309 HydrophobicContact CD2-CD2 4.22Å; L257-F309 HydrophobicContact CD2-CE1 4.04Å; L257-F309 HydrophobicContact CD2-CE2 3.51Å; L257-F309 HydrophobicContact CD2-CZ 3.42Å; L257-F309 VanDerWaalsContact CD2-CZ 3.42Å; L289-F309 HydrophobicContact CD2-CD1 4.23Å; L289-F309 HydrophobicContact CD2-CE1 4Å; V292-F309 HydrophobicContact CG1-CB 4.36Å; V292-F309 HydrophobicContact CG1-CD1 3.99Å; V292-F309 HydrophobicContact CG2-CB 4.33Å; V292-F309 HydrophobicContact CG2-CD1 4.19Å; I295-F309 HydrophobicContact CD1-CD1 4.07Å; I295-F309 HydrophobicContact CD1-CE1 3.62Å; I295-F309 HydrophobicContact CD1-CZ 4.49Å; I295-F309 HydrophobicContact CG1-CD1 3.81Å; I295-F309 HydrophobicContact CG1-CE1 3.88Å; I295-F309 HydrophobicContact CG2-CE1 4.5Å; V307-F309 HydrophobicContact CG1-CE2 4.07Å; V307-F309 HydrophobicContact CG1-CZ 4.41Å; F309-Y317 HydrophobicContact CB-CD2 3.96Å; F309-Y317 HydrophobicContact CB-CG 4.44Å; F309-Y317 WeakPolarHBondContact O-CD2 3.49Å; F309-Y317 PolarHBondContact O-N 3.36Å; F309-L320 HydrophobicContact CE2-CD1 3.79Å; F309-M329 HydrophobicContact CZ-CE 4.4Å |
| 310 | V | 72.3 | Confident | 68.5 | Low | 13 Ų | 13 | 49.1 Ų | 49.1 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.2 | 177.5 | -169.6 | 0 | 0 | 0 | 0 | 108.5 | V292 S293 C294 V308 V315 Q316 | V292-V310 CarbonylContact C-O 3.48Å; V292-V310 WeakPolarHBondContact CA-O 3.48Å; S293-V310 PolarHBondContact N-O 3.22Å; S293-V310 PolarHBondContact OG-O 3.42Å; C294-V310 PolarHBondContact N-O 2.83Å; C294-V310 PolarHBondContact O-N 3.18Å; V308-V310 HydrophobicContact CG1-CG2 4.46Å; V310-V315 WeakPolarHBondContact CA-O 3.31Å; V310-Q316 HydrophobicContact CG1-CG 4.44Å; V310-Q316 HydrophobicContact CG2-CG 4.2Å |
| 311 | G | 72.5 | Confident | 68.8 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 169.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I291 S293 D313 G314 V315 | I291-G311 CarbonylContact O-C 3.58Å; I291-G311 WeakPolarHBondContact O-CA 3.27Å; S293-G311 PolarHBondContact OG-O 3.28Å; G311-D313 WeakPolarHBondContact CA-OD1 2.85Å; G311-D313 PolarHBondContact O-N 2.85Å; G311-G314 PolarHBondContact O-N 3.15Å; G311-G314 VanDerWaalsContact O-N 3.11Å; G311-V315 PolarHBondContact N-O 3.41Å |
| 312 | C | 71.4 | Confident | 69.3 | Low | 98 Ų | 98 | 43.1 Ų | 43.1 | 66% | 0.662 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.4 | 170.9 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | I291 G314 | I291-C312 PolarHBondContact O-N 3.18Å; I291-C312 PolarHBondContact O-SG 3.18Å; C312-G314 VanDerWaalsContact C-N 3.26Å |
| 313 | D | 72.9 | Confident | 69.8 | Low | 106 Ų | 106 | 43.6 Ų | 43.6 | 57% | 0.567 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.8 | 170.1 | 60.5 | -4.5 | 0 | 0 | 0 | 113.3 | G311 V315 | G311-D313 WeakPolarHBondContact CA-OD1 2.85Å; G311-D313 PolarHBondContact O-N 2.85Å; D313-V315 VanDerWaalsContact C-N 3.29Å; D313-V315 HydrophobicContact CB-CG2 4.41Å; D313-V315 VanDerWaalsContact CG-CG2 3.49Å; D313-V315 WeakPolarHBondContact OD1-CB 3.47Å; D313-V315 PolarHBondContact OD1-N 3.17Å; D313-V315 WeakPolarHBondContact OD2-CG2 3.37Å |
| 314 | G | 67 | Low | 69.7 | Low | 48 Ų | 48 | 44.8 Ų | 44.8 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | trans | 80.9 | 2.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G311 C312 Q316 | G311-G314 PolarHBondContact O-N 3.15Å; G311-G314 VanDerWaalsContact O-N 3.11Å; C312-G314 VanDerWaalsContact C-N 3.26Å; G314-Q316 PolarHBondContact O-N 2.91Å | ||
| 315 | V | 73.8 | Confident | 69.1 | Low | 76 Ų | 76 | 44.8 Ų | 44.8 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 130 | 176.2 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | V310 G311 D313 | V310-V315 WeakPolarHBondContact CA-O 3.31Å; G311-V315 PolarHBondContact N-O 3.41Å; D313-V315 VanDerWaalsContact C-N 3.29Å; D313-V315 HydrophobicContact CB-CG2 4.41Å; D313-V315 VanDerWaalsContact CG-CG2 3.49Å; D313-V315 WeakPolarHBondContact OD1-CB 3.47Å; D313-V315 PolarHBondContact OD1-N 3.17Å; D313-V315 WeakPolarHBondContact OD2-CG2 3.37Å |
| 316 | Q | 75.9 | Confident | 68.3 | Low | 132 Ų | 132 | 47 Ų | 47 | 62% | 0.617 | 27% | 0.269 | S | S | * | . | B | Isolated β-bridge | trans | -90.9 | 122.2 | 175.9 | -62.6 | -174.8 | 27.4 | 0 | 0 | 109.4 | V308 V310 G314 | V308-Q316 HydrophobicContact CG1-CB 3.93Å; V308-Q316 HydrophobicContact CG1-CG 4.31Å; V310-Q316 HydrophobicContact CG1-CG 4.44Å; V310-Q316 HydrophobicContact CG2-CG 4.2Å; G314-Q316 PolarHBondContact O-N 2.91Å |
| 317 | Y | 77.9 | Confident | 67.1 | Low | 44 Ų | 44 | 51.9 Ų | 51.9 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 158.3 | 173.6 | -66.6 | -84.3 | 0 | 0 | 0 | 110.9 | V287 I291 F309 S319 | V287-Y317 HydrophobicContact CB-CD1 4.23Å; V287-Y317 HydrophobicContact CB-CE1 4Å; V287-Y317 HydrophobicContact CB-CE2 4.45Å; V287-Y317 HydrophobicContact CG2-CD1 4.23Å; V287-Y317 HydrophobicContact CG2-CD2 3.98Å; V287-Y317 HydrophobicContact CG2-CE1 3.75Å; V287-Y317 HydrophobicContact CG2-CE2 3.47Å; V287-Y317 VanDerWaalsContact CG2-CE2 3.47Å; V287-Y317 HydrophobicContact CG2-CG 4.34Å; I291-Y317 VanDerWaalsContact CD1-OH 3.29Å; I291-Y317 WeakPolarHBondContact CD1-OH 3.13Å; F309-Y317 HydrophobicContact CB-CD2 3.96Å; F309-Y317 HydrophobicContact CB-CG 4.44Å; F309-Y317 WeakPolarHBondContact O-CD2 3.49Å; F309-Y317 PolarHBondContact O-N 3.36Å; Y317-S319 PolarHBondContact O-N 3.37Å |
| 318 | P | 77 | Confident | 66 | Low | 49 Ų | 49 | 52.1 Ų | 52.1 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 135.3 | -178 | -26.8 | 34.8 | 0 | 0 | 0 | 113.1 | V232 F285 L320 | V232-P318 HydrophobicContact CG1-CB 3.41Å; V232-P318 VanDerWaalsContact CG1-CB 3.41Å; F285-P318 HydrophobicContact CD1-CB 4.13Å; F285-P318 HydrophobicContact CD1-CG 3.78Å; F285-P318 HydrophobicContact CE1-CB 3.99Å; F285-P318 HydrophobicContact CE1-CG 4.13Å; F285-P318 HydrophobicContact CG-CG 4.31Å; P318-L320 PolarHBondContact O-N 2.96Å |
| 319 | S | 74.6 | Confident | 64.8 | Low | 28 Ų | 28 | 52.4 Ų | 52.4 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 120.2 | -175.7 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | V232 C233 A306 V307 Y317 | V232-S319 WeakPolarHBondContact CA-O 3.19Å; C233-S319 PolarHBondContact N-O 2.96Å; A306-S319 WeakPolarHBondContact CB-OG 3.49Å; V307-S319 WeakPolarHBondContact O-CA 3.46Å; Y317-S319 PolarHBondContact O-N 3.37Å |
| 320 | L | 74.6 | Confident | 63.5 | Low | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.9 | 174.4 | -62 | 169.5 | 0 | 0 | 0 | 110 | I230 A231 V232 L245 W259 F285 A306 V307 F309 P318 | I230-L320 HydrophobicContact CG2-CB 4.14Å; I230-L320 HydrophobicContact CG2-CD2 3.65Å; I230-L320 HydrophobicContact CG2-CG 4.39Å; A231-L320 CarbonylContact O-C 3.56Å; A231-L320 WeakPolarHBondContact O-CA 3.32Å; V232-L320 HydrophobicContact CG2-CD2 3.49Å; V232-L320 VanDerWaalsContact CG2-CD2 3.49Å; L245-L320 HydrophobicContact CD1-CD1 4.05Å; L245-L320 HydrophobicContact CD1-CD2 4.21Å; L245-L320 HydrophobicContact CD2-CD1 4.05Å; W259-L320 HydrophobicContact CG-CD2 4.2Å; F285-L320 HydrophobicContact CE1-CD2 4.38Å; F285-L320 HydrophobicContact CZ-CD2 4.07Å; F285-L320 HydrophobicContact CZ-CG 4.47Å; A306-L320 CarbonylContact C-O 3.55Å; A306-L320 VanDerWaalsContact CA-O 3.27Å; A306-L320 WeakPolarHBondContact CA-O 3.49Å; V307-L320 HydrophobicContact CB-CB 4.44Å; V307-L320 PolarHBondContact N-O 3.32Å; V307-L320 PolarHBondContact O-N 2.84Å; F309-L320 HydrophobicContact CE2-CD1 3.79Å; P318-L320 PolarHBondContact O-N 2.96Å |
| 321 | V | 67.9 | Low | 62.5 | Low | 22 Ų | 22 | 59.5 Ų | 59.5 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.6 | 176.8 | -172 | 0 | 0 | 0 | 0 | 109.6 | A231 C233 A306 | A231-V321 WeakPolarHBondContact CA-O 3.48Å; A231-V321 HydrophobicContact CB-CB 4.38Å; A231-V321 VanDerWaalsContact CB-O 3.22Å; A231-V321 WeakPolarHBondContact CB-O 3.45Å; A231-V321 PolarHBondContact N-O 3.16Å; A231-V321 PolarHBondContact O-N 3.08Å; C233-V321 WeakPolarHBondContact SG-CG2 3.47Å; A306-V321 HydrophobicContact CB-CG2 4.03Å |
| 322 | S | 62 | Low | 61.5 | Low | 14 Ų | 14 | 59.6 Ų | 59.6 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 142.1 | 167.8 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | V305 Q324 C325 | V305-S322 PolarHBondContact N-O 3.43Å; V305-S322 PolarHBondContact O-N 2.82Å; S322-Q324 PolarHBondContact O-N 3.07Å; S322-Q324 VanDerWaalsContact O-N 3.14Å; S322-Q324 PolarHBondContact OG-N 3.23Å; S322-C325 WeakPolarHBondContact CB-SG 3.19Å; S322-C325 PolarHBondContact O-N 3.01Å |
| 323 | N | 56.2 | Low | 60.5 | Low | 134 Ų | 134 | 57.5 Ų | 57.5 | 72% | 0.717 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -5.2 | 169.8 | -69.9 | -21.9 | 0 | 0 | 0 | 112.8 | ||
| 324 | Q | 52 | Low | 59.4 | Low | 133 Ų | 133 | 58.3 Ų | 58.3 | 62% | 0.621 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.8 | 17.9 | 179.2 | -70.8 | 178.5 | -13.1 | 0 | 0 | 113.3 | S322 I326 I327 | S322-Q324 PolarHBondContact O-N 3.07Å; S322-Q324 VanDerWaalsContact O-N 3.14Å; S322-Q324 PolarHBondContact OG-N 3.23Å; Q324-I326 VanDerWaalsContact C-N 3.31Å; Q324-I326 PolarHBondContact O-N 2.83Å; Q324-I326 VanDerWaalsContact O-N 3.16Å; Q324-I327 PolarHBondContact O-N 3.47Å |
| 325 | C | 46.1 | Very low | 58.6 | Low | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -26.7 | -164.5 | -125.1 | 0 | 0 | 0 | 0 | 115.1 | V305 S322 I327 S328 M329 | V305-C325 HydrophobicContact CB-CB 4Å; V305-C325 HydrophobicContact CG1-CB 4.5Å; S322-C325 WeakPolarHBondContact CB-SG 3.19Å; S322-C325 PolarHBondContact O-N 3.01Å; C325-I327 VanDerWaalsContact C-N 3.31Å; C325-I327 PolarHBondContact O-N 3.43Å; C325-S328 PolarHBondContact O-N 2.72Å; C325-M329 WeakPolarHBondContact O-CB 3.35Å; C325-M329 WeakPolarHBondContact O-CG 3.37Å; C325-M329 PolarHBondContact O-N 3.03Å |
| 326 | I | 45.6 | Very low | 57.4 | Low | 66 Ų | 66 | 55.4 Ų | 55.4 | 34% | 0.338 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | -179.6 | -62.1 | 173 | 0 | 0 | 0 | 110.9 | V305 Q324 L330 | V305-I326 HydrophobicContact CG2-CD1 3.95Å; V305-I326 HydrophobicContact CG2-CG1 3.7Å; Q324-I326 VanDerWaalsContact C-N 3.31Å; Q324-I326 PolarHBondContact O-N 2.83Å; Q324-I326 VanDerWaalsContact O-N 3.16Å; I326-L330 HydrophobicContact CG2-CD1 4.03Å; I326-L330 WeakPolarHBondContact O-CB 3.34Å; I326-L330 WeakPolarHBondContact O-CG 3.33Å; I326-L330 PolarHBondContact O-N 2.72Å |
| 327 | I | 44.8 | Very low | 56 | Low | 108 Ų | 108 | 51.7 Ų | 51.7 | 55% | 0.554 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -72 | -38.9 | -179.3 | -61.6 | 173.2 | 0 | 0 | 0 | 111.2 | Q324 C325 L330 K331 | Q324-I327 PolarHBondContact O-N 3.47Å; C325-I327 VanDerWaalsContact C-N 3.31Å; C325-I327 PolarHBondContact O-N 3.43Å; I327-L330 PolarHBondContact O-N 3.23Å; I327-K331 PolarHBondContact O-N 2.98Å |
| 328 | S | 49.4 | Very low | 54.3 | Low | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 177.3 | -83.8 | 0 | 0 | 0 | 0 | 112.4 | Y225 K227 C325 K331 I332 | Y225-S328 PolarHBondContact OH-OG 3.38Å; Y225-S328 VanDerWaalsContact OH-OG 3.04Å; K227-S328 WeakPolarHBondContact CD-OG 3.43Å; K227-S328 WeakPolarHBondContact CE-OG 3.43Å; K227-S328 PolarHBondContact NZ-OG 3.26Å; C325-S328 PolarHBondContact O-N 2.72Å; S328-K331 WeakPolarHBondContact O-CB 3.46Å; S328-K331 PolarHBondContact O-N 2.81Å; S328-I332 PolarHBondContact O-N 3.24Å |
| 329 | M | 49.1 | Very low | 52.5 | Low | 17 Ų | 17 | 54.6 Ų | 54.6 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 175.4 | -76.1 | -54.1 | -52.1 | 0 | 0 | 112.5 | V307 F309 C325 K331 I332 N333 | V307-M329 HydrophobicContact CG1-CE 4.28Å; V307-M329 HydrophobicContact CG1-SD 4.13Å; V307-M329 HydrophobicContact CG2-CG 3.79Å; V307-M329 HydrophobicContact CG2-SD 4.19Å; F309-M329 HydrophobicContact CZ-CE 4.4Å; C325-M329 WeakPolarHBondContact O-CB 3.35Å; C325-M329 WeakPolarHBondContact O-CG 3.37Å; C325-M329 PolarHBondContact O-N 3.03Å; M329-K331 VanDerWaalsContact C-N 3.26Å; M329-K331 PolarHBondContact O-N 3.33Å; M329-I332 HydrophobicContact CE-CG2 4.32Å; M329-I332 PolarHBondContact O-N 3.48Å; M329-I332 HydrophobicContact SD-CD1 4.27Å; M329-N333 VanDerWaalsContact O-CB 3.25Å; M329-N333 WeakPolarHBondContact O-CB 3.36Å; M329-N333 PolarHBondContact O-N 3.15Å |
| 330 | L | 50.1 | Low | 50.8 | Low | 45 Ų | 45 | 55.1 Ų | 55.1 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 171.6 | -73.6 | 170.3 | 0 | 0 | 0 | 111.4 | I326 I327 R334 | I326-L330 HydrophobicContact CG2-CD1 4.03Å; I326-L330 WeakPolarHBondContact O-CB 3.34Å; I326-L330 WeakPolarHBondContact O-CG 3.33Å; I326-L330 PolarHBondContact O-N 2.72Å; I327-L330 PolarHBondContact O-N 3.23Å; L330-R334 WeakPolarHBondContact O-CB 3.42Å; L330-R334 PolarHBondContact O-N 3.3Å |
| 331 | K | 51.8 | Low | 49 | Very low | 117 Ų | 117 | 64.1 Ų | 64.1 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 172.2 | -77.1 | -177.5 | 178.1 | -175.1 | 0 | 112.5 | Y225 I327 S328 M329 R334 C335 | Y225-K331 HydrophobicContact CE2-CB 4.03Å; Y225-K331 HydrophobicContact CE2-CD 4.22Å; I327-K331 PolarHBondContact O-N 2.98Å; S328-K331 WeakPolarHBondContact O-CB 3.46Å; S328-K331 PolarHBondContact O-N 2.81Å; M329-K331 VanDerWaalsContact C-N 3.26Å; M329-K331 PolarHBondContact O-N 3.33Å; K331-R334 CarbonylContact O-C 3.52Å; K331-R334 WeakPolarHBondContact O-CA 3.4Å; K331-R334 VanDerWaalsContact O-CB 3.24Å; K331-R334 WeakPolarHBondContact O-CB 3.41Å; K331-R334 PolarHBondContact O-N 3.25Å; K331-R334 VanDerWaalsContact O-N 3.12Å; K331-C335 PolarHBondContact O-N 2.63Å; K331-C335 PolarHBondContact O-SG 2.96Å |
| 332 | I | 51.2 | Low | 47.5 | Very low | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 175.4 | -74.3 | 172.1 | 0 | 0 | 0 | 110.5 | Y225 L245 L247 S328 M329 R334 C335 I336 | Y225-I332 HydrophobicContact CD1-CD1 3.92Å; Y225-I332 HydrophobicContact CD1-CG1 3.59Å; Y225-I332 HydrophobicContact CE1-CD1 3.76Å; Y225-I332 HydrophobicContact CE1-CG1 3.7Å; Y225-I332 HydrophobicContact CG-CG1 4.11Å; L245-I332 HydrophobicContact CD2-CD1 3.67Å; L247-I332 HydrophobicContact CD2-CG2 4.48Å; S328-I332 PolarHBondContact O-N 3.24Å; M329-I332 HydrophobicContact CE-CG2 4.32Å; M329-I332 PolarHBondContact O-N 3.48Å; M329-I332 HydrophobicContact SD-CD1 4.27Å; I332-R334 PolarHBondContact O-N 2.83Å; I332-C335 PolarHBondContact O-N 3.37Å; I332-C335 VanDerWaalsContact O-N 3.12Å; I332-I336 HydrophobicContact CG2-CD1 3.52Å; I332-I336 HydrophobicContact CG2-CG1 4.21Å; I332-I336 WeakPolarHBondContact O-CB 3.07Å; I332-I336 VanDerWaalsContact O-CG1 3.25Å; I332-I336 WeakPolarHBondContact O-CG1 3.37Å; I332-I336 PolarHBondContact O-N 3.37Å |
| 333 | N | 51.3 | Low | 46.3 | Very low | 54 Ų | 54 | 73.9 Ų | 73.9 | 29% | 0.289 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -32.6 | 173.4 | -85.1 | -23.6 | 0 | 0 | 0 | 111.8 | M329 S337 | M329-N333 VanDerWaalsContact O-CB 3.25Å; M329-N333 WeakPolarHBondContact O-CB 3.36Å; M329-N333 PolarHBondContact O-N 3.15Å; N333-S337 WeakPolarHBondContact O-CB 3.38Å; N333-S337 PolarHBondContact O-N 2.85Å; N333-S337 PolarHBondContact O-OG 3.39Å |
| 334 | R | 50.2 | Low | 45.2 | Very low | 124 Ų | 124 | 70.5 Ų | 70.5 | 47% | 0.468 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62 | -52.9 | 169.6 | -120.6 | -179.1 | 178.9 | 168.2 | -0 | 110.8 | L330 K331 I332 I336 S337 C338 H408 | L330-R334 WeakPolarHBondContact O-CB 3.42Å; L330-R334 PolarHBondContact O-N 3.3Å; K331-R334 CarbonylContact O-C 3.52Å; K331-R334 WeakPolarHBondContact O-CA 3.4Å; K331-R334 VanDerWaalsContact O-CB 3.24Å; K331-R334 WeakPolarHBondContact O-CB 3.41Å; K331-R334 PolarHBondContact O-N 3.25Å; K331-R334 VanDerWaalsContact O-N 3.12Å; I332-R334 PolarHBondContact O-N 2.83Å; R334-I336 VanDerWaalsContact C-N 3.34Å; R334-I336 PolarHBondContact O-N 2.82Å; R334-S337 PolarHBondContact O-N 3.42Å; R334-S337 VanDerWaalsContact O-N 3.13Å; R334-S337 PolarHBondContact O-OG 3.03Å; R334-C338 WeakPolarHBondContact O-CB 3.29Å; R334-C338 PolarHBondContact O-N 3.13Å; R334-C338 PolarHBondContact O-SG 3.45Å; R334-H408 PolarHBondContact NH2-NE2 3.06Å |
| 335 | C | 49.2 | Very low | 44.2 | Very low | 25 Ų | 25 | 70.1 Ų | 70.1 | 17% | 0.169 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 177.5 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | L247 K331 I332 S337 D339 | L247-C335 HydrophobicContact CD2-CB 3.7Å; K331-C335 PolarHBondContact O-N 2.63Å; K331-C335 PolarHBondContact O-SG 2.96Å; I332-C335 PolarHBondContact O-N 3.37Å; I332-C335 VanDerWaalsContact O-N 3.12Å; C335-S337 PolarHBondContact O-N 3.44Å; C335-D339 PolarHBondContact O-N 2.83Å |
| 336 | I | 48.7 | Very low | 43.4 | Very low | 37 Ų | 37 | 74.1 Ų | 74.1 | 19% | 0.19 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 175.3 | -63.2 | 164.3 | 0 | 0 | 0 | 110.3 | L247 L255 L289 I332 R334 A340 | L247-I336 HydrophobicContact CD2-CG1 4.16Å; L255-I336 HydrophobicContact CD1-CB 4Å; L255-I336 HydrophobicContact CD1-CG1 3.83Å; L255-I336 HydrophobicContact CD1-CG2 3.97Å; L289-I336 HydrophobicContact CD1-CD1 3.52Å; L289-I336 HydrophobicContact CD1-CG1 3.7Å; I332-I336 HydrophobicContact CG2-CD1 3.52Å; I332-I336 HydrophobicContact CG2-CG1 4.21Å; I332-I336 WeakPolarHBondContact O-CB 3.07Å; I332-I336 VanDerWaalsContact O-CG1 3.25Å; I332-I336 WeakPolarHBondContact O-CG1 3.37Å; I332-I336 PolarHBondContact O-N 3.37Å; R334-I336 VanDerWaalsContact C-N 3.34Å; R334-I336 PolarHBondContact O-N 2.82Å; I336-A340 WeakPolarHBondContact O-CA 3.07Å; I336-A340 WeakPolarHBondContact O-CB 3.02Å; I336-A340 PolarHBondContact O-N 2.76Å |
| 337 | S | 45.5 | Very low | 42.8 | Very low | 54 Ų | 54 | 75.6 Ų | 75.6 | 38% | 0.378 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -79 | -27.8 | -176.1 | 70.6 | 0 | 0 | 0 | 0 | 115.2 | N333 R334 C335 Q409 | N333-S337 WeakPolarHBondContact O-CB 3.38Å; N333-S337 PolarHBondContact O-N 2.85Å; N333-S337 PolarHBondContact O-OG 3.39Å; R334-S337 PolarHBondContact O-N 3.42Å; R334-S337 VanDerWaalsContact O-N 3.13Å; R334-S337 PolarHBondContact O-OG 3.03Å; C335-S337 PolarHBondContact O-N 3.44Å; S337-Q409 PolarHBondContact OG-NE2 3.28Å |
| 338 | C | 42.9 | Very low | 42.1 | Very low | 84 Ų | 84 | 79.8 Ų | 79.8 | 57% | 0.568 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -90.1 | -37.2 | -175.4 | -66.9 | 0 | 0 | 0 | 0 | 111.4 | R334 | R334-C338 WeakPolarHBondContact O-CB 3.29Å; R334-C338 PolarHBondContact O-N 3.13Å; R334-C338 PolarHBondContact O-SG 3.45Å |
| 339 | D | 40.2 | Very low | 41.1 | Very low | 71 Ų | 71 | 81.9 Ų | 81.9 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -102.8 | -12.5 | -179.8 | -67.9 | -35 | 0 | 0 | 0 | 113.7 | L224 Q249 C335 R341 | L224-D339 HydrophobicContact CD1-CB 4.22Å; Q249-D339 PolarHBondContact NE2-O 2.96Å; C335-D339 PolarHBondContact O-N 2.83Å; D339-R341 PolarHBondContact O-N 2.93Å |
| 340 | A | 37.3 | Very low | 40.1 | Very low | 38 Ų | 38 | 87.9 Ų | 87.9 | 31% | 0.314 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -68.3 | 96.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | I336 | I336-A340 WeakPolarHBondContact O-CA 3.07Å; I336-A340 WeakPolarHBondContact O-CB 3.02Å; I336-A340 PolarHBondContact O-N 2.76Å |
| 341 | R | 38 | Very low | 38.9 | Very low | 192 Ų | 192 | 90.8 Ų | 90.8 | 73% | 0.725 | 50% | 0.503 | S | S | * | . | trans | -45.8 | 160.6 | -177.7 | -69.6 | -179.7 | 176.8 | -177.4 | -0.4 | 113 | D339 N343 | D339-R341 PolarHBondContact O-N 2.93Å; R341-N343 PolarHBondContact O-N 3.44Å | ||
| 342 | P | 36.3 | Very low | 37.6 | Very low | 92 Ų | 92 | 93.2 Ų | 93.2 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -60.4 | -20.6 | -170.8 | -22.1 | 32.7 | 0 | 0 | 0 | 116 | R413 | P342-R413 PolarHBondContact O-NH2 3.4Š|
| 343 | N | 36.4 | Very low | 36.4 | Very low | 148 Ų | 148 | 98.6 Ų | 98.6 | 79% | 0.791 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -121.4 | 100.1 | -177.1 | -67.4 | -10.3 | 0 | 0 | 0 | 109.8 | R341 | R341-N343 PolarHBondContact O-N 3.44Š|
| 344 | G | 33.5 | Very low | 35.2 | Very low | 63 Ų | 63 | 102.7 Ų | 102.7 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | trans | 174.5 | 98.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V346 | G344-V346 PolarHBondContact O-N 3.34Š| ||
| 345 | S | 29.7 | Very low | 34.1 | Very low | 126 Ų | 126 | 104.2 Ų | 104.2 | 88% | 0.881 | 58% | 0.577 | S | S | * | * | trans | -66.6 | 82.6 | -177.5 | -48.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 346 | V | 30.7 | Very low | 32.9 | Very low | 90 Ų | 90 | 106.8 Ų | 106.8 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | trans | -75.9 | 127.8 | 159.6 | -173.1 | 0 | 0 | 0 | 0 | 106.9 | G344 K348 | G344-V346 PolarHBondContact O-N 3.34Å; V346-K348 PolarHBondContact O-N 2.97Å | ||
| 347 | P | 31.6 | Very low | 31.9 | Very low | 97 Ų | 97 | 109.8 Ų | 109.8 | 63% | 0.63 | 62% | 0.617 | S | S | * | * | trans | -52.5 | 128.5 | 173.6 | -20.1 | 30.5 | 0 | 0 | 0 | 108.1 | A349 | P347-A349 VanDerWaalsContact C-N 3.35Å; P347-A349 PolarHBondContact O-N 3.41Å | ||
| 348 | K | 30.4 | Very low | 31 | Very low | 196 Ų | 196 | 113.7 Ų | 113.7 | 85% | 0.852 | 63% | 0.632 | S | S | * | * | trans | -45.3 | 99.2 | 177.3 | -69.9 | 173.1 | 178.1 | 173.2 | 0 | 108.7 | V346 Q350 | V346-K348 PolarHBondContact O-N 2.97Å; K348-Q350 PolarHBondContact O-N 3.24Å | ||
| 349 | A | 28.4 | Very low | 30.2 | Very low | 47 Ų | 47 | 116.6 Ų | 116.6 | 39% | 0.388 | 64% | 0.641 | S | S | . | * | trans | -63.4 | 93.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | P347 L351 | P347-A349 VanDerWaalsContact C-N 3.35Å; P347-A349 PolarHBondContact O-N 3.41Å; A349-L351 PolarHBondContact O-N 3.24Å | ||
| 350 | Q | 28 | Very low | 29.6 | Very low | 144 Ų | 144 | 120.8 Ų | 120.8 | 67% | 0.673 | 66% | 0.659 | S | S | * | * | trans | -66 | 103.8 | 179.4 | -99.3 | 169.8 | -24.6 | 0 | 0 | 106.6 | K348 R352 | K348-Q350 PolarHBondContact O-N 3.24Å; Q350-R352 VanDerWaalsContact C-N 3.27Å; Q350-R352 PolarHBondContact O-N 3.05Å | ||
| 351 | L | 26.4 | Very low | 29 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 56% | 0.555 | 69% | 0.685 | S | S | * | * | trans | -62.6 | 91.4 | 170.3 | -138.6 | 100.1 | 0 | 0 | 0 | 107.5 | A349 T353 | A349-L351 PolarHBondContact O-N 3.24Å; L351-T353 PolarHBondContact O-N 3.34Å | ||
| 352 | R | 24.2 | Very low | 28.4 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 63% | 0.634 | 68% | 0.684 | S | S | * | * | trans | -88.4 | 96.6 | 178.3 | -108.9 | -177.6 | 174.7 | -179.7 | -0.4 | 108.8 | Q350 Q354 | Q350-R352 VanDerWaalsContact C-N 3.27Å; Q350-R352 PolarHBondContact O-N 3.05Å; R352-Q354 HydrophobicContact CB-CG 4.39Å; R352-Q354 HydrophobicContact CG-CG 4.25Å; R352-Q354 PolarHBondContact O-N 2.99Å | ||
| 353 | T | 25.4 | Very low | 28 | Very low | 114 Ų | 114 | 127 Ų | 127 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | trans | -78.1 | 73.3 | 164.7 | 57.9 | 0 | 0 | 0 | 0 | 108.8 | L351 | L351-T353 PolarHBondContact O-N 3.34Š| ||
| 354 | Q | 25.9 | Very low | 27.5 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 65% | 0.654 | 70% | 0.695 | S | S | * | * | trans | -89.3 | 112.7 | 176 | -79 | -87 | -25.2 | 0 | 0 | 109.2 | R352 S356 | R352-Q354 HydrophobicContact CB-CG 4.39Å; R352-Q354 HydrophobicContact CG-CG 4.25Å; R352-Q354 PolarHBondContact O-N 2.99Å; Q354-S356 PolarHBondContact O-N 2.91Å | ||
| 355 | N | 27.2 | Very low | 27.2 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | -58.6 | 103.7 | 164.1 | -70.1 | -28.7 | 0 | 0 | 0 | 107.7 | ||||
| 356 | S | 24.2 | Very low | 27 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 55% | 0.552 | 70% | 0.697 | S | S | * | * | trans | -60 | 133.3 | -174.6 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | Q354 I358 | Q354-S356 PolarHBondContact O-N 2.91Å; S356-I358 PolarHBondContact O-N 2.85Å | ||
| 357 | P | 27 | Very low | 26.7 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -76.3 | 12.5 | -175.4 | 29.6 | -33.3 | 0 | 0 | 0 | 113.9 | L359 Q360 | P357-L359 PolarHBondContact O-N 3.39Å; P357-Q360 PolarHBondContact O-N 2.83Å; P357-Q360 VanDerWaalsContact O-N 3.15Å |
| 358 | I | 26.5 | Very low | 26.5 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -64.8 | -23.2 | 178 | -62.7 | 177.1 | 0 | 0 | 0 | 111 | S356 | S356-I358 PolarHBondContact O-N 2.85Š|
| 359 | L | 26.5 | Very low | 26.3 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -81.6 | -11.8 | 176.2 | -74.7 | 170.2 | 0 | 0 | 0 | 115.2 | P357 | P357-L359 PolarHBondContact O-N 3.39Š|
| 360 | Q | 27.6 | Very low | 26.1 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -83.2 | -15.5 | 175.7 | -85.6 | -174 | -4.9 | 0 | 0 | 113.7 | P357 | P357-Q360 PolarHBondContact O-N 2.83Å; P357-Q360 VanDerWaalsContact O-N 3.15Å |
| 361 | R | 25.2 | Very low | 26.1 | Very low | 228 Ų | 228 | 141.5 Ų | 141.5 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -83.8 | -16.2 | -178.8 | -152.3 | 170.4 | -176.3 | 164.2 | 0.4 | 113.9 | ||
| 362 | L | 26.4 | Very low | 25.9 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -91.9 | -12.2 | 175.6 | -86.3 | 151.1 | 0 | 0 | 0 | 113.9 | R364 | L362-R364 VanDerWaalsContact C-N 3.29Å; L362-R364 PolarHBondContact O-N 2.82Å |
| 363 | A | 27.6 | Very low | 26.1 | Very low | 86 Ų | 86 | 141.1 Ų | 141.1 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -84 | 2.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 364 | R | 24.8 | Very low | 25.8 | Very low | 237 Ų | 237 | 146.3 Ų | 146.3 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | trans | -121.4 | 56 | 178.1 | -72.9 | -173.4 | 177.6 | 178.7 | 0.6 | 112 | L362 | L362-R364 VanDerWaalsContact C-N 3.29Å; L362-R364 PolarHBondContact O-N 2.82Å | ||
| 365 | S | 27.1 | Very low | 25.8 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -122.1 | 112 | 156.2 | 59.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 366 | K | 26.9 | Very low | 25.6 | Very low | 202 Ų | 202 | 146.9 Ų | 146.9 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | trans | -42.8 | 139.3 | 174.4 | -87.6 | 170.4 | 165.9 | 176.3 | 0 | 111.6 | P368 | K366-P368 VanDerWaalsContact O-CD 3.3Å; K366-P368 WeakPolarHBondContact O-CD 3.42Å | ||
| 367 | A | 23.6 | Very low | 25.7 | Very low | 102 Ų | 102 | 151 Ų | 151 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -65.6 | 132 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 368 | P | 28.2 | Very low | 25.6 | Very low | 109 Ų | 109 | 151.8 Ų | 151.8 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -119.5 | 120.8 | 147.1 | 22.7 | -2.9 | 0 | 0 | 0 | 109.7 | K366 | K366-P368 VanDerWaalsContact O-CD 3.3Å; K366-P368 WeakPolarHBondContact O-CD 3.42Å | ||
| 369 | T | 25.2 | Very low | 25.3 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | 22.6 | 121.5 | 134.3 | 51.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 370 | D | 24.2 | Very low | 25.4 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 37.9 | 110 | 136.6 | -62.2 | -24.2 | 0 | 0 | 0 | 117.8 | ||||
| 371 | E | 27.3 | Very low | 25.3 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | -163.6 | 139.4 | 125.3 | -109.3 | 173.3 | -158 | 0 | 0 | 111.9 | |||||
| 372 | T | 23.4 | Very low | 25.2 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | -81.9 | 116.2 | -172.9 | -49.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 373 | T | 27.5 | Very low | 25.2 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -145 | 111.5 | 160.4 | -4.7 | 0 | 0 | 0 | 0 | 111.7 | L375 | T373-L375 PolarHBondContact O-N 2.93Š| ||
| 374 | R | 20.2 | Very low | 25.2 | Very low | 223 Ų | 223 | 148.7 Ų | 148.7 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -56.5 | 124.7 | 173 | -64.5 | 169.7 | 176.6 | -165.2 | -2.1 | 110.4 | ||||
| 375 | L | 25.2 | Very low | 25.4 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -128.2 | 97.3 | 151.4 | -80.5 | 169.1 | 0 | 0 | 0 | 108.2 | T373 | T373-L375 PolarHBondContact O-N 2.93Š| ||
| 376 | T | 23 | Very low | 25.3 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | -62.5 | 122.7 | 170.5 | 34.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 377 | L | 26.5 | Very low | 25.6 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -111.2 | 135.9 | 159.1 | -142.9 | 79.5 | 0 | 0 | 0 | 107.5 | ||||
| 378 | P | 24.5 | Very low | 26 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | trans | -81.6 | 145.6 | -162.8 | 31.8 | -30 | 0 | 0 | 0 | 112.6 | ||||
| 379 | S | 21.2 | Very low | 26.5 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -70 | 121.8 | 172.1 | 38.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 380 | S | 27.3 | Very low | 27.4 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -135.7 | 104.5 | 160.2 | -64.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 381 | T | 25.7 | Very low | 28.1 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | trans | 46.5 | 106.1 | 139.3 | 53.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 382 | E | 24.6 | Very low | 28.9 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | 46.6 | 93.8 | 125.4 | -65.5 | -176.2 | 155.6 | 0 | 0 | 119.2 | |||||
| 383 | L | 25.4 | Very low | 29.9 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -135.3 | 96.8 | 136.4 | -76.5 | 176.1 | 0 | 0 | 0 | 108.3 | A385 | L383-A385 VanDerWaalsContact C-N 3.32Å; L383-A385 PolarHBondContact O-N 3.47Å | ||
| 384 | V | 26.9 | Very low | 30.9 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | trans | -67.4 | 88.1 | 174.6 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | K386 | V384-K386 PolarHBondContact O-N 3.04Š| ||
| 385 | A | 28.8 | Very low | 32.3 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -79.2 | 104.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | L383 | L383-A385 VanDerWaalsContact C-N 3.32Å; L383-A385 PolarHBondContact O-N 3.47Å | ||
| 386 | K | 26.1 | Very low | 33.5 | Very low | 187 Ų | 187 | 131.4 Ų | 131.4 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | -53.7 | 126.4 | 172.6 | -81.6 | 176.7 | 175.3 | 173.1 | 0 | 109.4 | V384 N388 | V384-K386 PolarHBondContact O-N 3.04Å; K386-N388 PolarHBondContact O-N 2.94Å | ||
| 387 | P | 32.8 | Very low | 35.2 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | trans | -69 | 119.6 | 176.6 | 27.8 | -31 | 0 | 0 | 0 | 108.3 | K389 | P387-K389 PolarHBondContact O-N 3.35Š| ||
| 388 | N | 32.9 | Very low | 36.9 | Very low | 156 Ų | 156 | 123.3 Ų | 123.3 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | trans | -63.6 | 109.4 | 172.2 | -138.2 | 6.4 | 0 | 0 | 0 | 107.1 | K386 D390 | K386-N388 PolarHBondContact O-N 2.94Å; N388-D390 PolarHBondContact O-N 3.4Å; N388-D390 VanDerWaalsContact O-N 3.15Å | ||
| 389 | K | 37.8 | Very low | 38.6 | Very low | 195 Ų | 195 | 122.3 Ų | 122.3 | 85% | 0.848 | 69% | 0.694 | S | S | * | * | trans | -73.6 | 2.8 | -169.9 | -95.7 | -172.6 | 175.9 | -177.7 | 0 | 114.8 | P387 G391 | P387-K389 PolarHBondContact O-N 3.35Å; K389-G391 PolarHBondContact O-N 3.22Å | ||
| 390 | D | 43.5 | Very low | 40.8 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -95.1 | 76.3 | 177.1 | -64.3 | -30.4 | 0 | 0 | 0 | 109.8 | N388 K392 | N388-D390 PolarHBondContact O-N 3.4Å; N388-D390 VanDerWaalsContact O-N 3.15Å; D390-K392 PolarHBondContact O-N 3.35Å | ||
| 391 | G | 40.1 | Very low | 42.6 | Very low | 79 Ų | 79 | 124 Ų | 124 | 81% | 0.814 | 67% | 0.672 | S | S | * | * | trans | -66.7 | 51.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K389 D393 | K389-G391 PolarHBondContact O-N 3.22Å; G391-D393 VanDerWaalsContact C-N 3.26Å; G391-D393 PolarHBondContact O-N 3.05Å | ||
| 392 | K | 43.3 | Very low | 44 | Very low | 173 Ų | 173 | 119.8 Ų | 119.8 | 75% | 0.752 | 65% | 0.65 | S | S | * | * | trans | -78.6 | 84.7 | 179.8 | -144.8 | 176.7 | -169.8 | 177.1 | 0 | 107.4 | D390 T394 | D390-K392 PolarHBondContact O-N 3.35Å; K392-T394 VanDerWaalsContact C-N 3.3Å; K392-T394 WeakPolarHBondContact O-CG2 3.34Å; K392-T394 PolarHBondContact O-N 2.82Å | ||
| 393 | D | 44.2 | Very low | 45.9 | Very low | 85 Ų | 85 | 118.6 Ų | 118.6 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | trans | -6.7 | 69.6 | 163.7 | -135.8 | 1.7 | 0 | 0 | 0 | 115.4 | G391 S395 K396 | G391-D393 VanDerWaalsContact C-N 3.26Å; G391-D393 PolarHBondContact O-N 3.05Å; D393-S395 PolarHBondContact O-N 2.87Å; D393-K396 HydrophobicContact CB-CD 4.49Å; D393-K396 PolarHBondContact O-N 3.29Å; D393-K396 WeakPolarHBondContact OD2-CD 3.33Å; D393-K396 WeakPolarHBondContact OD2-CE 3.3Å; D393-K396 IonicContact OD2-NZ 3.23Å; D393-K396 PolarHBondContact OD2-NZ 3.15Å | ||
| 394 | T | 49.1 | Very low | 47.8 | Very low | 90 Ų | 90 | 114 Ų | 114 | 55% | 0.552 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.5 | -21.6 | -177.5 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | K392 S398 | K392-T394 VanDerWaalsContact C-N 3.3Å; K392-T394 WeakPolarHBondContact O-CG2 3.34Å; K392-T394 PolarHBondContact O-N 2.82Å; T394-S398 PolarHBondContact O-N 3.18Å; T394-S398 VanDerWaalsContact O-N 3.14Å; T394-S398 PolarHBondContact O-OG 3.36Å |
| 395 | S | 48.9 | Very low | 49.6 | Very low | 71 Ų | 71 | 108.9 Ų | 108.9 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59 | -43.6 | 170.9 | 166.2 | 0 | 0 | 0 | 0 | 112.4 | D393 D397 S398 V399 | D393-S395 PolarHBondContact O-N 2.87Å; S395-D397 PolarHBondContact O-N 3.42Å; S395-S398 PolarHBondContact O-N 2.89Å; S395-S398 PolarHBondContact O-OG 2.89Å; S395-V399 WeakPolarHBondContact O-CG2 3.34Å; S395-V399 PolarHBondContact O-N 3.36Å; S395-V399 VanDerWaalsContact O-N 3.14Å |
| 396 | K | 50.3 | Low | 51.3 | Low | 141 Ų | 141 | 109 Ų | 109 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68 | -38.8 | -178.2 | -80.3 | -178.2 | 179 | 129.4 | 0 | 112.1 | D393 R400 | D393-K396 HydrophobicContact CB-CD 4.49Å; D393-K396 PolarHBondContact O-N 3.29Å; D393-K396 WeakPolarHBondContact OD2-CD 3.33Å; D393-K396 WeakPolarHBondContact OD2-CE 3.3Å; D393-K396 IonicContact OD2-NZ 3.23Å; D393-K396 PolarHBondContact OD2-NZ 3.15Å; K396-R400 WeakPolarHBondContact O-CB 3.49Å; K396-R400 PolarHBondContact O-N 2.81Å; K396-R400 VanDerWaalsContact O-N 3.07Å |
| 397 | D | 58.5 | Low | 53.3 | Low | 94 Ų | 94 | 103.4 Ų | 103.4 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 178.7 | -70.8 | -22.6 | 0 | 0 | 0 | 111.5 | S395 R400 L401 | S395-D397 PolarHBondContact O-N 3.42Å; D397-R400 PolarHBondContact O-N 3.28Å; D397-L401 WeakPolarHBondContact O-CB 3.49Å; D397-L401 WeakPolarHBondContact O-CD1 3.43Å; D397-L401 WeakPolarHBondContact O-CG 3.47Å; D397-L401 PolarHBondContact O-N 2.9Å |
| 398 | S | 63.7 | Low | 54.8 | Low | 35 Ų | 35 | 102.3 Ų | 102.3 | 25% | 0.245 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 177.9 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | T394 S395 A402 | T394-S398 PolarHBondContact O-N 3.18Å; T394-S398 VanDerWaalsContact O-N 3.14Å; T394-S398 PolarHBondContact O-OG 3.36Å; S395-S398 PolarHBondContact O-N 2.89Å; S395-S398 PolarHBondContact O-OG 2.89Å; S398-A402 PolarHBondContact O-N 3.07Å; S398-A402 VanDerWaalsContact O-N 3.09Å |
| 399 | V | 58.7 | Low | 56.5 | Low | 95 Ų | 95 | 97.4 Ų | 97.4 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.7 | -40.8 | 174.8 | 174 | 0 | 0 | 0 | 0 | 111.2 | S395 A402 Y403 | S395-V399 WeakPolarHBondContact O-CG2 3.34Å; S395-V399 PolarHBondContact O-N 3.36Å; S395-V399 VanDerWaalsContact O-N 3.14Å; V399-A402 PolarHBondContact O-N 2.94Å; V399-Y403 PolarHBondContact O-N 3.12Å |
| 400 | R | 69.1 | Low | 58.1 | Low | 160 Ų | 160 | 93.5 Ų | 93.5 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 177.9 | -171.8 | 175.7 | -177.9 | 170.1 | 1.8 | 112.1 | K396 D397 A402 Y403 D404 | K396-R400 WeakPolarHBondContact O-CB 3.49Å; K396-R400 PolarHBondContact O-N 2.81Å; K396-R400 VanDerWaalsContact O-N 3.07Å; D397-R400 PolarHBondContact O-N 3.28Å; R400-A402 VanDerWaalsContact C-N 3.32Å; R400-A402 PolarHBondContact O-N 2.89Å; R400-Y403 PolarHBondContact O-N 2.87Å; R400-D404 PolarHBondContact O-N 3.3Å |
| 401 | L | 64.8 | Low | 59.2 | Low | 100 Ų | 100 | 89.8 Ų | 89.8 | 52% | 0.524 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 174.6 | -76.6 | 162.9 | 0 | 0 | 0 | 112.3 | D397 S405 | D397-L401 WeakPolarHBondContact O-CB 3.49Å; D397-L401 WeakPolarHBondContact O-CD1 3.43Å; D397-L401 WeakPolarHBondContact O-CG 3.47Å; D397-L401 PolarHBondContact O-N 2.9Å; L401-S405 WeakPolarHBondContact O-CB 3.45Å; L401-S405 PolarHBondContact O-N 2.84Å |
| 402 | A | 54.4 | Low | 60.5 | Low | 36 Ų | 36 | 87.8 Ų | 87.8 | 30% | 0.298 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S398 V399 R400 S405 I406 | S398-A402 PolarHBondContact O-N 3.07Å; S398-A402 VanDerWaalsContact O-N 3.09Å; V399-A402 PolarHBondContact O-N 2.94Å; R400-A402 VanDerWaalsContact C-N 3.32Å; R400-A402 PolarHBondContact O-N 2.89Å; A402-S405 PolarHBondContact O-N 3.45Å; A402-I406 VanDerWaalsContact O-CG1 3.31Å; A402-I406 WeakPolarHBondContact O-CG1 3.37Å; A402-I406 PolarHBondContact O-N 2.8Å |
| 403 | Y | 64.3 | Low | 61.7 | Low | 149 Ų | 149 | 87.2 Ų | 87.2 | 58% | 0.584 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 175.9 | 179.5 | -96.2 | 0 | 0 | 0 | 112.3 | V399 R400 S405 I406 R407 | V399-Y403 PolarHBondContact O-N 3.12Å; R400-Y403 PolarHBondContact O-N 2.87Å; Y403-S405 VanDerWaalsContact C-N 3.3Å; Y403-S405 PolarHBondContact O-N 3.28Å; Y403-I406 PolarHBondContact O-N 3.45Å; Y403-R407 VanDerWaalsContact O-CB 3.29Å; Y403-R407 WeakPolarHBondContact O-CB 3.4Å; Y403-R407 PolarHBondContact O-N 3.13Å |
| 404 | D | 65.1 | Low | 63 | Low | 77 Ų | 77 | 86.2 Ų | 86.2 | 41% | 0.412 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 179.1 | -71.3 | -24.4 | 0 | 0 | 0 | 111.7 | R400 H408 | R400-D404 PolarHBondContact O-N 3.3Å; D404-H408 WeakPolarHBondContact O-CB 3.42Å; D404-H408 PolarHBondContact O-N 3.42Å |
| 405 | S | 65.8 | Low | 64.1 | Low | 23 Ų | 23 | 85.8 Ų | 85.8 | 16% | 0.161 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 174.7 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | L401 A402 Y403 R407 H408 Q409 | L401-S405 WeakPolarHBondContact O-CB 3.45Å; L401-S405 PolarHBondContact O-N 2.84Å; A402-S405 PolarHBondContact O-N 3.45Å; Y403-S405 VanDerWaalsContact C-N 3.3Å; Y403-S405 PolarHBondContact O-N 3.28Å; S405-R407 VanDerWaalsContact C-N 3.34Å; S405-H408 PolarHBondContact O-N 3.45Å; S405-Q409 WeakPolarHBondContact O-CG 3.42Å; S405-Q409 PolarHBondContact O-N 3.28Å |
| 406 | I | 64.6 | Low | 65 | Low | 94 Ų | 94 | 89.9 Ų | 89.9 | 48% | 0.482 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 178 | -69.2 | 166.7 | 0 | 0 | 0 | 109.9 | A402 Y403 H408 Q409 I410 | A402-I406 VanDerWaalsContact O-CG1 3.31Å; A402-I406 WeakPolarHBondContact O-CG1 3.37Å; A402-I406 PolarHBondContact O-N 2.8Å; Y403-I406 PolarHBondContact O-N 3.45Å; I406-H408 VanDerWaalsContact C-N 3.33Å; I406-H408 PolarHBondContact O-N 2.91Å; I406-Q409 PolarHBondContact O-N 3.47Å; I406-I410 HydrophobicContact CG2-CD1 3.82Å; I406-I410 HydrophobicContact CG2-CG1 4.47Å; I406-I410 WeakPolarHBondContact O-CG1 3.23Å; I406-I410 PolarHBondContact O-N 2.94Å |
| 407 | R | 67.6 | Low | 65.7 | Low | 69 Ų | 69 | 85.2 Ų | 85.2 | 26% | 0.26 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -55.9 | -48.1 | 175.7 | 177.7 | -175.5 | 164.8 | 116.9 | 3.3 | 111 | N131 Y403 S405 I410 L411 | N131-R407 VanDerWaalsContact C-NH2 3.26Å; N131-R407 PolarHBondContact O-NH2 2.93Å; Y403-R407 VanDerWaalsContact O-CB 3.29Å; Y403-R407 WeakPolarHBondContact O-CB 3.4Å; Y403-R407 PolarHBondContact O-N 3.13Å; S405-R407 VanDerWaalsContact C-N 3.34Å; R407-I410 PolarHBondContact O-N 3.48Å; R407-L411 HydrophobicContact CG-CD1 4.05Å; R407-L411 VanDerWaalsContact O-CG 3.32Å; R407-L411 WeakPolarHBondContact O-CG 3.32Å; R407-L411 PolarHBondContact O-N 2.76Å; R407-L411 VanDerWaalsContact O-N 3.08Å |
| 408 | H | 64.6 | Low | 66.3 | Low | 87 Ų | 87 | 88 Ų | 88 | 40% | 0.403 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 178.7 | -176.4 | 78 | 0 | 0 | 0 | 112.1 | R334 D404 S405 I406 L411 C412 | R334-H408 PolarHBondContact NH2-NE2 3.06Å; D404-H408 WeakPolarHBondContact O-CB 3.42Å; D404-H408 PolarHBondContact O-N 3.42Å; S405-H408 PolarHBondContact O-N 3.45Å; I406-H408 VanDerWaalsContact C-N 3.33Å; I406-H408 PolarHBondContact O-N 2.91Å; H408-L411 PolarHBondContact O-N 3Å; H408-C412 WeakPolarHBondContact O-CB 3.41Å; H408-C412 PolarHBondContact O-N 3.42Å; H408-C412 PolarHBondContact O-SG 2.91Å |
| 409 | Q | 68.5 | Low | 66.3 | Low | 54 Ų | 54 | 87.8 Ų | 87.8 | 25% | 0.252 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 178 | -75.5 | 175 | -21.4 | 0 | 0 | 112.9 | S337 S405 I406 L411 C412 R413 | S337-Q409 PolarHBondContact OG-NE2 3.28Å; S405-Q409 WeakPolarHBondContact O-CG 3.42Å; S405-Q409 PolarHBondContact O-N 3.28Å; I406-Q409 PolarHBondContact O-N 3.47Å; Q409-L411 VanDerWaalsContact C-N 3.34Å; Q409-L411 PolarHBondContact O-N 3.43Å; Q409-C412 PolarHBondContact O-N 3.42Å; Q409-R413 WeakPolarHBondContact O-CB 3.31Å; Q409-R413 PolarHBondContact O-N 3.4Å |
| 410 | I | 71.9 | Confident | 66.7 | Low | 113 Ų | 113 | 86 Ų | 86 | 58% | 0.579 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 177.4 | -66.9 | 168.5 | 0 | 0 | 0 | 110.1 | I406 R407 R413 A414 | I406-I410 HydrophobicContact CG2-CD1 3.82Å; I406-I410 HydrophobicContact CG2-CG1 4.47Å; I406-I410 WeakPolarHBondContact O-CG1 3.23Å; I406-I410 PolarHBondContact O-N 2.94Å; R407-I410 PolarHBondContact O-N 3.48Å; I410-R413 PolarHBondContact O-N 2.83Å; I410-A414 WeakPolarHBondContact O-CB 3.34Å; I410-A414 PolarHBondContact O-N 3.28Å |
| 411 | L | 65.1 | Low | 66.9 | Low | 60 Ų | 60 | 84 Ų | 84 | 31% | 0.314 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 178.3 | -71.4 | 172 | 0 | 0 | 0 | 111.9 | R407 H408 Q409 A414 F415 | R407-L411 HydrophobicContact CG-CD1 4.05Å; R407-L411 VanDerWaalsContact O-CG 3.32Å; R407-L411 WeakPolarHBondContact O-CG 3.32Å; R407-L411 PolarHBondContact O-N 2.76Å; R407-L411 VanDerWaalsContact O-N 3.08Å; H408-L411 PolarHBondContact O-N 3Å; Q409-L411 VanDerWaalsContact C-N 3.34Å; Q409-L411 PolarHBondContact O-N 3.43Å; L411-A414 PolarHBondContact O-N 2.97Å; L411-F415 VanDerWaalsContact O-CB 3.26Å; L411-F415 WeakPolarHBondContact O-CB 3.13Å; L411-F415 PolarHBondContact O-N 2.99Å |
| 412 | C | 68.5 | Low | 67.2 | Low | 38 Ų | 38 | 81.2 Ų | 81.2 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 175.3 | -73.9 | 0 | 0 | 0 | 0 | 111.6 | H408 Q409 F415 Y416 | H408-C412 WeakPolarHBondContact O-CB 3.41Å; H408-C412 PolarHBondContact O-N 3.42Å; H408-C412 PolarHBondContact O-SG 2.91Å; Q409-C412 PolarHBondContact O-N 3.42Å; C412-F415 PolarHBondContact O-N 3.11Å; C412-Y416 HydrophobicContact CB-CD2 4.31Å; C412-Y416 HydrophobicContact CB-CE2 4.16Å; C412-Y416 WeakPolarHBondContact O-CD2 3.43Å; C412-Y416 PolarHBondContact O-N 3.41Å |
| 413 | R | 69.2 | Low | 68 | Low | 160 Ų | 160 | 87 Ų | 87 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.3 | -42.4 | 179.7 | -174 | 164.2 | 172.9 | 84.2 | 2.6 | 112 | P342 Q409 I410 F415 G417 | P342-R413 PolarHBondContact O-NH2 3.4Å; Q409-R413 WeakPolarHBondContact O-CB 3.31Å; Q409-R413 PolarHBondContact O-N 3.4Å; I410-R413 PolarHBondContact O-N 2.83Å; R413-F415 VanDerWaalsContact C-N 3.34Å; R413-G417 PolarHBondContact O-N 3.26Å |
| 414 | A | 69.6 | Low | 68.4 | Low | 65 Ų | 65 | 83 Ų | 83 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I410 L411 G417 W418 | I410-A414 WeakPolarHBondContact O-CB 3.34Å; I410-A414 PolarHBondContact O-N 3.28Å; L411-A414 PolarHBondContact O-N 2.97Å; A414-G417 PolarHBondContact O-N 3.02Å; A414-W418 WeakPolarHBondContact O-CB 3.38Å; A414-W418 PolarHBondContact O-N 2.82Å |
| 415 | F | 72.3 | Confident | 68.8 | Low | 80 Ų | 80 | 80.7 Ų | 80.7 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 177.8 | 179.5 | -101.2 | 0 | 0 | 0 | 112.5 | L411 C412 R413 G417 W418 M419 | L411-F415 VanDerWaalsContact O-CB 3.26Å; L411-F415 WeakPolarHBondContact O-CB 3.13Å; L411-F415 PolarHBondContact O-N 2.99Å; C412-F415 PolarHBondContact O-N 3.11Å; R413-F415 VanDerWaalsContact C-N 3.34Å; F415-G417 VanDerWaalsContact C-N 3.34Å; F415-G417 PolarHBondContact O-N 2.82Å; F415-W418 HydrophobicContact CD2-CE3 4.34Å; F415-W418 HydrophobicContact CE2-CE3 4.23Å; F415-W418 HydrophobicContact CE2-CZ3 4.19Å; F415-W418 PolarHBondContact O-N 2.96Å; F415-M419 HydrophobicContact CD1-CG 4.08Å; F415-M419 HydrophobicContact CD2-CG 4.47Å; F415-M419 HydrophobicContact CE1-CG 3.65Å; F415-M419 HydrophobicContact CE1-SD 4.37Å; F415-M419 HydrophobicContact CE2-CG 4.08Å; F415-M419 HydrophobicContact CE2-SD 4.31Å; F415-M419 HydrophobicContact CG-CG 4.47Å; F415-M419 HydrophobicContact CZ-CG 3.65Å; F415-M419 HydrophobicContact CZ-SD 3.85Å; F415-M419 WeakPolarHBondContact O-CB 3.25Å; F415-M419 VanDerWaalsContact O-CG 3.29Å; F415-M419 WeakPolarHBondContact O-CG 3.25Å; F415-M419 PolarHBondContact O-N 3.49Å |
| 416 | Y | 68.1 | Low | 69.2 | Low | 157 Ų | 157 | 86.1 Ų | 86.1 | 62% | 0.616 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.1 | -36 | 177.5 | -72.2 | -60 | 0 | 0 | 0 | 112.3 | C412 M419 A420 | C412-Y416 HydrophobicContact CB-CD2 4.31Å; C412-Y416 HydrophobicContact CB-CE2 4.16Å; C412-Y416 WeakPolarHBondContact O-CD2 3.43Å; C412-Y416 PolarHBondContact O-N 3.41Å; Y416-M419 PolarHBondContact O-N 2.69Å; Y416-A420 WeakPolarHBondContact O-CB 3.2Å; Y416-A420 PolarHBondContact O-N 3.35Å |
| 417 | G | 65.6 | Low | 69.6 | Low | 43 Ų | 43 | 83.6 Ų | 83.6 | 44% | 0.443 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R413 A414 F415 A420 F421 | R413-G417 PolarHBondContact O-N 3.26Å; A414-G417 PolarHBondContact O-N 3.02Å; F415-G417 VanDerWaalsContact C-N 3.34Å; F415-G417 PolarHBondContact O-N 2.82Å; G417-A420 PolarHBondContact O-N 3Å; G417-F421 WeakPolarHBondContact O-CB 3.34Å; G417-F421 PolarHBondContact O-N 3.24Å |
| 418 | W | 71 | Confident | 69.9 | Low | 153 Ų | 153 | 80.3 Ų | 80.3 | 58% | 0.58 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.6 | -38.9 | 175.8 | 176.9 | 78.1 | 0 | 0 | 0 | 113 | A414 F415 F421 S422 | A414-W418 WeakPolarHBondContact O-CB 3.38Å; A414-W418 PolarHBondContact O-N 2.82Å; F415-W418 HydrophobicContact CD2-CE3 4.34Å; F415-W418 HydrophobicContact CE2-CE3 4.23Å; F415-W418 HydrophobicContact CE2-CZ3 4.19Å; F415-W418 PolarHBondContact O-N 2.96Å; W418-F421 PolarHBondContact O-N 3.48Å; W418-S422 WeakPolarHBondContact O-CB 3.39Å; W418-S422 PolarHBondContact O-N 3.29Å; W418-S422 PolarHBondContact O-OG 2.85Å |
| 419 | M | 63.6 | Low | 70.5 | Confident | 30 Ų | 30 | 83.2 Ų | 83.2 | 15% | 0.148 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.1 | -44 | 174.5 | -76.9 | -68.8 | -62 | 0 | 0 | 111.7 | E2 F415 Y416 S422 R423 | E2-M419 HydrophobicContact CG-CE 3.68Å; E2-M419 WeakPolarHBondContact OE1-CE 3.31Å; F415-M419 HydrophobicContact CD1-CG 4.08Å; F415-M419 HydrophobicContact CD2-CG 4.47Å; F415-M419 HydrophobicContact CE1-CG 3.65Å; F415-M419 HydrophobicContact CE1-SD 4.37Å; F415-M419 HydrophobicContact CE2-CG 4.08Å; F415-M419 HydrophobicContact CE2-SD 4.31Å; F415-M419 HydrophobicContact CG-CG 4.47Å; F415-M419 HydrophobicContact CZ-CG 3.65Å; F415-M419 HydrophobicContact CZ-SD 3.85Å; F415-M419 WeakPolarHBondContact O-CB 3.25Å; F415-M419 VanDerWaalsContact O-CG 3.29Å; F415-M419 WeakPolarHBondContact O-CG 3.25Å; F415-M419 PolarHBondContact O-N 3.49Å; Y416-M419 PolarHBondContact O-N 2.69Å; M419-S422 PolarHBondContact O-N 3.35Å; M419-R423 WeakPolarHBondContact O-CG 3.48Å; M419-R423 PolarHBondContact O-N 2.99Å |
| 420 | A | 68.3 | Low | 71 | Confident | 57 Ų | 57 | 84.3 Ų | 84.3 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y416 G417 S422 R423 H424 | Y416-A420 WeakPolarHBondContact O-CB 3.2Å; Y416-A420 PolarHBondContact O-N 3.35Å; G417-A420 PolarHBondContact O-N 3Å; A420-S422 VanDerWaalsContact C-N 3.32Å; A420-S422 PolarHBondContact O-N 3.04Å; A420-R423 PolarHBondContact O-N 3.5Å; A420-H424 VanDerWaalsContact O-CB 3.25Å; A420-H424 WeakPolarHBondContact O-CB 3.48Å; A420-H424 PolarHBondContact O-N 2.8Å |
| 421 | F | 71.5 | Confident | 71.2 | Confident | 120 Ų | 120 | 83.4 Ų | 83.4 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.5 | -43 | 173.5 | 176.2 | -99 | 0 | 0 | 0 | 112 | G417 W418 H424 M425 | G417-F421 WeakPolarHBondContact O-CB 3.34Å; G417-F421 PolarHBondContact O-N 3.24Å; W418-F421 PolarHBondContact O-N 3.48Å; F421-H424 WeakPolarHBondContact O-CB 3.22Å; F421-H424 PolarHBondContact O-N 2.96Å; F421-M425 HydrophobicContact CD1-CG 4.17Å; F421-M425 HydrophobicContact CD2-CG 4.34Å; F421-M425 HydrophobicContact CE1-CG 3.69Å; F421-M425 HydrophobicContact CE2-CG 3.87Å; F421-M425 HydrophobicContact CE2-SD 4.17Å; F421-M425 HydrophobicContact CG-CG 4.48Å; F421-M425 HydrophobicContact CZ-CG 3.52Å; F421-M425 HydrophobicContact CZ-SD 3.96Å; F421-M425 WeakPolarHBondContact O-CB 3.46Å; F421-M425 WeakPolarHBondContact O-CG 3.12Å; F421-M425 PolarHBondContact O-N 3.05Å |
| 422 | S | 71 | Confident | 72.1 | Confident | 41 Ų | 41 | 80.6 Ų | 80.6 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66 | -40 | 178.9 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | W418 M419 A420 K426 | W418-S422 WeakPolarHBondContact O-CB 3.39Å; W418-S422 PolarHBondContact O-N 3.29Å; W418-S422 PolarHBondContact O-OG 2.85Å; M419-S422 PolarHBondContact O-N 3.35Å; A420-S422 VanDerWaalsContact C-N 3.32Å; A420-S422 PolarHBondContact O-N 3.04Å; S422-K426 VanDerWaalsContact O-CB 3.31Å; S422-K426 WeakPolarHBondContact O-CB 3.32Å; S422-K426 PolarHBondContact O-N 2.87Å |
| 423 | R | 72.7 | Confident | 72.8 | Confident | 156 Ų | 156 | 84.4 Ų | 84.4 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 173.5 | -74.4 | 176.2 | 178.2 | -172.1 | -1.5 | 111.9 | E2 M419 A420 K426 M427 | E2-R423 IonicContact OE1-CZ 2.72Å; E2-R423 IonicContact OE1-NE 3.73Å; E2-R423 PolarHBondContact OE1-NE 3.42Å; E2-R423 IonicContact OE1-NH2 3.84Å; E2-R423 PolarHBondContact OE1-NH2 3.35Å; M419-R423 WeakPolarHBondContact O-CG 3.48Å; M419-R423 PolarHBondContact O-N 2.99Å; A420-R423 PolarHBondContact O-N 3.5Å; R423-K426 PolarHBondContact O-N 2.87Å; R423-M427 PolarHBondContact O-N 3.4Å |
| 424 | H | 72.2 | Confident | 73.5 | Confident | 66 Ų | 66 | 79.4 Ų | 79.4 | 31% | 0.306 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 175.6 | 178.2 | 82.8 | 0 | 0 | 0 | 111.2 | A420 F421 K426 M427 I428 V776 | A420-H424 VanDerWaalsContact O-CB 3.25Å; A420-H424 WeakPolarHBondContact O-CB 3.48Å; A420-H424 PolarHBondContact O-N 2.8Å; F421-H424 WeakPolarHBondContact O-CB 3.22Å; F421-H424 PolarHBondContact O-N 2.96Å; H424-K426 VanDerWaalsContact C-N 3.3Å; H424-K426 PolarHBondContact O-N 3.03Å; H424-M427 PolarHBondContact O-N 3.24Å; H424-I428 WeakPolarHBondContact O-CG1 3.06Å; H424-I428 PolarHBondContact O-N 3.3Å; H424-V776 VanDerWaalsContact CE1-CG1 3.41Å; H424-V776 WeakPolarHBondContact CE1-CG1 3.37Å; H424-V776 PolarHBondContact CE1-O 3.19Å |
| 425 | M | 73.2 | Confident | 74.3 | Confident | 28 Ų | 28 | 76.3 Ų | 76.3 | 14% | 0.138 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 175.3 | -73.7 | -60 | -61 | 0 | 0 | 112.8 | F421 R429 I888 | F421-M425 HydrophobicContact CD1-CG 4.17Å; F421-M425 HydrophobicContact CD2-CG 4.34Å; F421-M425 HydrophobicContact CE1-CG 3.69Å; F421-M425 HydrophobicContact CE2-CG 3.87Å; F421-M425 HydrophobicContact CE2-SD 4.17Å; F421-M425 HydrophobicContact CG-CG 4.48Å; F421-M425 HydrophobicContact CZ-CG 3.52Å; F421-M425 HydrophobicContact CZ-SD 3.96Å; F421-M425 WeakPolarHBondContact O-CB 3.46Å; F421-M425 WeakPolarHBondContact O-CG 3.12Å; F421-M425 PolarHBondContact O-N 3.05Å; M425-R429 WeakPolarHBondContact O-CB 3.3Å; M425-R429 VanDerWaalsContact O-CG 3.25Å; M425-R429 WeakPolarHBondContact O-CG 3.39Å; M425-R429 PolarHBondContact O-N 3.45Å; M425-I888 HydrophobicContact CE-CG2 3.9Å; M425-I888 HydrophobicContact SD-CG2 3.88Å |
| 426 | K | 73.7 | Confident | 74.9 | Confident | 137 Ų | 137 | 72.8 Ų | 72.8 | 60% | 0.596 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.6 | -49.6 | 175 | -174.7 | 178.3 | 179 | -178.9 | 0 | 110.7 | S422 R423 H424 I428 R429 T430 | S422-K426 VanDerWaalsContact O-CB 3.31Å; S422-K426 WeakPolarHBondContact O-CB 3.32Å; S422-K426 PolarHBondContact O-N 2.87Å; R423-K426 PolarHBondContact O-N 2.87Å; H424-K426 VanDerWaalsContact C-N 3.3Å; H424-K426 PolarHBondContact O-N 3.03Å; K426-I428 VanDerWaalsContact C-N 3.35Å; K426-I428 PolarHBondContact O-N 3.39Å; K426-R429 PolarHBondContact O-N 3.39Å; K426-R429 VanDerWaalsContact O-N 3.15Å; K426-T430 HydrophobicContact CG-CG2 4.03Å; K426-T430 WeakPolarHBondContact O-CB 3.48Å; K426-T430 WeakPolarHBondContact O-CG2 3.48Å; K426-T430 PolarHBondContact O-N 3.06Å; K426-T430 PolarHBondContact O-OG1 3.44Å |
| 427 | M | 72.6 | Confident | 75.5 | Confident | 42 Ų | 42 | 67.8 Ų | 67.8 | 21% | 0.207 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.5 | -47.8 | 178.7 | -176.4 | -156.6 | -72.4 | 0 | 0 | 111.6 | R423 H424 R429 T430 H431 Q775 V776 | R423-M427 PolarHBondContact O-N 3.4Å; H424-M427 PolarHBondContact O-N 3.24Å; M427-R429 VanDerWaalsContact C-N 3.33Å; M427-R429 PolarHBondContact O-N 3.23Å; M427-T430 PolarHBondContact O-N 3.14Å; M427-T430 PolarHBondContact O-OG1 3.44Å; M427-H431 PolarHBondContact O-N 2.93Å; M427-Q775 VanDerWaalsContact CE-CD 3.46Å; M427-Q775 HydrophobicContact CE-CG 4.2Å; M427-V776 HydrophobicContact SD-CG2 3.51Å; M427-V776 VanDerWaalsContact SD-CG2 3.51Å |
| 428 | I | 75.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -58 | -46.8 | 177.1 | -64.8 | 170.1 | 0 | 0 | 0 | 110.5 | H424 K426 L432 K433 V776 L885 I888 L889 | H424-I428 WeakPolarHBondContact O-CG1 3.06Å; H424-I428 PolarHBondContact O-N 3.3Å; K426-I428 VanDerWaalsContact C-N 3.35Å; K426-I428 PolarHBondContact O-N 3.39Å; I428-L432 HydrophobicContact CG1-CD1 4.31Å; I428-L432 CarbonylContact O-C 3.37Å; I428-L432 WeakPolarHBondContact O-CA 3.32Å; I428-L432 WeakPolarHBondContact O-CB 3.45Å; I428-L432 PolarHBondContact O-N 3.31Å; I428-K433 PolarHBondContact O-N 3.06Å; I428-K433 VanDerWaalsContact O-N 3.14Å; I428-V776 HydrophobicContact CD1-CG1 3.68Å; I428-V776 HydrophobicContact CG1-CG1 3.79Å; I428-V776 HydrophobicContact CG1-CG2 3.92Å; I428-L885 HydrophobicContact CG2-CD1 3.65Å; I428-I888 HydrophobicContact CD1-CG2 3.89Å; I428-I888 HydrophobicContact CG2-CG2 3.85Å; I428-L889 HydrophobicContact CG2-CD2 3.81Å; I428-L889 HydrophobicContact CG2-CG 4.18Å |
| 429 | R | 76.9 | Confident | 74.9 | Confident | 147 Ų | 147 | 68.6 Ų | 68.6 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | I | π-helix | trans | -72.9 | -31.1 | -178.1 | -72.2 | 174.5 | 178.3 | 179.1 | -0.8 | 114.3 | M425 K426 M427 K433 L889 | M425-R429 WeakPolarHBondContact O-CB 3.3Å; M425-R429 VanDerWaalsContact O-CG 3.25Å; M425-R429 WeakPolarHBondContact O-CG 3.39Å; M425-R429 PolarHBondContact O-N 3.45Å; K426-R429 PolarHBondContact O-N 3.39Å; K426-R429 VanDerWaalsContact O-N 3.15Å; M427-R429 VanDerWaalsContact C-N 3.33Å; M427-R429 PolarHBondContact O-N 3.23Å; R429-K433 WeakPolarHBondContact O-CB 3.48Å; R429-L889 HydrophobicContact CG-CD2 4.15Å |
| 430 | T | 77.7 | Confident | 74.7 | Confident | 78 Ų | 78 | 68 Ų | 68 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -86.5 | -37.8 | -177.6 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | K426 M427 | K426-T430 HydrophobicContact CG-CG2 4.03Å; K426-T430 WeakPolarHBondContact O-CB 3.48Å; K426-T430 WeakPolarHBondContact O-CG2 3.48Å; K426-T430 PolarHBondContact O-N 3.06Å; K426-T430 PolarHBondContact O-OG1 3.44Å; M427-T430 PolarHBondContact O-N 3.14Å; M427-T430 PolarHBondContact O-OG1 3.44Å |
| 431 | H | 77.3 | Confident | 74.2 | Confident | 94 Ų | 94 | 72.1 Ų | 72.1 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | I | π-helix | trans | -111.2 | -38.8 | -171.9 | -54.1 | -71.2 | 0 | 0 | 0 | 113.4 | M427 S434 Y769 | M427-H431 PolarHBondContact O-N 2.93Å; H431-S434 PolarHBondContact O-OG 3.25Å; H431-Y769 VanDerWaalsContact O-CE1 3.29Å; H431-Y769 WeakPolarHBondContact O-CE1 3.46Å |
| 432 | L | 83.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -88.3 | -9.5 | -178.5 | -57.4 | -179.2 | 0 | 0 | 0 | 113.7 | I428 S434 L435 Y769 Q772 L773 V776 L885 | I428-L432 HydrophobicContact CG1-CD1 4.31Å; I428-L432 CarbonylContact O-C 3.37Å; I428-L432 WeakPolarHBondContact O-CA 3.32Å; I428-L432 WeakPolarHBondContact O-CB 3.45Å; I428-L432 PolarHBondContact O-N 3.31Å; L432-S434 PolarHBondContact O-N 3.39Å; L432-L435 HydrophobicContact CB-CD1 4.49Å; L432-L435 HydrophobicContact CD2-CD1 3.86Å; L432-L435 WeakPolarHBondContact O-CB 3.38Å; L432-L435 PolarHBondContact O-N 3.41Å; L432-L435 VanDerWaalsContact O-N 3.12Å; L432-Y769 HydrophobicContact CD2-CD1 4.21Å; L432-Q772 HydrophobicContact CD2-CB 3.87Å; L432-L773 HydrophobicContact CD1-CD1 4.21Å; L432-V776 HydrophobicContact CD1-CG2 4.17Å; L432-L885 HydrophobicContact CB-CD1 4.01Å; L432-L885 HydrophobicContact CB-CD2 4.23Å; L432-L885 HydrophobicContact CD1-CD1 4.12Å |
| 433 | K | 82.8 | Confident | 72.9 | Confident | 119 Ų | 119 | 69.5 Ų | 69.5 | 52% | 0.517 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -59.5 | -33.8 | 179.2 | -176.6 | -178.2 | 178 | -172.1 | 0 | 113 | I428 R429 L435 V436 L889 | I428-K433 PolarHBondContact O-N 3.06Å; I428-K433 VanDerWaalsContact O-N 3.14Å; R429-K433 WeakPolarHBondContact O-CB 3.48Å; K433-L435 PolarHBondContact O-N 3.43Å; K433-V436 PolarHBondContact O-N 2.86Å; K433-V436 VanDerWaalsContact O-O 3.09Å; K433-L889 HydrophobicContact CB-CD2 4.19Å |
| 434 | S | 83.9 | Confident | 72.3 | Confident | 54 Ų | 54 | 69 Ų | 69 | 38% | 0.378 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -66.6 | -19.8 | 178.6 | 52 | 0 | 0 | 0 | 0 | 113.9 | H431 L432 V436 Y769 T830 | H431-S434 PolarHBondContact O-OG 3.25Å; L432-S434 PolarHBondContact O-N 3.39Å; S434-V436 VanDerWaalsContact C-N 3.28Å; S434-Y769 WeakPolarHBondContact OG-CE1 3.31Å; S434-Y769 PolarHBondContact OG-OH 3.05Å; S434-T830 PolarHBondContact O-OG1 2.94Å |
| 435 | L | 86.7 | Confident | 71.6 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -75.6 | -17.9 | 178.2 | -67.6 | 175.3 | 0 | 0 | 0 | 112.9 | L432 K433 Y769 S829 N831 V834 F835 L885 | L432-L435 HydrophobicContact CB-CD1 4.49Å; L432-L435 HydrophobicContact CD2-CD1 3.86Å; L432-L435 WeakPolarHBondContact O-CB 3.38Å; L432-L435 PolarHBondContact O-N 3.41Å; L432-L435 VanDerWaalsContact O-N 3.12Å; K433-L435 PolarHBondContact O-N 3.43Å; L435-Y769 HydrophobicContact CD1-CD1 3.97Å; L435-Y769 HydrophobicContact CD1-CG 4.05Å; L435-Y769 HydrophobicContact CD2-CD1 4.09Å; L435-Y769 HydrophobicContact CD2-CD2 3.62Å; L435-Y769 HydrophobicContact CD2-CE1 4.33Å; L435-Y769 HydrophobicContact CD2-CE2 3.9Å; L435-Y769 HydrophobicContact CD2-CG 3.75Å; L435-Y769 HydrophobicContact CG-CD1 3.96Å; L435-Y769 HydrophobicContact CG-CD2 4.4Å; L435-Y769 HydrophobicContact CG-CE1 4.19Å; L435-Y769 HydrophobicContact CG-CG 4.09Å; L435-S829 VanDerWaalsContact O-CA 3.31Å; L435-S829 WeakPolarHBondContact O-CA 3.43Å; L435-S829 VanDerWaalsContact O-CB 3.23Å; L435-S829 WeakPolarHBondContact O-CB 3.3Å; L435-S829 PolarHBondContact O-OG 3.22Å; L435-N831 HydrophobicContact CD2-CB 4.06Å; L435-V834 HydrophobicContact CD1-CG1 4.44Å; L435-V834 HydrophobicContact CD2-CG2 4.32Å; L435-F835 HydrophobicContact CB-CE2 4.35Å; L435-F835 HydrophobicContact CB-CZ 4.13Å; L435-F835 HydrophobicContact CD1-CZ 4.4Å; L435-L885 HydrophobicContact CB-CD2 4.33Å; L435-L885 HydrophobicContact CD1-CD2 4.37Å |
| 436 | V | 85.8 | Confident | 70.6 | Confident | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -121.6 | 125.6 | -173.4 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | K433 S434 C438 F882 L885 F886 L889 | K433-V436 PolarHBondContact O-N 2.86Å; K433-V436 VanDerWaalsContact O-O 3.09Å; S434-V436 VanDerWaalsContact C-N 3.28Å; V436-C438 PolarHBondContact O-N 2.95Å; V436-F882 HydrophobicContact CG1-CE2 4.31Å; V436-F882 HydrophobicContact CG1-CZ 4.17Å; V436-F882 HydrophobicContact CG2-CE2 4.11Å; V436-L885 HydrophobicContact CG2-CB 4.48Å; V436-L885 HydrophobicContact CG2-CD2 3.68Å; V436-L885 HydrophobicContact CG2-CG 3.87Å; V436-F886 HydrophobicContact CG1-CB 4.35Å; V436-F886 HydrophobicContact CG1-CD2 3.5Å; V436-F886 HydrophobicContact CG1-CE2 4.28Å; V436-F886 HydrophobicContact CG1-CG 4.39Å; V436-L889 HydrophobicContact CB-CD1 3.92Å; V436-L889 HydrophobicContact CG2-CD1 3.87Å |
| 437 | N | 80.2 | Confident | 69.8 | Low | 53 Ų | 53 | 66.2 Ų | 66.2 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | trans | -79.7 | 104.7 | 173.4 | -66.2 | -21.9 | 0 | 0 | 0 | 108.6 | D439 V440 L828 | N437-D439 VanDerWaalsContact C-N 3.27Å; N437-D439 PolarHBondContact O-N 2.96Å; N437-V440 VanDerWaalsContact O-CG2 3.3Å; N437-V440 WeakPolarHBondContact O-CG2 3.06Å; N437-L828 PolarHBondContact N-O 3.16Å | ||
| 438 | C | 61.7 | Low | 68.9 | Low | 57 Ų | 57 | 67.2 Ų | 67.2 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.9 | -172.7 | -70.2 | 0 | 0 | 0 | 0 | 114.9 | V436 V440 | V436-C438 PolarHBondContact O-N 2.95Å; C438-V440 PolarHBondContact O-N 3.45Å |
| 439 | D | 62.6 | Low | 67.8 | Low | 155 Ų | 155 | 74.2 Ų | 74.2 | 83% | 0.829 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 6.7 | -177.6 | -67.6 | -18.7 | 0 | 0 | 0 | 113.6 | N437 D441 | N437-D439 VanDerWaalsContact C-N 3.27Å; N437-D439 PolarHBondContact O-N 2.96Å; D439-D441 PolarHBondContact O-N 3.36Å |
| 440 | V | 59.7 | Low | 66.8 | Low | 17 Ų | 17 | 73.9 Ų | 73.9 | 10% | 0.103 | 40% | 0.398 | C | S | . | . | trans | -81.1 | 65.9 | 174.2 | -167.1 | 0 | 0 | 0 | 0 | 109.3 | N437 C438 N442 Y443 I446 H827 L828 F886 | N437-V440 VanDerWaalsContact O-CG2 3.3Å; N437-V440 WeakPolarHBondContact O-CG2 3.06Å; C438-V440 PolarHBondContact O-N 3.45Å; V440-N442 PolarHBondContact O-N 2.8Å; V440-Y443 HydrophobicContact CG1-CD2 4.28Å; V440-Y443 PolarHBondContact O-N 3.44Å; V440-I446 HydrophobicContact CG1-CD1 4.06Å; V440-H827 WeakPolarHBondContact CG2-O 3.25Å; V440-L828 HydrophobicContact CG1-CD2 4.3Å; V440-L828 HydrophobicContact CG2-CD2 4.47Å; V440-F886 HydrophobicContact CB-CE2 4.14Å; V440-F886 HydrophobicContact CB-CZ 4.49Å; V440-F886 WeakPolarHBondContact O-CZ 3.39Å | ||
| 441 | D | 56 | Low | 66.1 | Low | 144 Ų | 144 | 75 Ų | 75 | 77% | 0.77 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -26.3 | 174.3 | -76.5 | -34.1 | 0 | 0 | 0 | 112.3 | D439 | D439-D441 PolarHBondContact O-N 3.36Š|
| 442 | N | 56.3 | Low | 65.7 | Low | 94 Ų | 94 | 72.6 Ų | 72.6 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 12.4 | -168.5 | -83.4 | -9.9 | 0 | 0 | 0 | 114.7 | V440 E444 S445 I446 | V440-N442 PolarHBondContact O-N 2.8Å; N442-E444 VanDerWaalsContact C-N 3.3Å; N442-E444 PolarHBondContact O-N 2.96Å; N442-S445 WeakPolarHBondContact CB-OG 3.37Å; N442-S445 WeakPolarHBondContact O-CA 3.39Å; N442-S445 PolarHBondContact O-N 3.42Å; N442-S445 PolarHBondContact O-OG 3.38Å; N442-I446 HydrophobicContact CB-CD1 4.34Å; N442-I446 HydrophobicContact CB-CG1 4.44Å; N442-I446 WeakPolarHBondContact O-CD1 3.17Å; N442-I446 WeakPolarHBondContact O-CG1 3.41Å; N442-I446 PolarHBondContact O-N 3.31Å |
| 443 | Y | 60.4 | Low | 65.8 | Low | 12 Ų | 12 | 76.4 Ų | 76.4 | 5% | 0.047 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -51.9 | -49.6 | -177.8 | -169.9 | -89.5 | 0 | 0 | 0 | 111.1 | V440 S445 I446 Y447 L828 F882 E883 F886 | V440-Y443 HydrophobicContact CG1-CD2 4.28Å; V440-Y443 PolarHBondContact O-N 3.44Å; Y443-S445 PolarHBondContact O-N 2.69Å; Y443-I446 WeakPolarHBondContact O-CB 3.43Å; Y443-I446 PolarHBondContact O-N 3.17Å; Y443-I446 VanDerWaalsContact O-N 3.13Å; Y443-Y447 AromaticContact CD1-CD2 3.88Å; Y443-Y447 HydrophobicContact CD1-CD2 3.88Å; Y443-Y447 AromaticContact CD1-CE2 3.57Å; Y443-Y447 HydrophobicContact CD1-CE2 3.57Å; Y443-Y447 AromaticContact CD2-CE2 3.67Å; Y443-Y447 HydrophobicContact CD2-CE2 3.67Å; Y443-Y447 AromaticContact CE1-CD2 3.6Å; Y443-Y447 HydrophobicContact CE1-CD2 3.6Å; Y443-Y447 AromaticContact CE1-CE2 3.15Å; Y443-Y447 HydrophobicContact CE1-CE2 3.15Å; Y443-Y447 AromaticContact CE1-CZ 3.85Å; Y443-Y447 HydrophobicContact CE2-CD2 4.44Å; Y443-Y447 AromaticContact CE2-CE2 3.28Å; Y443-Y447 HydrophobicContact CE2-CE2 3.28Å; Y443-Y447 AromaticContact CE2-CZ 3.57Å; Y443-Y447 WeakPolarHBondContact CE2-OH 3.43Å; Y443-Y447 HydrophobicContact CG-CD2 4.41Å; Y443-Y447 AromaticContact CG-CE2 3.82Å; Y443-Y447 HydrophobicContact CG-CE2 3.82Å; Y443-Y447 AromaticContact CZ-CD2 3.95Å; Y443-Y447 AromaticContact CZ-CE2 3.03Å; Y443-Y447 AromaticContact CZ-CZ 3.29Å; Y443-Y447 WeakPolarHBondContact O-CD2 3.42Å; Y443-Y447 WeakPolarHBondContact O-CE2 3.22Å; Y443-Y447 WeakPolarHBondContact OH-CE2 3.44Å; Y443-Y447 PolarHBondContact OH-OH 3Å; Y443-L828 HydrophobicContact CD2-CD2 3.86Å; Y443-L828 HydrophobicContact CE2-CD1 4.48Å; Y443-L828 HydrophobicContact CE2-CD2 3.93Å; Y443-F882 AromaticContact CD2-CE1 3.82Å; Y443-F882 HydrophobicContact CD2-CE1 3.82Å; Y443-F882 AromaticContact CE2-CD1 3.69Å; Y443-F882 HydrophobicContact CE2-CD1 3.69Å; Y443-F882 AromaticContact CE2-CE1 3.24Å; Y443-F882 HydrophobicContact CE2-CE1 3.24Å; Y443-F882 HydrophobicContact CE2-CZ 4.35Å; Y443-F882 AromaticContact CZ-CD1 3.79Å; Y443-F882 AromaticContact CZ-CE1 3.79Å; Y443-E883 HydrophobicContact CE1-CG 3.65Å; Y443-E883 WeakPolarHBondContact OH-CG 3.41Å; Y443-F886 HydrophobicContact CD1-CD1 4.45Å; Y443-F886 HydrophobicContact CG-CD1 4.39Å; Y443-F886 HydrophobicContact CG-CE1 4.31Å |
| 444 | E | 59.3 | Low | 66.2 | Low | 145 Ų | 145 | 76.2 Ų | 76.2 | 68% | 0.678 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.1 | -41.2 | 175.8 | -79.3 | 171.2 | 154.4 | 0 | 0 | 113.4 | N442 I446 Y447 A448 K890 | N442-E444 VanDerWaalsContact C-N 3.3Å; N442-E444 PolarHBondContact O-N 2.96Å; E444-I446 PolarHBondContact O-N 2.82Å; E444-Y447 PolarHBondContact O-N 2.72Å; E444-A448 WeakPolarHBondContact O-CB 3.43Å; E444-A448 PolarHBondContact O-N 3.35Å; E444-K890 IonicContact OE2-NZ 2.91Å |
| 445 | S | 57.6 | Low | 66.6 | Low | 70 Ų | 70 | 73.6 Ų | 73.6 | 49% | 0.49 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.9 | -28.2 | 178.8 | 80.6 | 0 | 0 | 0 | 0 | 112.6 | N442 Y443 | N442-S445 WeakPolarHBondContact CB-OG 3.37Å; N442-S445 WeakPolarHBondContact O-CA 3.39Å; N442-S445 PolarHBondContact O-N 3.42Å; N442-S445 PolarHBondContact O-OG 3.38Å; Y443-S445 PolarHBondContact O-N 2.69Å |
| 446 | I | 53.6 | Low | 66.9 | Low | 47 Ų | 47 | 75.8 Ų | 75.8 | 24% | 0.241 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.6 | -36.9 | -177.4 | -73.4 | 165.3 | 0 | 0 | 0 | 110.4 | V440 N442 Y443 E444 H477 | V440-I446 HydrophobicContact CG1-CD1 4.06Å; N442-I446 HydrophobicContact CB-CD1 4.34Å; N442-I446 HydrophobicContact CB-CG1 4.44Å; N442-I446 WeakPolarHBondContact O-CD1 3.17Å; N442-I446 WeakPolarHBondContact O-CG1 3.41Å; N442-I446 PolarHBondContact O-N 3.31Å; Y443-I446 WeakPolarHBondContact O-CB 3.43Å; Y443-I446 PolarHBondContact O-N 3.17Å; Y443-I446 VanDerWaalsContact O-N 3.13Å; E444-I446 PolarHBondContact O-N 2.82Å; I446-H477 HydrophobicContact CG2-CB 3.94Å; I446-H477 WeakPolarHBondContact CG2-CD2 3.38Å; I446-H477 VanDerWaalsContact CG2-NE2 3.27Å; I446-H477 WeakPolarHBondContact CG2-NE2 3.43Å; I446-H477 PolarHBondContact O-CE1 3.08Å; I446-H477 PolarHBondContact O-ND1 2.98Å; I446-H477 PolarHBondContact O-NE2 3.31Å |
| 447 | Y | 56.6 | Low | 67.2 | Low | 57 Ų | 57 | 77 Ų | 77 | 22% | 0.224 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -90.8 | -18.2 | -179.5 | -61.9 | -88.1 | 0 | 0 | 0 | 115.1 | Y443 E444 N449 H477 Y480 V481 | Y443-Y447 AromaticContact CD1-CD2 3.88Å; Y443-Y447 HydrophobicContact CD1-CD2 3.88Å; Y443-Y447 AromaticContact CD1-CE2 3.57Å; Y443-Y447 HydrophobicContact CD1-CE2 3.57Å; Y443-Y447 AromaticContact CD2-CE2 3.67Å; Y443-Y447 HydrophobicContact CD2-CE2 3.67Å; Y443-Y447 AromaticContact CE1-CD2 3.6Å; Y443-Y447 HydrophobicContact CE1-CD2 3.6Å; Y443-Y447 AromaticContact CE1-CE2 3.15Å; Y443-Y447 HydrophobicContact CE1-CE2 3.15Å; Y443-Y447 AromaticContact CE1-CZ 3.85Å; Y443-Y447 HydrophobicContact CE2-CD2 4.44Å; Y443-Y447 AromaticContact CE2-CE2 3.28Å; Y443-Y447 HydrophobicContact CE2-CE2 3.28Å; Y443-Y447 AromaticContact CE2-CZ 3.57Å; Y443-Y447 WeakPolarHBondContact CE2-OH 3.43Å; Y443-Y447 HydrophobicContact CG-CD2 4.41Å; Y443-Y447 AromaticContact CG-CE2 3.82Å; Y443-Y447 HydrophobicContact CG-CE2 3.82Å; Y443-Y447 AromaticContact CZ-CD2 3.95Å; Y443-Y447 AromaticContact CZ-CE2 3.03Å; Y443-Y447 AromaticContact CZ-CZ 3.29Å; Y443-Y447 WeakPolarHBondContact O-CD2 3.42Å; Y443-Y447 WeakPolarHBondContact O-CE2 3.22Å; Y443-Y447 WeakPolarHBondContact OH-CE2 3.44Å; Y443-Y447 PolarHBondContact OH-OH 3Å; E444-Y447 PolarHBondContact O-N 2.72Å; Y447-N449 PolarHBondContact O-N 2.94Å; Y447-H477 AromaticContact CD1-NE2 3.75Å; Y447-H477 AromaticContact CE1-NE2 3.66Å; Y447-Y480 HydrophobicContact CE1-CE1 4.28Å; Y447-Y480 WeakPolarHBondContact OH-CE1 3.29Å; Y447-V481 HydrophobicContact CD1-CG2 4.31Å; Y447-V481 HydrophobicContact CE1-CG2 3.83Å |
| 448 | A | 53.5 | Low | 67.8 | Low | 63 Ų | 63 | 80.9 Ų | 80.9 | 52% | 0.521 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -73 | -20.2 | -155.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | E444 | E444-A448 WeakPolarHBondContact O-CB 3.43Å; E444-A448 PolarHBondContact O-N 3.35Å |
| 449 | N | 52 | Low | 69.2 | Low | 146 Ų | 146 | 81 Ų | 81 | 78% | 0.781 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -137.3 | 3 | -153 | -79.3 | -31.3 | 0 | 0 | 0 | 120 | Y447 | Y447-N449 PolarHBondContact O-N 2.94Š|
| 450 | E | 55.5 | Low | 70.7 | Confident | 141 Ų | 141 | 74.4 Ų | 74.4 | 66% | 0.659 | 41% | 0.412 | S | S | * | . | trans | -137.9 | 143.1 | 177.7 | -70.2 | -177.4 | 179.9 | 0 | 0 | 112.5 | L452 R478 | E450-L452 WeakPolarHBondContact O-CD1 3.37Å; E450-L452 PolarHBondContact O-N 2.87Å; E450-R478 IonicContact OE2-NH2 2.71Å | ||
| 451 | A | 62 | Low | 72.1 | Confident | 100 Ų | 100 | 77.9 Ų | 77.9 | 83% | 0.826 | 43% | 0.434 | S | S | * | . | trans | -64.8 | 87.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | T453 | A451-T453 PolarHBondContact O-N 3.46Š| ||
| 452 | L | 70.4 | Confident | 73.9 | Confident | 44 Ų | 44 | 73.5 Ų | 73.5 | 23% | 0.23 | 41% | 0.414 | C | S | . | . | trans | -69.1 | 126.9 | -177.5 | -76.1 | 119.5 | 0 | 0 | 0 | 109.7 | E450 R478 C482 | E450-L452 WeakPolarHBondContact O-CD1 3.37Å; E450-L452 PolarHBondContact O-N 2.87Å; L452-R478 HydrophobicContact CD2-CB 4.12Å; L452-R478 HydrophobicContact CD2-CG 4.17Å; L452-C482 VanDerWaalsContact C-SG 3.6Å; L452-C482 PolarHBondContact O-SG 2.8Å; L452-C482 VanDerWaalsContact O-SG 3.34Å | ||
| 453 | T | 85.1 | Confident | 75.6 | Confident | 80 Ų | 80 | 70 Ų | 70 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | trans | -111.6 | 165.8 | 170.5 | 55 | 0 | 0 | 0 | 0 | 108.8 | A451 R478 | A451-T453 PolarHBondContact O-N 3.46Å; T453-R478 VanDerWaalsContact N-NH1 3.14Å; T453-R478 WeakPolarHBondContact O-CD 3.24Å; T453-R478 VanDerWaalsContact O-CG 3.27Å; T453-R478 WeakPolarHBondContact O-CG 3.49Å; T453-R478 PolarHBondContact O-NH1 3.03Å; T453-R478 PolarHBondContact OG1-NH1 2.81Å | ||
| 454 | K | 90.9 | Very high | 77 | Confident | 115 Ų | 115 | 70.6 Ų | 70.6 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -48.8 | 142.6 | 170.7 | -74.5 | -175.1 | 176.2 | -168.1 | 0 | 111.1 | T456 C482 G483 | K454-T456 PolarHBondContact O-N 3.24Å; K454-C482 HydrophobicContact CG-CB 4.49Å; K454-C482 VanDerWaalsContact CG-O 3.29Å; K454-C482 WeakPolarHBondContact CG-O 3.35Å; K454-G483 WeakPolarHBondContact CA-O 3.36Å |
| 455 | L | 92.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 119.2 | 174.3 | -177.9 | 66.1 | 0 | 0 | 0 | 109.3 | Q459 W460 M463 A475 R478 I479 G483 C484 E485 I488 | L455-Q459 HydrophobicContact CD1-CB 3.81Å; L455-W460 HydrophobicContact CD2-CE3 3.82Å; L455-W460 HydrophobicContact CD2-CZ3 4.43Å; L455-M463 HydrophobicContact CD1-SD 4.34Å; L455-A475 HydrophobicContact CD2-CB 4.48Å; L455-R478 HydrophobicContact CB-CG 4.11Å; L455-I479 HydrophobicContact CD2-CD1 3.97Å; L455-I479 HydrophobicContact CD2-CG1 3.92Å; L455-G483 PolarHBondContact N-O 3.28Å; L455-G483 VanDerWaalsContact N-O 3.12Å; L455-C484 HydrophobicContact CB-CB 4.21Å; L455-E485 WeakPolarHBondContact O-CB 3.25Å; L455-E485 PolarHBondContact O-N 3.26Å; L455-I488 HydrophobicContact CB-CD1 4.33Å; L455-I488 HydrophobicContact CD2-CD1 4.13Å; L455-I488 HydrophobicContact CG-CD1 3.91Å; L455-I488 VanDerWaalsContact O-CD1 3.28Å; L455-I488 WeakPolarHBondContact O-CD1 3.28Å |
| 456 | T | 93.8 | Very high | 80 | Confident | 46 Ų | 46 | 70 Ų | 70 | 28% | 0.282 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 161.3 | -177.2 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | K454 D458 Q459 W460 | K454-T456 PolarHBondContact O-N 3.24Å; T456-D458 VanDerWaalsContact C-N 3.33Å; T456-D458 PolarHBondContact O-N 3.33Å; T456-Q459 PolarHBondContact O-N 3.1Å; T456-Q459 WeakPolarHBondContact OG1-CB 3.27Å; T456-Q459 WeakPolarHBondContact OG1-CG 2.97Å; T456-Q459 PolarHBondContact OG1-OE1 3.07Å; T456-Q459 VanDerWaalsContact OG1-OE1 3.1Å; T456-W460 PolarHBondContact O-N 3.37Å |
| 457 | A | 90.5 | Very high | 81.6 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 26% | 0.256 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | W460 T461 E485 I488 | A457-W460 PolarHBondContact O-N 3.17Å; A457-T461 WeakPolarHBondContact O-CB 3.38Å; A457-T461 PolarHBondContact O-N 3.33Å; A457-T461 PolarHBondContact O-OG1 2.83Å; A457-E485 PolarHBondContact N-OE2 2.95Å; A457-I488 VanDerWaalsContact CA-CG2 3.48Å; A457-I488 HydrophobicContact CB-CG2 3.61Å |
| 458 | D | 93.1 | Very high | 83.2 | Confident | 135 Ų | 135 | 73 Ų | 73 | 72% | 0.722 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.1 | -42.1 | 179.6 | -65.8 | -29.1 | 0 | 0 | 0 | 111.7 | T456 T461 S462 | T456-D458 VanDerWaalsContact C-N 3.33Å; T456-D458 PolarHBondContact O-N 3.33Å; D458-T461 PolarHBondContact O-N 3.43Å; D458-S462 WeakPolarHBondContact O-CB 3.43Å; D458-S462 PolarHBondContact O-N 3.31Å |
| 459 | Q | 92 | Very high | 84.8 | Confident | 60 Ų | 60 | 75.4 Ų | 75.4 | 28% | 0.28 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 177 | -73.8 | 171.5 | -20.2 | 0 | 0 | 111.3 | L455 T456 S462 M463 | L455-Q459 HydrophobicContact CD1-CB 3.81Å; T456-Q459 PolarHBondContact O-N 3.1Å; T456-Q459 WeakPolarHBondContact OG1-CB 3.27Å; T456-Q459 WeakPolarHBondContact OG1-CG 2.97Å; T456-Q459 PolarHBondContact OG1-OE1 3.07Å; T456-Q459 VanDerWaalsContact OG1-OE1 3.1Å; Q459-S462 PolarHBondContact O-N 2.89Å; Q459-M463 WeakPolarHBondContact O-CB 3.34Å; Q459-M463 VanDerWaalsContact O-CG 3.26Å; Q459-M463 WeakPolarHBondContact O-CG 3.07Å; Q459-M463 PolarHBondContact O-N 3.3Å |
| 460 | W | 92.9 | Very high | 86.4 | Confident | 15 Ų | 15 | 71 Ų | 71 | 6% | 0.057 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.5 | -50 | 177.2 | 176.3 | -108.9 | 0 | 0 | 0 | 111.3 | L455 T456 A457 S462 M463 R464 A475 I488 V492 F495 W502 | L455-W460 HydrophobicContact CD2-CE3 3.82Å; L455-W460 HydrophobicContact CD2-CZ3 4.43Å; T456-W460 PolarHBondContact O-N 3.37Å; A457-W460 PolarHBondContact O-N 3.17Å; W460-S462 VanDerWaalsContact C-N 3.33Å; W460-S462 PolarHBondContact O-N 2.9Å; W460-M463 PolarHBondContact O-N 3.4Å; W460-R464 HydrophobicContact CD2-CG 3.88Å; W460-R464 HydrophobicContact CE3-CG 4.35Å; W460-R464 HydrophobicContact CG-CG 4.31Å; W460-R464 HydrophobicContact CH2-CG 4.44Å; W460-R464 HydrophobicContact CZ2-CG 3.92Å; W460-R464 WeakPolarHBondContact O-CB 3.28Å; W460-R464 VanDerWaalsContact O-CG 3.26Å; W460-R464 WeakPolarHBondContact O-CG 3.08Å; W460-R464 PolarHBondContact O-N 2.89Å; W460-A475 HydrophobicContact CZ3-CB 4.41Å; W460-I488 HydrophobicContact CB-CD1 3.95Å; W460-I488 HydrophobicContact CG-CD1 4.37Å; W460-V492 HydrophobicContact CD2-CG2 3.75Å; W460-V492 HydrophobicContact CE3-CG2 3.88Å; W460-V492 HydrophobicContact CG-CG2 4.34Å; W460-V492 HydrophobicContact CH2-CB 4.42Å; W460-V492 HydrophobicContact CH2-CG2 3.96Å; W460-V492 HydrophobicContact CZ2-CB 4.47Å; W460-V492 HydrophobicContact CZ2-CG2 3.88Å; W460-V492 HydrophobicContact CZ3-CG2 3.95Å; W460-F495 HydrophobicContact CH2-CB 4.17Å; W460-F495 AromaticContact CH2-CD1 3.75Å; W460-F495 HydrophobicContact CH2-CD1 3.75Å; W460-F495 HydrophobicContact CH2-CG 4.13Å; W460-F495 HydrophobicContact CZ3-CD1 4.28Å; W460-W502 HydrophobicContact CE3-CZ3 4.44Å; W460-W502 AromaticContact CH2-CZ3 3.93Å; W460-W502 HydrophobicContact CH2-CZ3 3.93Å; W460-W502 HydrophobicContact CZ3-CH2 4.33Å; W460-W502 AromaticContact CZ3-CZ3 3.67Å; W460-W502 HydrophobicContact CZ3-CZ3 3.67Å |
| 461 | T | 90.9 | Very high | 88 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 56% | 0.558 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | -179.8 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | A457 D458 R464 S465 | A457-T461 WeakPolarHBondContact O-CB 3.38Å; A457-T461 PolarHBondContact O-N 3.33Å; A457-T461 PolarHBondContact O-OG1 2.83Å; D458-T461 PolarHBondContact O-N 3.43Å; T461-R464 PolarHBondContact O-N 3.46Å; T461-S465 WeakPolarHBondContact O-CB 3.18Å; T461-S465 PolarHBondContact O-N 3.49Å |
| 462 | S | 93.1 | Very high | 89.4 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 176 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | D458 Q459 W460 S465 R466 | D458-S462 WeakPolarHBondContact O-CB 3.43Å; D458-S462 PolarHBondContact O-N 3.31Å; Q459-S462 PolarHBondContact O-N 2.89Å; W460-S462 VanDerWaalsContact C-N 3.33Å; W460-S462 PolarHBondContact O-N 2.9Å; S462-S465 PolarHBondContact O-N 3.25Å; S462-S465 PolarHBondContact O-OG 2.67Å; S462-R466 PolarHBondContact O-NH1 2.82Å; S462-R466 PolarHBondContact OG-NH1 3.48Å |
| 463 | M | 92 | Very high | 90.2 | Very high | 21 Ų | 21 | 67.2 Ų | 67.2 | 10% | 0.103 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 177.8 | -72.2 | 175.5 | 178.9 | 0 | 0 | 112.1 | L455 Q459 W460 S465 R466 L467 D471 K474 A475 W502 | L455-M463 HydrophobicContact CD1-SD 4.34Å; Q459-M463 WeakPolarHBondContact O-CB 3.34Å; Q459-M463 VanDerWaalsContact O-CG 3.26Å; Q459-M463 WeakPolarHBondContact O-CG 3.07Å; Q459-M463 PolarHBondContact O-N 3.3Å; W460-M463 PolarHBondContact O-N 3.4Å; M463-S465 VanDerWaalsContact C-N 3.31Å; M463-S465 PolarHBondContact O-N 3.32Å; M463-R466 PolarHBondContact O-N 2.93Å; M463-L467 PolarHBondContact O-N 3.3Å; M463-D471 HydrophobicContact CB-CB 3.97Å; M463-D471 HydrophobicContact CG-CB 3.99Å; M463-K474 HydrophobicContact CE-CB 4.35Å; M463-A475 HydrophobicContact SD-CB 4.07Å; M463-W502 HydrophobicContact CB-CH2 3.99Å; M463-W502 HydrophobicContact CB-CZ2 4.23Å |
| 464 | R | 89.2 | Confident | 90.3 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.6 | -30.8 | 177.4 | -73.1 | -64.3 | -58.2 | 148 | 2.7 | 113 | W460 T461 R466 L467 W502 D504 | W460-R464 HydrophobicContact CD2-CG 3.88Å; W460-R464 HydrophobicContact CE3-CG 4.35Å; W460-R464 HydrophobicContact CG-CG 4.31Å; W460-R464 HydrophobicContact CH2-CG 4.44Å; W460-R464 HydrophobicContact CZ2-CG 3.92Å; W460-R464 WeakPolarHBondContact O-CB 3.28Å; W460-R464 VanDerWaalsContact O-CG 3.26Å; W460-R464 WeakPolarHBondContact O-CG 3.08Å; W460-R464 PolarHBondContact O-N 2.89Å; T461-R464 PolarHBondContact O-N 3.46Å; R464-R466 VanDerWaalsContact C-N 3.29Å; R464-R466 PolarHBondContact O-N 3.14Å; R464-L467 VanDerWaalsContact NH1-CD2 3.26Å; R464-L467 WeakPolarHBondContact O-CD2 3.39Å; R464-L467 WeakPolarHBondContact O-CG 3.4Å; R464-W502 HydrophobicContact CG-CH2 4.49Å; R464-W502 PolarHBondContact NH1-O 3.08Å; R464-D504 PolarHBondContact NH2-O 3.04Å |
| 465 | S | 89.7 | Confident | 90.3 | Very high | 94 Ų | 94 | 64 Ų | 64 | 66% | 0.657 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68 | -27.1 | 175.5 | 74.5 | 0 | 0 | 0 | 0 | 113.5 | T461 S462 M463 | T461-S465 WeakPolarHBondContact O-CB 3.18Å; T461-S465 PolarHBondContact O-N 3.49Å; S462-S465 PolarHBondContact O-N 3.25Å; S462-S465 PolarHBondContact O-OG 2.67Å; M463-S465 VanDerWaalsContact C-N 3.31Å; M463-S465 PolarHBondContact O-N 3.32Å |
| 466 | R | 89.8 | Confident | 90.2 | Very high | 107 Ų | 107 | 64.3 Ų | 64.3 | 40% | 0.404 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -91.2 | -26.7 | -178.5 | -67.2 | -171.3 | -64 | -86.6 | 1.6 | 113.9 | S462 M463 R464 Q468 D471 | S462-R466 PolarHBondContact O-NH1 2.82Å; S462-R466 PolarHBondContact OG-NH1 3.48Å; M463-R466 PolarHBondContact O-N 2.93Å; R464-R466 VanDerWaalsContact C-N 3.29Å; R464-R466 PolarHBondContact O-N 3.14Å; R466-Q468 HydrophobicContact CB-CG 4.22Å; R466-Q468 PolarHBondContact O-N 2.61Å; R466-Q468 VanDerWaalsContact O-N 3.16Å; R466-D471 IonicContact CZ-OD1 3.56Å; R466-D471 IonicContact CZ-OD2 3.16Å; R466-D471 IonicContact NE-OD1 3.65Å; R466-D471 IonicContact NE-OD2 2.83Å; R466-D471 PolarHBondContact NE-OD2 3.43Å; R466-D471 VanDerWaalsContact NH2-CG 3.3Å; R466-D471 IonicContact NH2-OD1 2.82Å; R466-D471 PolarHBondContact NH2-OD1 3Å; R466-D471 IonicContact NH2-OD2 2.89Å; R466-D471 PolarHBondContact NH2-OD2 3.09Å; R466-D471 VanDerWaalsContact NH2-OD2 3.11Å |
| 467 | L | 88.1 | Confident | 89.9 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 33.1 | -179 | -58.8 | 175.1 | 0 | 0 | 0 | 114.2 | M463 R464 W502 T505 | M463-L467 PolarHBondContact O-N 3.3Å; R464-L467 VanDerWaalsContact NH1-CD2 3.26Å; R464-L467 WeakPolarHBondContact O-CD2 3.39Å; R464-L467 WeakPolarHBondContact O-CG 3.4Å; L467-W502 WeakPolarHBondContact CD2-O 3.4Å; L467-T505 HydrophobicContact CD1-CG2 4.23Å |
| 468 | Q | 90.1 | Very high | 89.9 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | trans | -85.1 | 142.1 | 178.1 | -65.4 | -165.7 | -4.3 | 0 | 0 | 111.8 | R466 S470 D471 E472 W502 | R466-Q468 HydrophobicContact CB-CG 4.22Å; R466-Q468 PolarHBondContact O-N 2.61Å; R466-Q468 VanDerWaalsContact O-N 3.16Å; Q468-S470 PolarHBondContact O-N 2.86Å; Q468-S470 PolarHBondContact OE1-OG 3.12Å; Q468-D471 HydrophobicContact CB-CB 4.44Å; Q468-D471 WeakPolarHBondContact O-CB 3.37Å; Q468-D471 PolarHBondContact O-N 3.45Å; Q468-D471 VanDerWaalsContact O-N 3.1Å; Q468-E472 PolarHBondContact O-N 3.08Å; Q468-E472 VanDerWaalsContact O-N 3.16Å; Q468-W502 PolarHBondContact O-NE1 2.94Å | ||
| 469 | E | 87.1 | Confident | 89.9 | Confident | 115 Ų | 115 | 56 Ų | 56 | 54% | 0.537 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -30 | 175.6 | -167.8 | -171.6 | 155.8 | 0 | 0 | 112.2 | D471 E472 R473 | E469-D471 VanDerWaalsContact C-N 3.34Å; E469-E472 WeakPolarHBondContact O-CB 3.47Å; E469-E472 PolarHBondContact O-N 3.28Å; E469-R473 PolarHBondContact O-N 3.33Å; E469-R473 IonicContact OE1-CZ 3.49Å; E469-R473 IonicContact OE1-NE 3.56Å; E469-R473 IonicContact OE1-NH2 3.64Å; E469-R473 PolarHBondContact OE1-NH2 2.94Å |
| 470 | S | 85.9 | Confident | 90 | Very high | 53 Ų | 53 | 53.1 Ų | 53.1 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66 | -36.6 | 174.6 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | Q468 K474 | Q468-S470 PolarHBondContact O-N 2.86Å; Q468-S470 PolarHBondContact OE1-OG 3.12Å; S470-K474 VanDerWaalsContact O-CG 3.28Å; S470-K474 WeakPolarHBondContact O-CG 3.4Å; S470-K474 PolarHBondContact O-N 2.89Å |
| 471 | D | 88.9 | Confident | 89.8 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.2 | -36.5 | 175.8 | -75.8 | -42.4 | 0 | 0 | 0 | 111 | M463 R466 Q468 E469 K474 A475 W502 | M463-D471 HydrophobicContact CB-CB 3.97Å; M463-D471 HydrophobicContact CG-CB 3.99Å; R466-D471 IonicContact CZ-OD1 3.56Å; R466-D471 IonicContact CZ-OD2 3.16Å; R466-D471 IonicContact NE-OD1 3.65Å; R466-D471 IonicContact NE-OD2 2.83Å; R466-D471 PolarHBondContact NE-OD2 3.43Å; R466-D471 VanDerWaalsContact NH2-CG 3.3Å; R466-D471 IonicContact NH2-OD1 2.82Å; R466-D471 PolarHBondContact NH2-OD1 3Å; R466-D471 IonicContact NH2-OD2 2.89Å; R466-D471 PolarHBondContact NH2-OD2 3.09Å; R466-D471 VanDerWaalsContact NH2-OD2 3.11Å; Q468-D471 HydrophobicContact CB-CB 4.44Å; Q468-D471 WeakPolarHBondContact O-CB 3.37Å; Q468-D471 PolarHBondContact O-N 3.45Å; Q468-D471 VanDerWaalsContact O-N 3.1Å; E469-D471 VanDerWaalsContact C-N 3.34Å; D471-K474 PolarHBondContact O-N 3.3Å; D471-A475 WeakPolarHBondContact O-CB 3.34Å; D471-A475 PolarHBondContact O-N 2.94Å; D471-W502 HydrophobicContact CB-CZ2 3.82Å |
| 472 | E | 91 | Very high | 89.8 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.6 | -52.6 | 173.6 | -171.7 | 179.3 | -174.2 | 0 | 0 | 111.2 | Q468 E469 K474 A475 L476 F495 W502 | Q468-E472 PolarHBondContact O-N 3.08Å; Q468-E472 VanDerWaalsContact O-N 3.16Å; E469-E472 WeakPolarHBondContact O-CB 3.47Å; E469-E472 PolarHBondContact O-N 3.28Å; E472-K474 VanDerWaalsContact C-N 3.31Å; E472-K474 PolarHBondContact O-N 2.78Å; E472-A475 PolarHBondContact O-N 2.86Å; E472-L476 HydrophobicContact CG-CD1 4.14Å; E472-L476 WeakPolarHBondContact O-CG 3.18Å; E472-L476 PolarHBondContact O-N 3.45Å; E472-F495 HydrophobicContact CG-CE2 4.38Å; E472-F495 HydrophobicContact CG-CZ 3.76Å; E472-W502 HydrophobicContact CB-CB 4.38Å; E472-W502 HydrophobicContact CB-CD2 3.62Å; E472-W502 HydrophobicContact CB-CE3 4.2Å; E472-W502 HydrophobicContact CB-CG 3.69Å; E472-W502 HydrophobicContact CB-CZ2 4.3Å; E472-W502 HydrophobicContact CG-CB 3.88Å; E472-W502 HydrophobicContact CG-CD2 3.75Å; E472-W502 HydrophobicContact CG-CE3 4.02Å; E472-W502 HydrophobicContact CG-CG 3.68Å; E472-W502 WeakPolarHBondContact OE1-CB 3.47Å |
| 473 | R | 87.1 | Confident | 89.8 | Confident | 152 Ų | 152 | 49.7 Ų | 49.7 | 57% | 0.574 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.2 | -41.5 | 179.4 | -69.2 | 178.9 | -178.2 | 167.4 | 3 | 111.7 | E469 H477 | E469-R473 PolarHBondContact O-N 3.33Å; E469-R473 IonicContact OE1-CZ 3.49Å; E469-R473 IonicContact OE1-NE 3.56Å; E469-R473 IonicContact OE1-NH2 3.64Å; E469-R473 PolarHBondContact OE1-NH2 2.94Å; R473-H477 WeakPolarHBondContact O-CB 3.31Å; R473-H477 PolarHBondContact O-N 3.35Å |
| 474 | K | 87.1 | Confident | 89.9 | Confident | 126 Ų | 126 | 48.7 Ų | 48.7 | 55% | 0.548 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 176.3 | -73.9 | 174.2 | -177 | -178.3 | 0 | 112.2 | M463 S470 D471 E472 R478 | M463-K474 HydrophobicContact CE-CB 4.35Å; S470-K474 VanDerWaalsContact O-CG 3.28Å; S470-K474 WeakPolarHBondContact O-CG 3.4Å; S470-K474 PolarHBondContact O-N 2.89Å; D471-K474 PolarHBondContact O-N 3.3Å; E472-K474 VanDerWaalsContact C-N 3.31Å; E472-K474 PolarHBondContact O-N 2.78Å; K474-R478 WeakPolarHBondContact O-CB 3.42Å; K474-R478 PolarHBondContact O-N 3.27Å |
| 475 | A | 90.8 | Very high | 90 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -50.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L455 W460 M463 D471 E472 H477 R478 I479 W502 | L455-A475 HydrophobicContact CD2-CB 4.48Å; W460-A475 HydrophobicContact CZ3-CB 4.41Å; M463-A475 HydrophobicContact SD-CB 4.07Å; D471-A475 WeakPolarHBondContact O-CB 3.34Å; D471-A475 PolarHBondContact O-N 2.94Å; E472-A475 PolarHBondContact O-N 2.86Å; A475-H477 VanDerWaalsContact C-N 3.3Å; A475-H477 PolarHBondContact O-N 3.44Å; A475-R478 PolarHBondContact O-N 3.33Å; A475-I479 WeakPolarHBondContact O-CD1 3.4Å; A475-I479 VanDerWaalsContact O-CG1 3.26Å; A475-I479 WeakPolarHBondContact O-CG1 3.48Å; A475-I479 PolarHBondContact O-N 3.03Å; A475-W502 HydrophobicContact CB-CH2 4.25Å; A475-W502 HydrophobicContact CB-CZ3 4.34Å |
| 476 | L | 91.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.2 | -45.1 | 176.9 | -72.2 | 173.5 | 0 | 0 | 0 | 111.7 | E472 I479 Y480 F495 L496 S823 K826 | E472-L476 HydrophobicContact CG-CD1 4.14Å; E472-L476 WeakPolarHBondContact O-CG 3.18Å; E472-L476 PolarHBondContact O-N 3.45Å; L476-I479 PolarHBondContact O-N 3.34Å; L476-Y480 WeakPolarHBondContact O-CB 3.5Å; L476-Y480 PolarHBondContact O-N 3.14Å; L476-F495 HydrophobicContact CD2-CE1 3.72Å; L476-F495 HydrophobicContact CD2-CZ 4.04Å; L476-F495 HydrophobicContact CG-CE1 4.18Å; L476-F495 HydrophobicContact CG-CZ 4.26Å; L476-L496 HydrophobicContact CD2-CD2 3.61Å; L476-S823 WeakPolarHBondContact O-CB 3.23Å; L476-K826 HydrophobicContact CD1-CB 3.96Å; L476-K826 HydrophobicContact CD1-CG 4.35Å; L476-K826 HydrophobicContact CD2-CB 4.28Å; L476-K826 HydrophobicContact CD2-CG 3.94Å |
| 477 | H | 87.9 | Confident | 90 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 177 | 173.2 | -117.7 | 0 | 0 | 0 | 112.8 | I446 Y447 R473 A475 I479 Y480 V481 | I446-H477 HydrophobicContact CG2-CB 3.94Å; I446-H477 WeakPolarHBondContact CG2-CD2 3.38Å; I446-H477 VanDerWaalsContact CG2-NE2 3.27Å; I446-H477 WeakPolarHBondContact CG2-NE2 3.43Å; I446-H477 PolarHBondContact O-CE1 3.08Å; I446-H477 PolarHBondContact O-ND1 2.98Å; I446-H477 PolarHBondContact O-NE2 3.31Å; Y447-H477 AromaticContact CD1-NE2 3.75Å; Y447-H477 AromaticContact CE1-NE2 3.66Å; R473-H477 WeakPolarHBondContact O-CB 3.31Å; R473-H477 PolarHBondContact O-N 3.35Å; A475-H477 VanDerWaalsContact C-N 3.3Å; A475-H477 PolarHBondContact O-N 3.44Å; H477-I479 VanDerWaalsContact C-N 3.29Å; H477-I479 PolarHBondContact O-N 3.35Å; H477-Y480 WeakPolarHBondContact O-CB 3.39Å; H477-Y480 PolarHBondContact O-N 3.37Å; H477-Y480 VanDerWaalsContact O-N 3.14Å; H477-V481 WeakPolarHBondContact NE2-CG2 3.16Å; H477-V481 WeakPolarHBondContact O-CG2 3.36Å; H477-V481 PolarHBondContact O-N 3.31Å |
| 478 | R | 89.9 | Confident | 90.1 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 9% | 0.087 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | -179.9 | -174.7 | 172 | -72.9 | -101.1 | 2.8 | 111.5 | E450 L452 T453 L455 K474 A475 V481 C482 G483 | E450-R478 IonicContact OE2-NH2 2.71Å; L452-R478 HydrophobicContact CD2-CB 4.12Å; L452-R478 HydrophobicContact CD2-CG 4.17Å; T453-R478 VanDerWaalsContact N-NH1 3.14Å; T453-R478 WeakPolarHBondContact O-CD 3.24Å; T453-R478 VanDerWaalsContact O-CG 3.27Å; T453-R478 WeakPolarHBondContact O-CG 3.49Å; T453-R478 PolarHBondContact O-NH1 3.03Å; T453-R478 PolarHBondContact OG1-NH1 2.81Å; L455-R478 HydrophobicContact CB-CG 4.11Å; K474-R478 WeakPolarHBondContact O-CB 3.42Å; K474-R478 PolarHBondContact O-N 3.27Å; A475-R478 PolarHBondContact O-N 3.33Å; R478-V481 PolarHBondContact O-N 3.24Å; R478-C482 PolarHBondContact O-N 2.78Å; R478-G483 PolarHBondContact O-N 2.73Å |
| 479 | I | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.3 | -65 | 163.8 | 0 | 0 | 0 | 110.4 | L455 A475 L476 H477 V481 G483 C484 V492 L496 E819 | L455-I479 HydrophobicContact CD2-CD1 3.97Å; L455-I479 HydrophobicContact CD2-CG1 3.92Å; A475-I479 WeakPolarHBondContact O-CD1 3.4Å; A475-I479 VanDerWaalsContact O-CG1 3.26Å; A475-I479 WeakPolarHBondContact O-CG1 3.48Å; A475-I479 PolarHBondContact O-N 3.03Å; L476-I479 PolarHBondContact O-N 3.34Å; H477-I479 VanDerWaalsContact C-N 3.29Å; H477-I479 PolarHBondContact O-N 3.35Å; I479-V481 PolarHBondContact O-N 2.82Å; I479-G483 WeakPolarHBondContact O-CA 3.27Å; I479-G483 PolarHBondContact O-N 3.42Å; I479-C484 HydrophobicContact CG1-CB 4.36Å; I479-V492 HydrophobicContact CD1-CG1 3.54Å; I479-V492 HydrophobicContact CG1-CG1 4.5Å; I479-L496 HydrophobicContact CD1-CD1 4.45Å; I479-L496 HydrophobicContact CD1-CD2 4.19Å; I479-L496 HydrophobicContact CG2-CD1 4.06Å; I479-E819 HydrophobicContact CG2-CB 3.89Å |
| 480 | Y | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 178.4 | 173.6 | -103.6 | 0 | 0 | 0 | 114 | Y447 L476 H477 T820 S823 A824 L828 F832 R879 | Y447-Y480 HydrophobicContact CE1-CE1 4.28Å; Y447-Y480 WeakPolarHBondContact OH-CE1 3.29Å; L476-Y480 WeakPolarHBondContact O-CB 3.5Å; L476-Y480 PolarHBondContact O-N 3.14Å; H477-Y480 WeakPolarHBondContact O-CB 3.39Å; H477-Y480 PolarHBondContact O-N 3.37Å; H477-Y480 VanDerWaalsContact O-N 3.14Å; Y480-T820 HydrophobicContact CD2-CG2 3.72Å; Y480-T820 HydrophobicContact CE2-CG2 3.89Å; Y480-S823 VanDerWaalsContact CA-OG 3.24Å; Y480-S823 WeakPolarHBondContact CA-OG 3.35Å; Y480-S823 WeakPolarHBondContact CB-OG 3.43Å; Y480-S823 PolarHBondContact N-OG 3.48Å; Y480-A824 HydrophobicContact CD2-CB 3.66Å; Y480-A824 HydrophobicContact CE2-CB 3.59Å; Y480-L828 HydrophobicContact CD1-CD1 3.83Å; Y480-L828 HydrophobicContact CD2-CD1 3.94Å; Y480-L828 HydrophobicContact CE1-CD1 3.66Å; Y480-L828 HydrophobicContact CE2-CD1 3.74Å; Y480-L828 HydrophobicContact CG-CD1 3.94Å; Y480-F832 HydrophobicContact CE2-CD1 4.36Å; Y480-F832 HydrophobicContact CE2-CD2 4.24Å; Y480-F832 AromaticContact CE2-CE1 3.85Å; Y480-F832 HydrophobicContact CE2-CE1 3.85Å; Y480-F832 AromaticContact CE2-CE2 3.71Å; Y480-F832 HydrophobicContact CE2-CE2 3.71Å; Y480-F832 AromaticContact CE2-CZ 3.5Å; Y480-F832 HydrophobicContact CE2-CZ 3.5Å; Y480-F832 VanDerWaalsContact CE2-CZ 3.5Å; Y480-F832 AromaticContact CZ-CE2 3.92Å; Y480-F832 AromaticContact CZ-CZ 3.8Å; Y480-F832 WeakPolarHBondContact OH-CE2 3.18Å; Y480-F832 VanDerWaalsContact OH-CZ 3.28Å; Y480-F832 WeakPolarHBondContact OH-CZ 3.34Å; Y480-R879 HydrophobicContact CE1-CG 3.88Å; Y480-R879 HydrophobicContact CE2-CG 4.35Å; Y480-R879 PolarHBondContact O-NH1 3.01Å; Y480-R879 WeakPolarHBondContact OH-CG 3.27Å |
| 481 | V | 89.4 | Confident | 90.4 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -85.4 | -45.8 | -176.6 | -179.3 | 0 | 0 | 0 | 0 | 112 | Y447 H477 R478 I479 R879 | Y447-V481 HydrophobicContact CD1-CG2 4.31Å; Y447-V481 HydrophobicContact CE1-CG2 3.83Å; H477-V481 WeakPolarHBondContact NE2-CG2 3.16Å; H477-V481 WeakPolarHBondContact O-CG2 3.36Å; H477-V481 PolarHBondContact O-N 3.31Å; R478-V481 PolarHBondContact O-N 3.24Å; I479-V481 PolarHBondContact O-N 2.82Å; V481-R879 PolarHBondContact O-NH1 3.4Å |
| 482 | C | 90.3 | Very high | 90.7 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -118.4 | -14.6 | -168.4 | -62.6 | 0 | 0 | 0 | 0 | 114.5 | L452 K454 R478 | L452-C482 VanDerWaalsContact C-SG 3.6Å; L452-C482 PolarHBondContact O-SG 2.8Å; L452-C482 VanDerWaalsContact O-SG 3.34Å; K454-C482 HydrophobicContact CG-CB 4.49Å; K454-C482 VanDerWaalsContact CG-O 3.29Å; K454-C482 WeakPolarHBondContact CG-O 3.35Å; R478-C482 PolarHBondContact O-N 2.78Å |
| 483 | G | 93.2 | Very high | 90.9 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 7% | 0.072 | 19% | 0.185 | C | C | . | . | trans | 77.2 | -176.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K454 L455 R478 I479 E819 | K454-G483 WeakPolarHBondContact CA-O 3.36Å; L455-G483 PolarHBondContact N-O 3.28Å; L455-G483 VanDerWaalsContact N-O 3.12Å; R478-G483 PolarHBondContact O-N 2.73Å; I479-G483 WeakPolarHBondContact O-CA 3.27Å; I479-G483 PolarHBondContact O-N 3.42Å; G483-E819 WeakPolarHBondContact CA-OE2 3.35Å | ||
| 484 | C | 93.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -112.8 | 163 | 175.8 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | L455 I479 I488 E819 | L455-C484 HydrophobicContact CB-CB 4.21Å; I479-C484 HydrophobicContact CG1-CB 4.36Å; C484-I488 HydrophobicContact CB-CD1 3.99Å; C484-I488 HydrophobicContact CB-CG1 4.05Å; C484-E819 PolarHBondContact N-OE2 3.48Å; C484-E819 PolarHBondContact SG-OE1 3.46Å; C484-E819 PolarHBondContact SG-OE2 3.35Å; C484-E819 VanDerWaalsContact SG-OE2 3.32Å |
| 485 | E | 92.8 | Very high | 91.6 | Very high | 73 Ų | 73 | 24.9 Ų | 24.9 | 34% | 0.341 | 13% | 0.134 | S | C | . | . | trans | -67.6 | 139.8 | 172.8 | -166.4 | -174.8 | 152.1 | 0 | 0 | 110.6 | L455 A457 S487 I488 | L455-E485 WeakPolarHBondContact O-CB 3.25Å; L455-E485 PolarHBondContact O-N 3.26Å; A457-E485 PolarHBondContact N-OE2 2.95Å; E485-S487 WeakPolarHBondContact CG-OG 3.35Å; E485-S487 PolarHBondContact O-N 2.9Å; E485-S487 VanDerWaalsContact O-N 3.12Å; E485-S487 PolarHBondContact OE1-OG 2.93Å; E485-I488 HydrophobicContact CB-CG1 4.23Å; E485-I488 WeakPolarHBondContact O-CG1 3.16Å; E485-I488 PolarHBondContact O-N 3.48Å | ||
| 486 | P | 90.9 | Very high | 91.9 | Very high | 66 Ų | 66 | 25.1 Ų | 25.1 | 43% | 0.429 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -52.8 | -36.6 | -179.8 | -29.5 | 36.3 | 0 | 0 | 0 | 114 | I488 R489 | P486-I488 PolarHBondContact O-N 3.27Å; P486-R489 PolarHBondContact O-N 3.41Å |
| 487 | S | 87.8 | Confident | 92.2 | Very high | 62 Ų | 62 | 25.3 Ų | 25.3 | 43% | 0.434 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -60.9 | -26.2 | -179.4 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | E485 | E485-S487 WeakPolarHBondContact CG-OG 3.35Å; E485-S487 PolarHBondContact O-N 2.9Å; E485-S487 VanDerWaalsContact O-N 3.12Å; E485-S487 PolarHBondContact OE1-OG 2.93Å |
| 488 | I | 90.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -102.7 | -7 | -179.9 | 61.5 | 172.1 | 0 | 0 | 0 | 115.1 | L455 A457 W460 C484 E485 P486 Y491 V492 | L455-I488 HydrophobicContact CB-CD1 4.33Å; L455-I488 HydrophobicContact CD2-CD1 4.13Å; L455-I488 HydrophobicContact CG-CD1 3.91Å; L455-I488 VanDerWaalsContact O-CD1 3.28Å; L455-I488 WeakPolarHBondContact O-CD1 3.28Å; A457-I488 VanDerWaalsContact CA-CG2 3.48Å; A457-I488 HydrophobicContact CB-CG2 3.61Å; W460-I488 HydrophobicContact CB-CD1 3.95Å; W460-I488 HydrophobicContact CG-CD1 4.37Å; C484-I488 HydrophobicContact CB-CD1 3.99Å; C484-I488 HydrophobicContact CB-CG1 4.05Å; E485-I488 HydrophobicContact CB-CG1 4.23Å; E485-I488 WeakPolarHBondContact O-CG1 3.16Å; E485-I488 PolarHBondContact O-N 3.48Å; P486-I488 PolarHBondContact O-N 3.27Å; I488-Y491 PolarHBondContact O-N 2.87Å; I488-V492 HydrophobicContact CB-CG2 4.08Å; I488-V492 HydrophobicContact CD1-CG2 3.84Å; I488-V492 HydrophobicContact CG1-CG2 3.93Å; I488-V492 WeakPolarHBondContact O-CG2 3.49Å; I488-V492 PolarHBondContact O-N 3.41Å |
| 489 | R | 93.1 | Very high | 92.7 | Very high | 13 Ų | 13 | 28.5 Ų | 28.5 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -50.3 | -40.7 | 175.2 | -67 | 179.8 | -179 | 139.8 | -2.5 | 112.6 | P486 Y491 V492 W493 T717 E812 F815 E819 | P486-R489 PolarHBondContact O-N 3.41Å; R489-Y491 PolarHBondContact O-N 3.05Å; R489-V492 PolarHBondContact O-N 2.88Å; R489-W493 HydrophobicContact CB-CD2 4.4Å; R489-W493 HydrophobicContact CB-CG 4.36Å; R489-W493 VanDerWaalsContact O-CB 3.32Å; R489-W493 WeakPolarHBondContact O-CB 3.18Å; R489-W493 PolarHBondContact O-N 3.49Å; R489-T717 HydrophobicContact CB-CG2 3.44Å; R489-T717 VanDerWaalsContact CB-CG2 3.44Å; R489-T717 HydrophobicContact CG-CG2 4.35Å; R489-E812 IonicContact CZ-OE2 3.75Å; R489-E812 IonicContact NH1-OE1 3.99Å; R489-E812 IonicContact NH1-OE2 3.1Å; R489-E812 IonicContact NH2-OE2 2.79Å; R489-E812 PolarHBondContact NH2-OE2 3.38Å; R489-E812 VanDerWaalsContact NH2-OE2 3.08Å; R489-F815 VanDerWaalsContact CZ-CD2 3.49Å; R489-E819 WeakPolarHBondContact CD-OE1 3.29Å; R489-E819 WeakPolarHBondContact CG-OE1 3.41Å; R489-E819 IonicContact CZ-OE1 3.75Å; R489-E819 IonicContact NE-OE1 2.67Å; R489-E819 PolarHBondContact NE-OE1 3.2Å |
| 490 | P | 88.4 | Confident | 92.8 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.9 | -25.2 | 176.5 | -29.1 | 38.3 | 0 | 0 | 0 | 115.7 | P494 F718 | P490-P494 WeakPolarHBondContact O-CD 3.35Å; P490-P494 WeakPolarHBondContact O-CG 3.46Å; P490-F718 HydrophobicContact CB-CD1 3.97Å; P490-F718 HydrophobicContact CB-CE1 4.45Å; P490-F718 HydrophobicContact CG-CD1 4.45Å |
| 491 | Y | 88.7 | Confident | 92.8 | Very high | 136 Ų | 136 | 36 Ų | 36 | 53% | 0.533 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -102.9 | -31.1 | -179.4 | -52.4 | -76.3 | 0 | 0 | 0 | 112.6 | I488 R489 | I488-Y491 PolarHBondContact O-N 2.87Å; R489-Y491 PolarHBondContact O-N 3.05Å |
| 492 | V | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -80.4 | -41.7 | -177.8 | 172 | 0 | 0 | 0 | 0 | 111.6 | W460 I479 I488 R489 F495 L496 | W460-V492 HydrophobicContact CD2-CG2 3.75Å; W460-V492 HydrophobicContact CE3-CG2 3.88Å; W460-V492 HydrophobicContact CG-CG2 4.34Å; W460-V492 HydrophobicContact CH2-CB 4.42Å; W460-V492 HydrophobicContact CH2-CG2 3.96Å; W460-V492 HydrophobicContact CZ2-CB 4.47Å; W460-V492 HydrophobicContact CZ2-CG2 3.88Å; W460-V492 HydrophobicContact CZ3-CG2 3.95Å; I479-V492 HydrophobicContact CD1-CG1 3.54Å; I479-V492 HydrophobicContact CG1-CG1 4.5Å; I488-V492 HydrophobicContact CB-CG2 4.08Å; I488-V492 HydrophobicContact CD1-CG2 3.84Å; I488-V492 HydrophobicContact CG1-CG2 3.93Å; I488-V492 WeakPolarHBondContact O-CG2 3.49Å; I488-V492 PolarHBondContact O-N 3.41Å; R489-V492 PolarHBondContact O-N 2.88Å; V492-F495 WeakPolarHBondContact O-CB 3.37Å; V492-F495 PolarHBondContact O-N 3.42Å; V492-F495 VanDerWaalsContact O-N 3.16Å; V492-L496 HydrophobicContact CG1-CD1 3.79Å; V492-L496 HydrophobicContact CG1-CG 3.98Å; V492-L496 WeakPolarHBondContact O-CG 3.36Å; V492-L496 PolarHBondContact O-N 2.87Å |
| 493 | W | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | -175.6 | -74.3 | 18.6 | 0 | 0 | 0 | 113.7 | R489 F495 L496 L497 L714 T717 F718 F815 W818 E819 W822 | R489-W493 HydrophobicContact CB-CD2 4.4Å; R489-W493 HydrophobicContact CB-CG 4.36Å; R489-W493 VanDerWaalsContact O-CB 3.32Å; R489-W493 WeakPolarHBondContact O-CB 3.18Å; R489-W493 PolarHBondContact O-N 3.49Å; W493-F495 PolarHBondContact O-N 3.43Å; W493-L496 PolarHBondContact O-N 3.2Å; W493-L496 VanDerWaalsContact O-N 3.13Å; W493-L497 WeakPolarHBondContact O-CB 3.4Å; W493-L497 PolarHBondContact O-N 3.02Å; W493-L714 HydrophobicContact CE3-CD2 3.68Å; W493-L714 HydrophobicContact CZ3-CD2 3.74Å; W493-T717 HydrophobicContact CD2-CG2 4.13Å; W493-T717 HydrophobicContact CE3-CG2 3.92Å; W493-T717 HydrophobicContact CH2-CG2 4.07Å; W493-T717 WeakPolarHBondContact CH2-OG1 3.38Å; W493-T717 HydrophobicContact CZ2-CG2 4.26Å; W493-T717 HydrophobicContact CZ3-CG2 3.89Å; W493-T717 VanDerWaalsContact CZ3-OG1 3.28Å; W493-T717 WeakPolarHBondContact CZ3-OG1 3.41Å; W493-F718 HydrophobicContact CB-CE1 4.36Å; W493-F718 HydrophobicContact CB-CZ 4.17Å; W493-F718 HydrophobicContact CE3-CZ 4.28Å; W493-F815 HydrophobicContact CH2-CB 4.49Å; W493-F815 AromaticContact CH2-CD1 3.44Å; W493-F815 HydrophobicContact CH2-CD1 3.44Å; W493-F815 VanDerWaalsContact CH2-CD1 3.44Å; W493-F815 AromaticContact CH2-CE1 3.84Å; W493-F815 HydrophobicContact CH2-CE1 3.84Å; W493-F815 HydrophobicContact CH2-CG 4.17Å; W493-F815 HydrophobicContact CZ2-CB 4.01Å; W493-F815 AromaticContact CZ2-CD1 3.84Å; W493-F815 HydrophobicContact CZ2-CD1 3.84Å; W493-F815 HydrophobicContact CZ2-CG 4.12Å; W493-W818 HydrophobicContact CH2-CE3 4.19Å; W493-W818 HydrophobicContact CZ3-CE3 4.32Å; W493-E819 PolarHBondContact NE1-OE1 3.17Å; W493-W822 HydrophobicContact CB-CZ3 4.25Å; W493-W822 HydrophobicContact CD2-CH2 4.07Å; W493-W822 AromaticContact CD2-CZ3 3.57Å; W493-W822 HydrophobicContact CD2-CZ3 3.57Å; W493-W822 AromaticContact CE2-CZ3 3.83Å; W493-W822 AromaticContact CE3-CH2 3.94Å; W493-W822 HydrophobicContact CE3-CH2 3.94Å; W493-W822 AromaticContact CE3-CZ3 3.93Å; W493-W822 HydrophobicContact CE3-CZ3 3.93Å; W493-W822 AromaticContact CG-CZ3 3.74Å; W493-W822 HydrophobicContact CG-CZ3 3.74Å; W493-W822 HydrophobicContact CH2-CH2 4.48Å; W493-W822 HydrophobicContact CZ2-CZ3 4.36Å; W493-W822 HydrophobicContact CZ3-CH2 4.16Å; W493-W822 HydrophobicContact CZ3-CZ3 4.46Å |
| 494 | P | 94.9 | Very high | 93 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.1 | -35.3 | 173.5 | -24.9 | 34.3 | 0 | 0 | 0 | 113 | P490 D498 V499 F718 T740 | P490-P494 WeakPolarHBondContact O-CD 3.35Å; P490-P494 WeakPolarHBondContact O-CG 3.46Å; P494-D498 PolarHBondContact O-N 3.42Å; P494-V499 HydrophobicContact CB-CB 3.92Å; P494-V499 HydrophobicContact CB-CG1 4.34Å; P494-V499 HydrophobicContact CB-CG2 4.21Å; P494-V499 VanDerWaalsContact O-CB 3.26Å; P494-V499 WeakPolarHBondContact O-CB 3.32Å; P494-V499 PolarHBondContact O-N 3.3Å; P494-F718 HydrophobicContact CG-CE1 4.26Å; P494-F718 HydrophobicContact CG-CZ 4.39Å; P494-T740 HydrophobicContact CG-CG2 4.08Å |
| 495 | F | 95.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.1 | -48 | 172.9 | 163.8 | -112.8 | 0 | 0 | 0 | 112.4 | W460 E472 L476 V492 W493 L497 D498 W502 K826 | W460-F495 HydrophobicContact CH2-CB 4.17Å; W460-F495 AromaticContact CH2-CD1 3.75Å; W460-F495 HydrophobicContact CH2-CD1 3.75Å; W460-F495 HydrophobicContact CH2-CG 4.13Å; W460-F495 HydrophobicContact CZ3-CD1 4.28Å; E472-F495 HydrophobicContact CG-CE2 4.38Å; E472-F495 HydrophobicContact CG-CZ 3.76Å; L476-F495 HydrophobicContact CD2-CE1 3.72Å; L476-F495 HydrophobicContact CD2-CZ 4.04Å; L476-F495 HydrophobicContact CG-CE1 4.18Å; L476-F495 HydrophobicContact CG-CZ 4.26Å; V492-F495 WeakPolarHBondContact O-CB 3.37Å; V492-F495 PolarHBondContact O-N 3.42Å; V492-F495 VanDerWaalsContact O-N 3.16Å; W493-F495 PolarHBondContact O-N 3.43Å; F495-L497 PolarHBondContact O-N 3.24Å; F495-D498 PolarHBondContact O-N 3.15Å; F495-D498 VanDerWaalsContact O-N 3.13Å; F495-W502 HydrophobicContact CD1-CE3 4.45Å; F495-W502 HydrophobicContact CD2-CB 4.47Å; F495-W502 HydrophobicContact CD2-CE3 4.24Å; F495-W502 HydrophobicContact CE1-CE3 4.03Å; F495-W502 HydrophobicContact CE1-CZ3 4.31Å; F495-W502 HydrophobicContact CE2-CB 3.75Å; F495-W502 HydrophobicContact CE2-CD2 4.5Å; F495-W502 AromaticContact CE2-CE3 3.83Å; F495-W502 HydrophobicContact CE2-CE3 3.83Å; F495-W502 HydrophobicContact CZ-CB 4.4Å; F495-W502 AromaticContact CZ-CE3 3.71Å; F495-W502 HydrophobicContact CZ-CE3 3.71Å; F495-W502 HydrophobicContact CZ-CZ3 4.41Å; F495-K826 PolarHBondContact O-NZ 3.18Å |
| 496 | L | 96.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -33.7 | 179.4 | -70.1 | 179.5 | 0 | 0 | 0 | 112.4 | L476 I479 V492 W493 W822 K826 | L476-L496 HydrophobicContact CD2-CD2 3.61Å; I479-L496 HydrophobicContact CD1-CD1 4.45Å; I479-L496 HydrophobicContact CD1-CD2 4.19Å; I479-L496 HydrophobicContact CG2-CD1 4.06Å; V492-L496 HydrophobicContact CG1-CD1 3.79Å; V492-L496 HydrophobicContact CG1-CG 3.98Å; V492-L496 WeakPolarHBondContact O-CG 3.36Å; V492-L496 PolarHBondContact O-N 2.87Å; W493-L496 PolarHBondContact O-N 3.2Å; W493-L496 VanDerWaalsContact O-N 3.13Å; L496-W822 HydrophobicContact CB-CB 3.96Å; L496-W822 HydrophobicContact CB-CE3 4.13Å; L496-W822 HydrophobicContact CD1-CB 4.45Å; L496-W822 HydrophobicContact CD1-CE3 4.11Å; L496-K826 WeakPolarHBondContact O-CE 3.32Å; L496-K826 PolarHBondContact O-NZ 2.92Å |
| 497 | L | 96.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 6 | 179 | -70.2 | 169.8 | 0 | 0 | 0 | 114.2 | W493 F495 V499 L714 C744 K747 L748 W822 | W493-L497 WeakPolarHBondContact O-CB 3.4Å; W493-L497 PolarHBondContact O-N 3.02Å; F495-L497 PolarHBondContact O-N 3.24Å; L497-V499 VanDerWaalsContact C-N 3.25Å; L497-V499 HydrophobicContact CB-CG2 4.37Å; L497-V499 PolarHBondContact O-N 3.31Å; L497-L714 HydrophobicContact CD1-CD2 4.14Å; L497-C744 HydrophobicContact CD1-CB 3.74Å; L497-K747 HydrophobicContact CB-CB 4.3Å; L497-K747 VanDerWaalsContact O-CB 3.25Å; L497-K747 WeakPolarHBondContact O-CB 3.48Å; L497-K747 WeakPolarHBondContact O-CG 3.26Å; L497-L748 HydrophobicContact CD2-CB 4.35Å; L497-L748 HydrophobicContact CD2-CD1 4.26Å; L497-W822 HydrophobicContact CD1-CH2 4.02Å; L497-W822 HydrophobicContact CD1-CZ2 4.28Å; L497-W822 HydrophobicContact CD1-CZ3 4.3Å; L497-W822 HydrophobicContact CD2-CD2 3.95Å; L497-W822 HydrophobicContact CD2-CE3 4.45Å; L497-W822 HydrophobicContact CD2-CG 4.33Å; L497-W822 HydrophobicContact CD2-CH2 4.34Å; L497-W822 HydrophobicContact CD2-CZ2 3.86Å; L497-W822 HydrophobicContact CG-CD2 4.3Å; L497-W822 HydrophobicContact CG-CE3 4.32Å; L497-W822 HydrophobicContact CG-CH2 4.33Å; L497-W822 HydrophobicContact CG-CZ2 4.35Å; L497-W822 HydrophobicContact CG-CZ3 4.34Å |
| 498 | D | 95.3 | Very high | 92.8 | Very high | 88 Ų | 88 | 46.8 Ų | 46.8 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 28.3 | -178.4 | -72.4 | -56.8 | 0 | 0 | 0 | 114.8 | P494 F495 H500 K747 K826 | P494-D498 PolarHBondContact O-N 3.42Å; F495-D498 PolarHBondContact O-N 3.15Å; F495-D498 VanDerWaalsContact O-N 3.13Å; D498-H500 VanDerWaalsContact C-N 3.27Å; D498-K747 WeakPolarHBondContact O-CE 3.42Å; D498-K826 IonicContact OD1-NZ 3.51Å; D498-K826 PolarHBondContact OD1-NZ 3.47Å; D498-K826 IonicContact OD2-NZ 2.72Å; D498-K826 PolarHBondContact OD2-NZ 3.36Å |
| 499 | V | 94.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -65 | -39.8 | 167.1 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | P494 L497 M743 C744 K747 | P494-V499 HydrophobicContact CB-CB 3.92Å; P494-V499 HydrophobicContact CB-CG1 4.34Å; P494-V499 HydrophobicContact CB-CG2 4.21Å; P494-V499 VanDerWaalsContact O-CB 3.26Å; P494-V499 WeakPolarHBondContact O-CB 3.32Å; P494-V499 PolarHBondContact O-N 3.3Å; L497-V499 VanDerWaalsContact C-N 3.25Å; L497-V499 HydrophobicContact CB-CG2 4.37Å; L497-V499 PolarHBondContact O-N 3.31Å; V499-M743 HydrophobicContact CG1-CB 3.89Å; V499-M743 HydrophobicContact CG1-CE 3.57Å; V499-M743 HydrophobicContact CG2-CB 4.43Å; V499-C744 HydrophobicContact CG2-CB 4.47Å; V499-K747 HydrophobicContact CG2-CB 4.24Å; V499-K747 HydrophobicContact CG2-CG 3.88Å |
| 500 | H | 93.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -138.4 | 156.3 | 169.7 | 61.8 | 79.1 | 0 | 0 | 0 | 110.5 | D498 D504 I509 | D498-H500 VanDerWaalsContact C-N 3.27Å; H500-D504 HydrophobicContact CB-CB 4.38Å; H500-I509 HydrophobicContact CB-CD1 4.21Å; H500-I509 HydrophobicContact CB-CG1 3.87Å |
| 501 | K | 93.7 | Very high | 92.8 | Very high | 140 Ų | 140 | 56.8 Ų | 56.8 | 61% | 0.609 | 30% | 0.298 | S | S | * | . | trans | -86.7 | 163.2 | -180 | -61.5 | -176.2 | 179 | -177.5 | 0 | 110.8 | A503 D504 | K501-A503 VanDerWaalsContact C-N 3.27Å; K501-A503 PolarHBondContact O-N 3Å; K501-D504 PolarHBondContact N-OD2 3.15Å; K501-D504 WeakPolarHBondContact O-CB 3.46Å; K501-D504 PolarHBondContact O-N 3.11Å | ||
| 502 | W | 92.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 56 Ų | 56 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -37.8 | 173 | -174.8 | -102.5 | 0 | 0 | 0 | 112.4 | W460 M463 R464 L467 Q468 D471 E472 A475 F495 D504 | W460-W502 HydrophobicContact CE3-CZ3 4.44Å; W460-W502 AromaticContact CH2-CZ3 3.93Å; W460-W502 HydrophobicContact CH2-CZ3 3.93Å; W460-W502 HydrophobicContact CZ3-CH2 4.33Å; W460-W502 AromaticContact CZ3-CZ3 3.67Å; W460-W502 HydrophobicContact CZ3-CZ3 3.67Å; M463-W502 HydrophobicContact CB-CH2 3.99Å; M463-W502 HydrophobicContact CB-CZ2 4.23Å; R464-W502 HydrophobicContact CG-CH2 4.49Å; R464-W502 PolarHBondContact NH1-O 3.08Å; L467-W502 WeakPolarHBondContact CD2-O 3.4Å; Q468-W502 PolarHBondContact O-NE1 2.94Å; D471-W502 HydrophobicContact CB-CZ2 3.82Å; E472-W502 HydrophobicContact CB-CB 4.38Å; E472-W502 HydrophobicContact CB-CD2 3.62Å; E472-W502 HydrophobicContact CB-CE3 4.2Å; E472-W502 HydrophobicContact CB-CG 3.69Å; E472-W502 HydrophobicContact CB-CZ2 4.3Å; E472-W502 HydrophobicContact CG-CB 3.88Å; E472-W502 HydrophobicContact CG-CD2 3.75Å; E472-W502 HydrophobicContact CG-CE3 4.02Å; E472-W502 HydrophobicContact CG-CG 3.68Å; E472-W502 WeakPolarHBondContact OE1-CB 3.47Å; A475-W502 HydrophobicContact CB-CH2 4.25Å; A475-W502 HydrophobicContact CB-CZ3 4.34Å; F495-W502 HydrophobicContact CD1-CE3 4.45Å; F495-W502 HydrophobicContact CD2-CB 4.47Å; F495-W502 HydrophobicContact CD2-CE3 4.24Å; F495-W502 HydrophobicContact CE1-CE3 4.03Å; F495-W502 HydrophobicContact CE1-CZ3 4.31Å; F495-W502 HydrophobicContact CE2-CB 3.75Å; F495-W502 HydrophobicContact CE2-CD2 4.5Å; F495-W502 AromaticContact CE2-CE3 3.83Å; F495-W502 HydrophobicContact CE2-CE3 3.83Å; F495-W502 HydrophobicContact CZ-CB 4.4Å; F495-W502 AromaticContact CZ-CE3 3.71Å; F495-W502 HydrophobicContact CZ-CE3 3.71Å; F495-W502 HydrophobicContact CZ-CZ3 4.41Å; W502-D504 PolarHBondContact O-N 2.76Å |
| 503 | A | 92.2 | Very high | 92.7 | Very high | 74 Ų | 74 | 56.9 Ų | 56.9 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -12.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | K501 T505 | K501-A503 VanDerWaalsContact C-N 3.27Å; K501-A503 PolarHBondContact O-N 3Å; A503-T505 PolarHBondContact O-N 3.31Å |
| 504 | D | 92.6 | Very high | 92.5 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | trans | -70.5 | 130.9 | -178.2 | -65.8 | -15.5 | 0 | 0 | 0 | 109.8 | R464 H500 K501 W502 I509 R512 | R464-D504 PolarHBondContact NH2-O 3.04Å; H500-D504 HydrophobicContact CB-CB 4.38Å; K501-D504 PolarHBondContact N-OD2 3.15Å; K501-D504 WeakPolarHBondContact O-CB 3.46Å; K501-D504 PolarHBondContact O-N 3.11Å; W502-D504 PolarHBondContact O-N 2.76Å; D504-I509 HydrophobicContact CB-CD1 4.39Å; D504-I509 HydrophobicContact CB-CG1 4.03Å; D504-R512 IonicContact OD2-NH1 3.42Å | ||
| 505 | T | 90.9 | Very high | 92.5 | Very high | 53 Ų | 53 | 65.3 Ų | 65.3 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | trans | -77.4 | 158.7 | 175.8 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | L467 A503 D507 Q508 I509 | L467-T505 HydrophobicContact CD1-CG2 4.23Å; A503-T505 PolarHBondContact O-N 3.31Å; T505-D507 VanDerWaalsContact C-N 3.26Å; T505-D507 PolarHBondContact O-N 2.91Å; T505-Q508 PolarHBondContact O-N 3.23Å; T505-Q508 VanDerWaalsContact O-N 3.14Å; T505-Q508 VanDerWaalsContact OG1-CG 3.23Å; T505-Q508 WeakPolarHBondContact OG1-CG 3.41Å; T505-Q508 PolarHBondContact OG1-N 2.91Å; T505-Q508 PolarHBondContact OG1-OE1 2.98Å; T505-I509 WeakPolarHBondContact O-CG1 3.41Å; T505-I509 PolarHBondContact O-N 2.85Å | ||
| 506 | N | 87.6 | Confident | 92.4 | Very high | 114 Ų | 114 | 66.9 Ų | 66.9 | 61% | 0.61 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.5 | -38 | 179.3 | -68.7 | -15.5 | 0 | 0 | 0 | 112.3 | Q508 I509 E510 | N506-Q508 PolarHBondContact O-N 3.36Å; N506-I509 PolarHBondContact O-N 3.19Å; N506-E510 WeakPolarHBondContact O-CB 3.24Å; N506-E510 PolarHBondContact O-N 3.38Å |
| 507 | D | 90.5 | Very high | 92.3 | Very high | 127 Ų | 127 | 69.7 Ų | 69.7 | 68% | 0.679 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.5 | -38.6 | 178.1 | -57.3 | -22 | 0 | 0 | 0 | 111.9 | T505 S511 | T505-D507 VanDerWaalsContact C-N 3.26Å; T505-D507 PolarHBondContact O-N 2.91Å; D507-S511 WeakPolarHBondContact O-CB 3.24Å; D507-S511 PolarHBondContact O-N 3.2Å |
| 508 | Q | 92.2 | Very high | 92.2 | Very high | 111 Ų | 111 | 74.4 Ų | 74.4 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68 | -40 | 175.3 | -73.4 | 167.5 | -31.9 | 0 | 0 | 111.8 | T505 N506 R512 | T505-Q508 PolarHBondContact O-N 3.23Å; T505-Q508 VanDerWaalsContact O-N 3.14Å; T505-Q508 VanDerWaalsContact OG1-CG 3.23Å; T505-Q508 WeakPolarHBondContact OG1-CG 3.41Å; T505-Q508 PolarHBondContact OG1-N 2.91Å; T505-Q508 PolarHBondContact OG1-OE1 2.98Å; N506-Q508 PolarHBondContact O-N 3.36Å; Q508-R512 PolarHBondContact O-N 2.84Å |
| 509 | I | 90.3 | Very high | 92.3 | Very high | 35 Ų | 35 | 77.4 Ų | 77.4 | 18% | 0.179 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 175.3 | -64.8 | 167.2 | 0 | 0 | 0 | 109.2 | H500 D504 T505 N506 S511 R512 T513 | H500-I509 HydrophobicContact CB-CD1 4.21Å; H500-I509 HydrophobicContact CB-CG1 3.87Å; D504-I509 HydrophobicContact CB-CD1 4.39Å; D504-I509 HydrophobicContact CB-CG1 4.03Å; T505-I509 WeakPolarHBondContact O-CG1 3.41Å; T505-I509 PolarHBondContact O-N 2.85Å; N506-I509 PolarHBondContact O-N 3.19Å; I509-S511 PolarHBondContact O-N 2.99Å; I509-R512 PolarHBondContact O-N 3.14Å; I509-T513 WeakPolarHBondContact O-CB 3.5Å; I509-T513 PolarHBondContact O-N 2.95Å; I509-T513 PolarHBondContact O-OG1 3.35Å |
| 510 | E | 88.4 | Confident | 92.3 | Very high | 141 Ų | 141 | 76.7 Ų | 76.7 | 66% | 0.659 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.5 | -43.9 | 178.9 | -174.8 | 173 | -171.6 | 0 | 0 | 112.2 | N506 R512 T513 S514 | N506-E510 WeakPolarHBondContact O-CB 3.24Å; N506-E510 PolarHBondContact O-N 3.38Å; E510-R512 PolarHBondContact O-N 3.45Å; E510-T513 PolarHBondContact O-N 3Å; E510-S514 WeakPolarHBondContact O-CB 3.46Å; E510-S514 PolarHBondContact O-N 3.02Å |
| 511 | S | 92.2 | Very high | 92.4 | Very high | 81 Ų | 81 | 78.5 Ų | 78.5 | 57% | 0.566 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.6 | -47 | 176.6 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | D507 I509 S514 E515 | D507-S511 WeakPolarHBondContact O-CB 3.24Å; D507-S511 PolarHBondContact O-N 3.2Å; I509-S511 PolarHBondContact O-N 2.99Å; S511-S514 PolarHBondContact O-N 3.4Å; S511-E515 PolarHBondContact O-N 3.45Å; S511-E515 VanDerWaalsContact O-N 3.12Å |
| 512 | R | 91 | Very high | 92.5 | Very high | 118 Ų | 118 | 77 Ų | 77 | 45% | 0.445 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 178.4 | -177.4 | 179.3 | -68.7 | 158.7 | 6.9 | 111.3 | D504 Q508 I509 E510 S514 E515 V516 | D504-R512 IonicContact OD2-NH1 3.42Å; Q508-R512 PolarHBondContact O-N 2.84Å; I509-R512 PolarHBondContact O-N 3.14Å; E510-R512 PolarHBondContact O-N 3.45Å; R512-S514 VanDerWaalsContact C-N 3.27Å; R512-S514 PolarHBondContact O-N 3.27Å; R512-E515 PolarHBondContact O-N 3.39Å; R512-V516 WeakPolarHBondContact O-CG2 3.35Å; R512-V516 PolarHBondContact O-N 2.87Å |
| 513 | T | 90.6 | Very high | 92.8 | Very high | 19 Ų | 19 | 77 Ų | 77 | 12% | 0.117 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62 | -37.6 | 177 | -62 | 0 | 0 | 0 | 0 | 111.1 | I509 E510 V516 R517 L736 M743 | I509-T513 WeakPolarHBondContact O-CB 3.5Å; I509-T513 PolarHBondContact O-N 2.95Å; I509-T513 PolarHBondContact O-OG1 3.35Å; E510-T513 PolarHBondContact O-N 3Å; T513-V516 PolarHBondContact O-N 3.35Å; T513-R517 VanDerWaalsContact O-CB 3.25Å; T513-R517 WeakPolarHBondContact O-CB 3.45Å; T513-R517 PolarHBondContact O-N 3.22Å; T513-L736 HydrophobicContact CG2-CD1 3.44Å; T513-L736 VanDerWaalsContact CG2-CD1 3.44Å; T513-M743 HydrophobicContact CG2-SD 4.07Å |
| 514 | S | 91.4 | Very high | 93 | Very high | 48 Ų | 48 | 74.1 Ų | 74.1 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64 | -41 | 174.3 | 179.1 | 0 | 0 | 0 | 0 | 112.6 | E510 S511 R512 R517 Q518 | E510-S514 WeakPolarHBondContact O-CB 3.46Å; E510-S514 PolarHBondContact O-N 3.02Å; S511-S514 PolarHBondContact O-N 3.4Å; R512-S514 VanDerWaalsContact C-N 3.27Å; R512-S514 PolarHBondContact O-N 3.27Å; S514-R517 WeakPolarHBondContact O-CB 3.41Å; S514-R517 PolarHBondContact O-N 3.04Å; S514-Q518 WeakPolarHBondContact O-CG 3.49Å; S514-Q518 PolarHBondContact O-N 3.21Å |
| 515 | E | 94 | Very high | 93.2 | Very high | 138 Ų | 138 | 76.6 Ų | 76.6 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.5 | -48.8 | 175.1 | -174.6 | -178.5 | 175.8 | 0 | 0 | 111.5 | S511 R512 R517 Q518 R519 | S511-E515 PolarHBondContact O-N 3.45Å; S511-E515 VanDerWaalsContact O-N 3.12Å; R512-E515 PolarHBondContact O-N 3.39Å; E515-R517 VanDerWaalsContact C-N 3.26Å; E515-R517 PolarHBondContact O-N 2.96Å; E515-Q518 PolarHBondContact O-N 2.89Å; E515-R519 PolarHBondContact O-N 2.95Å; E515-R519 VanDerWaalsContact O-N 3.13Å |
| 516 | V | 94.5 | Very high | 93.4 | Very high | 34 Ų | 34 | 78 Ų | 78 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -36.3 | 177 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | R512 T513 Q518 R519 Y520 V739 Y742 M743 | R512-V516 WeakPolarHBondContact O-CG2 3.35Å; R512-V516 PolarHBondContact O-N 2.87Å; T513-V516 PolarHBondContact O-N 3.35Å; V516-Q518 VanDerWaalsContact C-N 3.33Å; V516-Q518 PolarHBondContact O-N 3.16Å; V516-R519 PolarHBondContact O-N 3.35Å; V516-Y520 VanDerWaalsContact O-CB 3.23Å; V516-Y520 WeakPolarHBondContact O-CB 3.32Å; V516-Y520 PolarHBondContact O-N 3.24Å; V516-V739 HydrophobicContact CG1-CG1 4.26Å; V516-Y742 HydrophobicContact CG1-CD1 4.21Å; V516-Y742 HydrophobicContact CG1-CE1 4.14Å; V516-M743 HydrophobicContact CB-CE 4.36Å; V516-M743 HydrophobicContact CB-CG 4.29Å; V516-M743 HydrophobicContact CB-SD 4.06Å; V516-M743 HydrophobicContact CG1-CG 3.63Å; V516-M743 HydrophobicContact CG1-SD 4.01Å; V516-M743 HydrophobicContact CG2-CE 4.09Å; V516-M743 HydrophobicContact CG2-SD 4.42Å |
| 517 | R | 94 | Very high | 93.9 | Very high | 63 Ų | 63 | 72.5 Ų | 72.5 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 175.5 | -170.5 | -175 | 94.1 | 179.4 | 2.7 | 111.9 | T513 S514 E515 Y520 Q521 F735 V739 | T513-R517 VanDerWaalsContact O-CB 3.25Å; T513-R517 WeakPolarHBondContact O-CB 3.45Å; T513-R517 PolarHBondContact O-N 3.22Å; S514-R517 WeakPolarHBondContact O-CB 3.41Å; S514-R517 PolarHBondContact O-N 3.04Å; E515-R517 VanDerWaalsContact C-N 3.26Å; E515-R517 PolarHBondContact O-N 2.96Å; R517-Y520 PolarHBondContact O-N 3.16Å; R517-Q521 WeakPolarHBondContact O-CB 3.17Å; R517-Q521 VanDerWaalsContact O-CG 3.29Å; R517-Q521 WeakPolarHBondContact O-CG 3.46Å; R517-Q521 PolarHBondContact O-N 3.22Å; R517-F735 HydrophobicContact CG-CD1 3.75Å; R517-F735 HydrophobicContact CG-CE1 3.55Å; R517-V739 HydrophobicContact CB-CG1 4.14Å; R517-V739 HydrophobicContact CB-CG2 4.3Å; R517-V739 HydrophobicContact CG-CG2 3.87Å |
| 518 | Q | 95 | Very high | 94.2 | Very high | 112 Ų | 112 | 69.3 Ų | 69.3 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 179 | -68.1 | 173.9 | 28.8 | 0 | 0 | 110.9 | S514 E515 V516 Y520 Q521 M522 | S514-Q518 WeakPolarHBondContact O-CG 3.49Å; S514-Q518 PolarHBondContact O-N 3.21Å; E515-Q518 PolarHBondContact O-N 2.89Å; V516-Q518 VanDerWaalsContact C-N 3.33Å; V516-Q518 PolarHBondContact O-N 3.16Å; Q518-Y520 PolarHBondContact O-N 3.01Å; Q518-Q521 PolarHBondContact O-N 2.96Å; Q518-M522 WeakPolarHBondContact O-CG 3.27Å; Q518-M522 PolarHBondContact O-N 3.28Å |
| 519 | R | 95.7 | Very high | 94.5 | Very high | 151 Ų | 151 | 65 Ų | 65 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60 | -45.4 | 175.5 | -179.9 | 175.5 | 170.1 | 143.6 | -7.5 | 112.1 | E515 V516 Q521 M522 A523 E697 | E515-R519 PolarHBondContact O-N 2.95Å; E515-R519 VanDerWaalsContact O-N 3.13Å; V516-R519 PolarHBondContact O-N 3.35Å; R519-Q521 PolarHBondContact O-N 3.37Å; R519-M522 PolarHBondContact O-N 3.38Å; R519-A523 WeakPolarHBondContact O-CB 3.33Å; R519-A523 PolarHBondContact O-N 2.94Å; R519-E697 IonicContact CZ-OE1 3.84Å; R519-E697 IonicContact CZ-OE2 2.91Å; R519-E697 IonicContact NE-OE1 2.63Å; R519-E697 PolarHBondContact NE-OE1 3.44Å; R519-E697 IonicContact NE-OE2 2.75Å; R519-E697 PolarHBondContact NE-OE2 3Å; R519-E697 VanDerWaalsContact NH2-CD 3.31Å; R519-E697 IonicContact NH2-OE1 3.11Å; R519-E697 PolarHBondContact NH2-OE1 3.45Å; R519-E697 IonicContact NH2-OE2 3.33Å; R519-E697 PolarHBondContact NH2-OE2 3.31Å |
| 520 | Y | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 177.4 | -175.1 | -103.1 | 0 | 0 | 0 | 111.7 | V516 R517 Q518 A523 I524 N689 V690 T693 F735 E738 V739 Y742 | V516-Y520 VanDerWaalsContact O-CB 3.23Å; V516-Y520 WeakPolarHBondContact O-CB 3.32Å; V516-Y520 PolarHBondContact O-N 3.24Å; R517-Y520 PolarHBondContact O-N 3.16Å; Q518-Y520 PolarHBondContact O-N 3.01Å; Y520-A523 PolarHBondContact O-N 3.45Å; Y520-I524 HydrophobicContact CD1-CD1 3.83Å; Y520-I524 HydrophobicContact CE1-CD1 3.3Å; Y520-I524 HydrophobicContact CE1-CG1 4.26Å; Y520-I524 WeakPolarHBondContact O-CG1 3.42Å; Y520-I524 PolarHBondContact O-N 3.17Å; Y520-N689 VanDerWaalsContact OH-C 3.26Å; Y520-N689 WeakPolarHBondContact OH-CB 3.13Å; Y520-N689 PolarHBondContact OH-O 2.97Å; Y520-V690 WeakPolarHBondContact OH-CA 3.32Å; Y520-V690 PolarHBondContact OH-N 3.42Å; Y520-T693 HydrophobicContact CD2-CG2 3.46Å; Y520-T693 VanDerWaalsContact CD2-CG2 3.46Å; Y520-T693 HydrophobicContact CE2-CG2 3.57Å; Y520-T693 HydrophobicContact CG-CG2 4.44Å; Y520-F735 HydrophobicContact CD1-CE1 4.24Å; Y520-F735 AromaticContact CD1-CZ 3.76Å; Y520-F735 HydrophobicContact CD1-CZ 3.76Å; Y520-F735 HydrophobicContact CE1-CZ 4.13Å; Y520-E738 HydrophobicContact CE1-CG 4.06Å; Y520-E738 PolarHBondContact OH-OE1 2.92Å; Y520-E738 VanDerWaalsContact OH-OE1 3.1Å; Y520-V739 HydrophobicContact CD1-CG2 3.68Å; Y520-V739 HydrophobicContact CE1-CG2 4.26Å; Y520-V739 HydrophobicContact CG-CG2 4.25Å; Y520-Y742 AromaticContact CD2-CD1 3.5Å; Y520-Y742 HydrophobicContact CD2-CD1 3.5Å; Y520-Y742 VanDerWaalsContact CD2-CD1 3.5Å; Y520-Y742 AromaticContact CD2-CD2 3.8Å; Y520-Y742 HydrophobicContact CD2-CD2 3.8Å; Y520-Y742 AromaticContact CD2-CE1 3.94Å; Y520-Y742 HydrophobicContact CD2-CE1 3.94Å; Y520-Y742 HydrophobicContact CD2-CE2 4.21Å; Y520-Y742 AromaticContact CD2-CG 3.42Å; Y520-Y742 HydrophobicContact CD2-CG 3.42Å; Y520-Y742 VanDerWaalsContact CD2-CG 3.42Å; Y520-Y742 HydrophobicContact CE2-CD1 4.03Å; Y520-Y742 AromaticContact CE2-CD2 3.58Å; Y520-Y742 HydrophobicContact CE2-CD2 3.58Å; Y520-Y742 HydrophobicContact CE2-CE2 4.29Å; Y520-Y742 AromaticContact CE2-CG 3.43Å; Y520-Y742 HydrophobicContact CE2-CG 3.43Å; Y520-Y742 VanDerWaalsContact CE2-CG 3.43Å; Y520-Y742 HydrophobicContact CG-CD1 4.35Å |
| 521 | Q | 95.2 | Very high | 95.1 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 175.2 | -76 | 174.3 | -21.4 | 0 | 0 | 112.3 | R517 Q518 R519 I524 V525 F735 | R517-Q521 WeakPolarHBondContact O-CB 3.17Å; R517-Q521 VanDerWaalsContact O-CG 3.29Å; R517-Q521 WeakPolarHBondContact O-CG 3.46Å; R517-Q521 PolarHBondContact O-N 3.22Å; Q518-Q521 PolarHBondContact O-N 2.96Å; R519-Q521 PolarHBondContact O-N 3.37Å; Q521-I524 PolarHBondContact O-N 3.22Å; Q521-V525 WeakPolarHBondContact O-CG2 3.22Å; Q521-V525 PolarHBondContact O-N 2.91Å; Q521-V525 VanDerWaalsContact O-N 3.11Å; Q521-F735 HydrophobicContact CB-CZ 4.47Å; Q521-F735 HydrophobicContact CG-CE1 3.36Å; Q521-F735 HydrophobicContact CG-CE2 4.24Å; Q521-F735 HydrophobicContact CG-CZ 3.19Å |
| 522 | M | 96.7 | Very high | 95.4 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 53% | 0.532 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 177.7 | -67.9 | -61.6 | 97.1 | 0 | 0 | 111.3 | Q518 R519 I524 V525 H526 | Q518-M522 WeakPolarHBondContact O-CG 3.27Å; Q518-M522 PolarHBondContact O-N 3.28Å; R519-M522 PolarHBondContact O-N 3.38Å; M522-I524 VanDerWaalsContact C-N 3.31Å; M522-I524 PolarHBondContact O-N 3.15Å; M522-V525 PolarHBondContact O-N 3.08Å; M522-H526 PolarHBondContact O-CD2 3.38Å; M522-H526 PolarHBondContact O-N 2.86Å |
| 523 | A | 96.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R519 Y520 V525 H526 W527 T693 | R519-A523 WeakPolarHBondContact O-CB 3.33Å; R519-A523 PolarHBondContact O-N 2.94Å; Y520-A523 PolarHBondContact O-N 3.45Å; A523-V525 PolarHBondContact O-N 3.21Å; A523-H526 PolarHBondContact O-N 3.42Å; A523-W527 VanDerWaalsContact C-CD1 3.48Å; A523-W527 PolarHBondContact O-N 3.23Å; A523-T693 HydrophobicContact CB-CG2 3.65Å |
| 524 | I | 96.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.9 | -50.8 | 173.3 | -72.4 | 178.7 | 0 | 0 | 0 | 112.1 | Y520 Q521 M522 H526 W527 Q528 N689 T693 | Y520-I524 HydrophobicContact CD1-CD1 3.83Å; Y520-I524 HydrophobicContact CE1-CD1 3.3Å; Y520-I524 HydrophobicContact CE1-CG1 4.26Å; Y520-I524 WeakPolarHBondContact O-CG1 3.42Å; Y520-I524 PolarHBondContact O-N 3.17Å; Q521-I524 PolarHBondContact O-N 3.22Å; M522-I524 VanDerWaalsContact C-N 3.31Å; M522-I524 PolarHBondContact O-N 3.15Å; I524-H526 VanDerWaalsContact C-N 3.29Å; I524-H526 PolarHBondContact O-N 3.49Å; I524-W527 VanDerWaalsContact CA-NE1 3.32Å; I524-W527 HydrophobicContact CB-CZ2 4.38Å; I524-W527 HydrophobicContact CG1-CZ2 3.99Å; I524-W527 HydrophobicContact CG2-CZ2 4.12Å; I524-W527 PolarHBondContact O-N 3Å; I524-Q528 VanDerWaalsContact CG2-CD 3.47Å; I524-Q528 HydrophobicContact CG2-CG 4.1Å; I524-Q528 WeakPolarHBondContact O-CB 3.35Å; I524-Q528 WeakPolarHBondContact O-CG 3.24Å; I524-Q528 PolarHBondContact O-N 3.19Å; I524-N689 HydrophobicContact CD1-CB 4.12Å; I524-T693 WeakPolarHBondContact CG1-OG1 3.47Å |
| 525 | V | 96.6 | Very high | 96.1 | Very high | 76 Ų | 76 | 56.6 Ų | 56.6 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | Q521 M522 A523 A529 | Q521-V525 WeakPolarHBondContact O-CG2 3.22Å; Q521-V525 PolarHBondContact O-N 2.91Å; Q521-V525 VanDerWaalsContact O-N 3.11Å; M522-V525 PolarHBondContact O-N 3.08Å; A523-V525 PolarHBondContact O-N 3.21Å; V525-A529 WeakPolarHBondContact O-CB 3.49Å; V525-A529 PolarHBondContact O-N 3.01Å |
| 526 | H | 96.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 56.3 Ų | 56.3 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -52.4 | -179.6 | -75.7 | -66.1 | 0 | 0 | 0 | 112.9 | M522 A523 I524 Q528 A529 V530 Y650 W696 | M522-H526 PolarHBondContact O-CD2 3.38Å; M522-H526 PolarHBondContact O-N 2.86Å; A523-H526 PolarHBondContact O-N 3.42Å; I524-H526 VanDerWaalsContact C-N 3.29Å; I524-H526 PolarHBondContact O-N 3.49Å; H526-Q528 VanDerWaalsContact C-N 3.32Å; H526-Q528 PolarHBondContact O-N 2.91Å; H526-A529 WeakPolarHBondContact O-CB 3.17Å; H526-A529 PolarHBondContact O-N 3.35Å; H526-V530 PolarHBondContact O-N 3.4Å; H526-V530 VanDerWaalsContact O-N 3.16Å; H526-Y650 PolarHBondContact ND1-OH 2.92Å; H526-W696 HydrophobicContact CB-CZ2 3.91Å |
| 527 | W | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.2 | -28 | -177.1 | 72.2 | -115.8 | 0 | 0 | 0 | 112.4 | A523 I524 V530 E531 F658 N689 C692 T693 W696 | A523-W527 VanDerWaalsContact C-CD1 3.48Å; A523-W527 PolarHBondContact O-N 3.23Å; I524-W527 VanDerWaalsContact CA-NE1 3.32Å; I524-W527 HydrophobicContact CB-CZ2 4.38Å; I524-W527 HydrophobicContact CG1-CZ2 3.99Å; I524-W527 HydrophobicContact CG2-CZ2 4.12Å; I524-W527 PolarHBondContact O-N 3Å; W527-V530 PolarHBondContact O-N 2.83Å; W527-E531 VanDerWaalsContact CZ3-OE2 3.31Å; W527-E531 WeakPolarHBondContact CZ3-OE2 3.48Å; W527-E531 WeakPolarHBondContact O-CB 3.19Å; W527-E531 PolarHBondContact O-N 3.25Å; W527-F658 HydrophobicContact CB-CE1 4.23Å; W527-F658 HydrophobicContact CB-CE2 4.17Å; W527-F658 HydrophobicContact CB-CZ 3.71Å; W527-F658 HydrophobicContact CD2-CZ 4.32Å; W527-F658 HydrophobicContact CE3-CZ 4.02Å; W527-F658 HydrophobicContact CG-CZ 4.22Å; W527-N689 HydrophobicContact CZ2-CB 4.35Å; W527-C692 HydrophobicContact CD2-CB 3.87Å; W527-C692 HydrophobicContact CE3-CB 3.98Å; W527-C692 HydrophobicContact CH2-CB 4.03Å; W527-C692 HydrophobicContact CZ2-CB 3.89Å; W527-C692 HydrophobicContact CZ3-CB 4.04Å; W527-T693 PolarHBondContact NE1-OG1 2.81Å; W527-W696 HydrophobicContact CB-CB 4.07Å; W527-W696 HydrophobicContact CB-CD2 3.5Å; W527-W696 VanDerWaalsContact CB-CD2 3.5Å; W527-W696 HydrophobicContact CB-CE3 3.45Å; W527-W696 VanDerWaalsContact CB-CE3 3.45Å; W527-W696 HydrophobicContact CB-CG 3.77Å; W527-W696 HydrophobicContact CB-CZ3 4.05Å; W527-W696 HydrophobicContact CG-CB 4.39Å; W527-W696 HydrophobicContact CG-CG 4.43Å |
| 528 | Q | 97.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 57.7 Ų | 57.7 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 171.7 | -76.5 | -178.4 | -15.5 | 0 | 0 | 112 | I524 H526 V530 E531 L532 | I524-Q528 VanDerWaalsContact CG2-CD 3.47Å; I524-Q528 HydrophobicContact CG2-CG 4.1Å; I524-Q528 WeakPolarHBondContact O-CB 3.35Å; I524-Q528 WeakPolarHBondContact O-CG 3.24Å; I524-Q528 PolarHBondContact O-N 3.19Å; H526-Q528 VanDerWaalsContact C-N 3.32Å; H526-Q528 PolarHBondContact O-N 2.91Å; Q528-V530 VanDerWaalsContact C-N 3.28Å; Q528-V530 PolarHBondContact O-N 2.94Å; Q528-E531 WeakPolarHBondContact O-CB 3.29Å; Q528-E531 PolarHBondContact O-N 3.11Å; Q528-L532 WeakPolarHBondContact O-CG 3.17Å; Q528-L532 PolarHBondContact O-N 3.1Å |
| 529 | A | 97.2 | Very high | 96 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V525 H526 L532 I533 Y650 | V525-A529 WeakPolarHBondContact O-CB 3.49Å; V525-A529 PolarHBondContact O-N 3.01Å; H526-A529 WeakPolarHBondContact O-CB 3.17Å; H526-A529 PolarHBondContact O-N 3.35Å; A529-L532 PolarHBondContact O-N 3.24Å; A529-I533 WeakPolarHBondContact O-CG1 2.97Å; A529-I533 PolarHBondContact O-N 3.45Å; A529-Y650 HydrophobicContact CB-CE2 4.37Å |
| 530 | V | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 173.9 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | H526 W527 Q528 L532 I533 V534 Y650 L654 I655 F658 W696 | H526-V530 PolarHBondContact O-N 3.4Å; H526-V530 VanDerWaalsContact O-N 3.16Å; W527-V530 PolarHBondContact O-N 2.83Å; Q528-V530 VanDerWaalsContact C-N 3.28Å; Q528-V530 PolarHBondContact O-N 2.94Å; V530-L532 VanDerWaalsContact C-N 3.27Å; V530-L532 PolarHBondContact O-N 3.17Å; V530-I533 WeakPolarHBondContact O-CB 3.13Å; V530-I533 PolarHBondContact O-N 3.46Å; V530-I533 VanDerWaalsContact O-N 3.11Å; V530-V534 HydrophobicContact CG1-CG2 4.17Å; V530-V534 WeakPolarHBondContact O-CG2 3.46Å; V530-V534 PolarHBondContact O-N 3.48Å; V530-Y650 HydrophobicContact CG2-CD1 3.76Å; V530-Y650 HydrophobicContact CG2-CD2 3.6Å; V530-Y650 HydrophobicContact CG2-CE1 3.9Å; V530-Y650 HydrophobicContact CG2-CE2 3.73Å; V530-Y650 HydrophobicContact CG2-CG 3.6Å; V530-L654 HydrophobicContact CG2-CD2 4.3Å; V530-I655 HydrophobicContact CG1-CG1 4.2Å; V530-I655 HydrophobicContact CG1-CG2 4.47Å; V530-F658 HydrophobicContact CB-CD1 4.21Å; V530-F658 HydrophobicContact CG1-CB 4.34Å; V530-F658 HydrophobicContact CG1-CD1 3.7Å; V530-F658 HydrophobicContact CG1-CE1 4.48Å; V530-F658 HydrophobicContact CG1-CG 4.38Å; V530-W696 HydrophobicContact CB-CH2 4.22Å; V530-W696 HydrophobicContact CB-CZ3 4.01Å; V530-W696 HydrophobicContact CG1-CZ3 4.3Å; V530-W696 HydrophobicContact CG2-CH2 3.52Å; V530-W696 HydrophobicContact CG2-CZ3 3.81Å |
| 531 | E | 96.5 | Very high | 95.9 | Very high | 20 Ų | 20 | 58 Ų | 58 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.4 | -43 | 173.9 | 168.6 | 173.3 | -151.8 | 0 | 0 | 111.4 | W527 Q528 I533 V534 R535 F658 L662 K688 | W527-E531 VanDerWaalsContact CZ3-OE2 3.31Å; W527-E531 WeakPolarHBondContact CZ3-OE2 3.48Å; W527-E531 WeakPolarHBondContact O-CB 3.19Å; W527-E531 PolarHBondContact O-N 3.25Å; Q528-E531 WeakPolarHBondContact O-CB 3.29Å; Q528-E531 PolarHBondContact O-N 3.11Å; E531-I533 VanDerWaalsContact C-N 3.34Å; E531-I533 PolarHBondContact O-N 3.28Å; E531-V534 PolarHBondContact O-N 2.99Å; E531-R535 HydrophobicContact CG-CG 4.16Å; E531-R535 WeakPolarHBondContact O-CB 3.41Å; E531-R535 WeakPolarHBondContact O-CG 3.44Å; E531-R535 PolarHBondContact O-N 3.37Å; E531-R535 IonicContact OE1-CZ 3.29Å; E531-R535 IonicContact OE1-NH1 2.74Å; E531-R535 PolarHBondContact OE1-NH1 3.28Å; E531-R535 IonicContact OE1-NH2 3.76Å; E531-R535 PolarHBondContact OE1-NH2 3.37Å; E531-F658 HydrophobicContact CB-CE1 4.46Å; E531-L662 HydrophobicContact CB-CD2 4Å; E531-L662 HydrophobicContact CG-CD2 3.83Å; E531-K688 IonicContact OE1-NZ 3.25Å; E531-K688 PolarHBondContact OE1-NZ 2.94Å; E531-K688 IonicContact OE2-NZ 2.59Å |
| 532 | L | 96.8 | Very high | 95.9 | Very high | 102 Ų | 102 | 59.1 Ų | 59.1 | 53% | 0.534 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 176.8 | -69.7 | 174.6 | 0 | 0 | 0 | 111.9 | Q528 A529 V530 R535 K536 L631 | Q528-L532 WeakPolarHBondContact O-CG 3.17Å; Q528-L532 PolarHBondContact O-N 3.1Å; A529-L532 PolarHBondContact O-N 3.24Å; V530-L532 VanDerWaalsContact C-N 3.27Å; V530-L532 PolarHBondContact O-N 3.17Å; L532-R535 PolarHBondContact O-N 3.5Å; L532-K536 WeakPolarHBondContact O-CB 3.46Å; L532-K536 PolarHBondContact O-N 3.1Å; L532-L631 HydrophobicContact CD1-CD2 4.07Å |
| 533 | I | 95.9 | Very high | 95.8 | Very high | 50 Ų | 50 | 57.5 Ų | 57.5 | 26% | 0.256 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 175.1 | -63 | 167.6 | 0 | 0 | 0 | 110.3 | A529 V530 E531 R535 K536 N537 Y650 I655 | A529-I533 WeakPolarHBondContact O-CG1 2.97Å; A529-I533 PolarHBondContact O-N 3.45Å; V530-I533 WeakPolarHBondContact O-CB 3.13Å; V530-I533 PolarHBondContact O-N 3.46Å; V530-I533 VanDerWaalsContact O-N 3.11Å; E531-I533 VanDerWaalsContact C-N 3.34Å; E531-I533 PolarHBondContact O-N 3.28Å; I533-R535 PolarHBondContact O-N 2.98Å; I533-K536 PolarHBondContact O-N 2.99Å; I533-N537 PolarHBondContact O-N 3.26Å; I533-N537 PolarHBondContact O-OD1 2.99Å; I533-Y650 HydrophobicContact CD1-CD2 4.21Å; I533-I655 HydrophobicContact CG2-CD1 4.21Å; I533-I655 HydrophobicContact CG2-CG2 4.28Å |
| 534 | V | 96.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 179.3 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | V530 E531 K536 N537 E538 I655 A659 L662 | V530-V534 HydrophobicContact CG1-CG2 4.17Å; V530-V534 WeakPolarHBondContact O-CG2 3.46Å; V530-V534 PolarHBondContact O-N 3.48Å; E531-V534 PolarHBondContact O-N 2.99Å; V534-K536 VanDerWaalsContact C-N 3.35Å; V534-K536 PolarHBondContact O-N 2.83Å; V534-N537 PolarHBondContact O-N 2.9Å; V534-E538 WeakPolarHBondContact O-CG 3.26Å; V534-E538 PolarHBondContact O-N 3.41Å; V534-I655 HydrophobicContact CG2-CG2 3.8Å; V534-A659 HydrophobicContact CB-CB 4.35Å; V534-A659 HydrophobicContact CG1-CB 3.59Å; V534-A659 HydrophobicContact CG2-CB 3.73Å; V534-L662 HydrophobicContact CG1-CD2 4.28Å |
| 535 | R | 96.3 | Very high | 95.5 | Very high | 91 Ų | 91 | 64 Ų | 64 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.1 | -35.9 | -179.2 | -67.9 | -74.8 | 176.9 | 54.2 | 10.1 | 112.4 | E531 L532 I533 E538 Q539 D666 | E531-R535 HydrophobicContact CG-CG 4.16Å; E531-R535 WeakPolarHBondContact O-CB 3.41Å; E531-R535 WeakPolarHBondContact O-CG 3.44Å; E531-R535 PolarHBondContact O-N 3.37Å; E531-R535 IonicContact OE1-CZ 3.29Å; E531-R535 IonicContact OE1-NH1 2.74Å; E531-R535 PolarHBondContact OE1-NH1 3.28Å; E531-R535 IonicContact OE1-NH2 3.76Å; E531-R535 PolarHBondContact OE1-NH2 3.37Å; L532-R535 PolarHBondContact O-N 3.5Å; I533-R535 PolarHBondContact O-N 2.98Å; R535-E538 PolarHBondContact O-N 3.43Å; R535-Q539 WeakPolarHBondContact O-CB 3.28Å; R535-Q539 PolarHBondContact O-N 2.91Å; R535-D666 IonicContact CZ-OD2 2.76Å; R535-D666 IonicContact NH2-OD1 3.18Å; R535-D666 IonicContact NH2-OD2 2.68Å; R535-D666 PolarHBondContact NH2-OD2 3.3Å |
| 536 | K | 95.6 | Very high | 95.3 | Very high | 132 Ų | 132 | 66.5 Ų | 66.5 | 57% | 0.574 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.7 | -48.4 | 172 | -178.3 | 177.5 | 173.5 | -179.4 | 0 | 110.9 | L532 I533 V534 E538 Q539 E540 | L532-K536 WeakPolarHBondContact O-CB 3.46Å; L532-K536 PolarHBondContact O-N 3.1Å; I533-K536 PolarHBondContact O-N 2.99Å; V534-K536 VanDerWaalsContact C-N 3.35Å; V534-K536 PolarHBondContact O-N 2.83Å; K536-E538 VanDerWaalsContact C-N 3.31Å; K536-E538 PolarHBondContact O-N 3.12Å; K536-Q539 PolarHBondContact O-N 2.93Å; K536-E540 WeakPolarHBondContact CE-OE1 3.46Å; K536-E540 WeakPolarHBondContact CG-OE1 3.37Å; K536-E540 WeakPolarHBondContact O-CG 3.2Å; K536-E540 PolarHBondContact O-N 2.86Å |
| 537 | N | 93.9 | Very high | 95.2 | Very high | 73 Ų | 73 | 68.2 Ų | 68.2 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 177.9 | -66.5 | -7.6 | 0 | 0 | 0 | 111.9 | I533 V534 A541 | I533-N537 PolarHBondContact O-N 3.26Å; I533-N537 PolarHBondContact O-OD1 2.99Å; V534-N537 PolarHBondContact O-N 2.9Å; N537-A541 VanDerWaalsContact O-CB 3.32Å; N537-A541 WeakPolarHBondContact O-CB 3.38Å; N537-A541 PolarHBondContact O-N 3.13Å |
| 538 | E | 92.5 | Very high | 94.8 | Very high | 52 Ų | 52 | 72 Ų | 72 | 24% | 0.243 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.8 | -75.5 | 176.5 | 171.6 | 0 | 0 | 112.7 | V534 R535 K536 A541 L542 R663 | V534-E538 WeakPolarHBondContact O-CG 3.26Å; V534-E538 PolarHBondContact O-N 3.41Å; R535-E538 PolarHBondContact O-N 3.43Å; K536-E538 VanDerWaalsContact C-N 3.31Å; K536-E538 PolarHBondContact O-N 3.12Å; E538-A541 PolarHBondContact O-N 3.02Å; E538-L542 WeakPolarHBondContact O-CB 3.41Å; E538-L542 PolarHBondContact O-N 3.14Å; E538-R663 IonicContact OE1-CZ 3.46Å; E538-R663 IonicContact OE1-NE 2.81Å; E538-R663 PolarHBondContact OE1-NE 3.24Å; E538-R663 IonicContact OE1-NH2 3.73Å; E538-R663 PolarHBondContact OE1-NH2 3.1Å |
| 539 | Q | 94.6 | Very high | 94.5 | Very high | 112 Ų | 112 | 73.9 Ų | 73.9 | 52% | 0.523 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 177.3 | -175.8 | 63.5 | 19.7 | 0 | 0 | 111.2 | R535 K536 L542 T543 | R535-Q539 WeakPolarHBondContact O-CB 3.28Å; R535-Q539 PolarHBondContact O-N 2.91Å; K536-Q539 PolarHBondContact O-N 2.93Å; Q539-L542 PolarHBondContact O-N 3.22Å; Q539-T543 WeakPolarHBondContact O-CG2 3.25Å; Q539-T543 PolarHBondContact O-N 2.7Å; Q539-T543 PolarHBondContact O-OG1 2.65Å |
| 540 | E | 95.3 | Very high | 94 | Very high | 100 Ų | 100 | 80 Ų | 80 | 47% | 0.467 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 175.8 | -73.3 | 174.7 | -175.5 | 0 | 0 | 110.9 | K536 L542 T543 E544 | K536-E540 WeakPolarHBondContact CE-OE1 3.46Å; K536-E540 WeakPolarHBondContact CG-OE1 3.37Å; K536-E540 WeakPolarHBondContact O-CG 3.2Å; K536-E540 PolarHBondContact O-N 2.86Å; E540-L542 VanDerWaalsContact C-N 3.32Å; E540-L542 PolarHBondContact O-N 2.92Å; E540-T543 WeakPolarHBondContact CA-OG1 3.48Å; E540-T543 PolarHBondContact O-N 2.85Å; E540-T543 VanDerWaalsContact O-N 3.15Å; E540-T543 PolarHBondContact O-OG1 3.09Å; E540-E544 PolarHBondContact O-N 2.78Å |
| 541 | A | 93.8 | Very high | 93.5 | Very high | 57 Ų | 57 | 84.5 Ų | 84.5 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N537 E538 E544 A545 | N537-A541 VanDerWaalsContact O-CB 3.32Å; N537-A541 WeakPolarHBondContact O-CB 3.38Å; N537-A541 PolarHBondContact O-N 3.13Å; E538-A541 PolarHBondContact O-N 3.02Å; A541-E544 PolarHBondContact O-N 3.17Å; A541-A545 WeakPolarHBondContact O-CB 3.39Å; A541-A545 PolarHBondContact O-N 3.38Å |
| 542 | L | 94.1 | Very high | 92.7 | Very high | 81 Ų | 81 | 92.6 Ų | 92.6 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 176.1 | -178.6 | 63.5 | 0 | 0 | 0 | 112 | E538 Q539 E540 E544 A545 K546 | E538-L542 WeakPolarHBondContact O-CB 3.41Å; E538-L542 PolarHBondContact O-N 3.14Å; Q539-L542 PolarHBondContact O-N 3.22Å; E540-L542 VanDerWaalsContact C-N 3.32Å; E540-L542 PolarHBondContact O-N 2.92Å; L542-E544 VanDerWaalsContact C-N 3.35Å; L542-A545 PolarHBondContact O-N 3.41Å; L542-K546 HydrophobicContact CG-CD 4.44Å; L542-K546 WeakPolarHBondContact O-CB 3.45Å; L542-K546 VanDerWaalsContact O-CG 3.31Å; L542-K546 WeakPolarHBondContact O-CG 3.32Å; L542-K546 PolarHBondContact O-N 3.44Å |
| 543 | T | 94.5 | Very high | 91.7 | Very high | 74 Ų | 74 | 93.2 Ų | 93.2 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 176.3 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | Q539 E540 K546 R547 | Q539-T543 WeakPolarHBondContact O-CG2 3.25Å; Q539-T543 PolarHBondContact O-N 2.7Å; Q539-T543 PolarHBondContact O-OG1 2.65Å; E540-T543 WeakPolarHBondContact CA-OG1 3.48Å; E540-T543 PolarHBondContact O-N 2.85Å; E540-T543 VanDerWaalsContact O-N 3.15Å; E540-T543 PolarHBondContact O-OG1 3.09Å; T543-K546 PolarHBondContact O-N 3.27Å; T543-R547 WeakPolarHBondContact O-CB 3.26Å; T543-R547 PolarHBondContact O-N 3.28Å |
| 544 | E | 93.8 | Very high | 90.6 | Very high | 104 Ų | 104 | 95.1 Ų | 95.1 | 49% | 0.486 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 175.6 | -178.1 | 155.1 | -141.2 | 0 | 0 | 111.8 | E540 A541 L542 K546 R547 L548 | E540-E544 PolarHBondContact O-N 2.78Å; A541-E544 PolarHBondContact O-N 3.17Å; L542-E544 VanDerWaalsContact C-N 3.35Å; E544-K546 VanDerWaalsContact C-N 3.33Å; E544-K546 PolarHBondContact O-N 2.93Å; E544-R547 WeakPolarHBondContact O-CB 3.31Å; E544-R547 PolarHBondContact O-N 3.29Å; E544-R547 IonicContact OE1-NH2 3.36Å; E544-R547 PolarHBondContact OE1-NH2 3.04Å; E544-L548 HydrophobicContact CG-CD1 4.06Å; E544-L548 HydrophobicContact CG-CG 4.45Å; E544-L548 WeakPolarHBondContact O-CB 3.38Å; E544-L548 WeakPolarHBondContact O-CG 3.49Å; E544-L548 PolarHBondContact O-N 3.24Å |
| 545 | A | 93.6 | Very high | 88.8 | Confident | 54 Ų | 54 | 99.8 Ų | 99.8 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A541 L542 L548 N549 | A541-A545 WeakPolarHBondContact O-CB 3.39Å; A541-A545 PolarHBondContact O-N 3.38Å; L542-A545 PolarHBondContact O-N 3.41Å; A545-L548 PolarHBondContact O-N 2.86Å; A545-N549 WeakPolarHBondContact O-CB 3.4Å; A545-N549 PolarHBondContact O-N 2.99Å |
| 546 | K | 93.5 | Very high | 86.9 | Confident | 129 Ų | 129 | 106 Ų | 106 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.9 | -41.2 | 174.6 | -74.8 | 174 | -179.2 | 177.2 | 0 | 112.1 | L542 T543 E544 N549 K550 | L542-K546 HydrophobicContact CG-CD 4.44Å; L542-K546 WeakPolarHBondContact O-CB 3.45Å; L542-K546 VanDerWaalsContact O-CG 3.31Å; L542-K546 WeakPolarHBondContact O-CG 3.32Å; L542-K546 PolarHBondContact O-N 3.44Å; T543-K546 PolarHBondContact O-N 3.27Å; E544-K546 VanDerWaalsContact C-N 3.33Å; E544-K546 PolarHBondContact O-N 2.93Å; K546-N549 PolarHBondContact O-N 3.44Å; K546-K550 WeakPolarHBondContact O-CB 3.41Å; K546-K550 PolarHBondContact O-N 3.5Å |
| 547 | R | 93 | Very high | 84.6 | Confident | 119 Ų | 119 | 103.9 Ų | 103.9 | 45% | 0.449 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -50 | 175.8 | -175.6 | -177.6 | 68.6 | 88.3 | -4.6 | 111.1 | T543 E544 N549 K550 E551 | T543-R547 WeakPolarHBondContact O-CB 3.26Å; T543-R547 PolarHBondContact O-N 3.28Å; E544-R547 WeakPolarHBondContact O-CB 3.31Å; E544-R547 PolarHBondContact O-N 3.29Å; E544-R547 IonicContact OE1-NH2 3.36Å; E544-R547 PolarHBondContact OE1-NH2 3.04Å; R547-N549 VanDerWaalsContact C-N 3.32Å; R547-N549 PolarHBondContact O-N 3.22Å; R547-K550 PolarHBondContact O-N 3.05Å; R547-E551 WeakPolarHBondContact CG-OE1 3.15Å; R547-E551 IonicContact CZ-OE1 2.86Å; R547-E551 IonicContact NH1-OE1 3.84Å; R547-E551 PolarHBondContact NH1-OE1 2.66Å; R547-E551 IonicContact NH1-OE2 2.72Å; R547-E551 PolarHBondContact NH1-OE2 2.88Å; R547-E551 WeakPolarHBondContact O-CG 3.45Å; R547-E551 PolarHBondContact O-N 3.43Å |
| 548 | L | 89.8 | Confident | 82.3 | Confident | 80 Ų | 80 | 109.3 Ų | 109.3 | 42% | 0.419 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 177.9 | -72.2 | 169.4 | 0 | 0 | 0 | 112.2 | E544 A545 E551 R552 | E544-L548 HydrophobicContact CG-CD1 4.06Å; E544-L548 HydrophobicContact CG-CG 4.45Å; E544-L548 WeakPolarHBondContact O-CB 3.38Å; E544-L548 WeakPolarHBondContact O-CG 3.49Å; E544-L548 PolarHBondContact O-N 3.24Å; A545-L548 PolarHBondContact O-N 2.86Å; L548-E551 PolarHBondContact O-N 3.42Å; L548-R552 WeakPolarHBondContact O-CB 3.32Å; L548-R552 WeakPolarHBondContact O-CG 3.48Å; L548-R552 PolarHBondContact O-N 3.3Å |
| 549 | N | 90.5 | Very high | 79.8 | Confident | 98 Ų | 98 | 112.8 Ų | 112.8 | 52% | 0.524 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67 | -41.3 | 176.6 | -166 | 27.7 | 0 | 0 | 0 | 111.9 | A545 K546 R547 R552 L553 | A545-N549 WeakPolarHBondContact O-CB 3.4Å; A545-N549 PolarHBondContact O-N 2.99Å; K546-N549 PolarHBondContact O-N 3.44Å; R547-N549 VanDerWaalsContact C-N 3.32Å; R547-N549 PolarHBondContact O-N 3.22Å; N549-R552 PolarHBondContact O-N 3.18Å; N549-L553 WeakPolarHBondContact O-CG 3.45Å; N549-L553 PolarHBondContact O-N 3.15Å |
| 550 | K | 88.6 | Confident | 77.3 | Confident | 147 Ų | 147 | 113.2 Ų | 113.2 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.7 | -44 | 174.3 | -174.7 | 179.2 | 177.9 | -178.5 | 0 | 111.7 | K546 R547 R552 L553 C554 | K546-K550 WeakPolarHBondContact O-CB 3.41Å; K546-K550 PolarHBondContact O-N 3.5Å; R547-K550 PolarHBondContact O-N 3.05Å; K550-R552 PolarHBondContact O-N 3.13Å; K550-L553 PolarHBondContact O-N 3.03Å; K550-C554 PolarHBondContact O-N 2.93Å; K550-C554 PolarHBondContact O-SG 3.32Å; K550-C554 VanDerWaalsContact O-SG 3.36Å |
| 551 | E | 85.2 | Confident | 74.5 | Confident | 96 Ų | 96 | 113.5 Ų | 113.5 | 45% | 0.449 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.4 | -38.9 | 176.6 | -72.6 | 170.6 | -169.6 | 0 | 0 | 112.2 | R547 L548 C554 S555 | R547-E551 WeakPolarHBondContact CG-OE1 3.15Å; R547-E551 IonicContact CZ-OE1 2.86Å; R547-E551 IonicContact NH1-OE1 3.84Å; R547-E551 PolarHBondContact NH1-OE1 2.66Å; R547-E551 IonicContact NH1-OE2 2.72Å; R547-E551 PolarHBondContact NH1-OE2 2.88Å; R547-E551 WeakPolarHBondContact O-CG 3.45Å; R547-E551 PolarHBondContact O-N 3.43Å; L548-E551 PolarHBondContact O-N 3.42Å; E551-C554 PolarHBondContact O-N 3.47Å; E551-S555 PolarHBondContact O-N 3.3Å; E551-S555 PolarHBondContact O-OG 2.85Å |
| 552 | R | 79.4 | Confident | 71.9 | Confident | 189 Ų | 189 | 114.1 Ų | 114.1 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.5 | -35.5 | 174.1 | -78.1 | -178.8 | 175.8 | -166.1 | -0.1 | 113.6 | L548 N549 K550 S555 | L548-R552 WeakPolarHBondContact O-CB 3.32Å; L548-R552 WeakPolarHBondContact O-CG 3.48Å; L548-R552 PolarHBondContact O-N 3.3Å; N549-R552 PolarHBondContact O-N 3.18Å; K550-R552 PolarHBondContact O-N 3.13Å; R552-S555 PolarHBondContact O-OG 2.91Å |
| 553 | L | 75 | Confident | 69.2 | Low | 115 Ų | 115 | 119.4 Ų | 119.4 | 60% | 0.602 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71 | -41.7 | 175.7 | -75.5 | 161.9 | 0 | 0 | 0 | 111.1 | N549 K550 S555 R556 | N549-L553 WeakPolarHBondContact O-CG 3.45Å; N549-L553 PolarHBondContact O-N 3.15Å; K550-L553 PolarHBondContact O-N 3.03Å; L553-S555 VanDerWaalsContact C-N 3.26Å; L553-S555 PolarHBondContact O-N 3.2Å; L553-R556 PolarHBondContact O-N 3.4Å |
| 554 | C | 72.9 | Confident | 66.3 | Low | 90 Ų | 90 | 124 Ų | 124 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.5 | -27 | 177.1 | -71.4 | 0 | 0 | 0 | 0 | 113.5 | K550 E551 | K550-C554 PolarHBondContact O-N 2.93Å; K550-C554 PolarHBondContact O-SG 3.32Å; K550-C554 VanDerWaalsContact O-SG 3.36Å; E551-C554 PolarHBondContact O-N 3.47Å |
| 555 | S | 59.9 | Low | 63.2 | Low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -8 | 178.3 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | E551 R552 L553 | E551-S555 PolarHBondContact O-N 3.3Å; E551-S555 PolarHBondContact O-OG 2.85Å; R552-S555 PolarHBondContact O-OG 2.91Å; L553-S555 VanDerWaalsContact C-N 3.26Å; L553-S555 PolarHBondContact O-N 3.2Å |
| 556 | R | 54.7 | Low | 60.4 | Low | 223 Ų | 223 | 130.9 Ų | 130.9 | 84% | 0.842 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -114.4 | 9.3 | -176.7 | -156.9 | 138.4 | 68.6 | 136 | 2.1 | 115.7 | L553 E558 | L553-R556 PolarHBondContact O-N 3.4Å; R556-E558 PolarHBondContact O-N 3.43Å |
| 557 | S | 48.8 | Very low | 57.2 | Low | 87 Ų | 87 | 129.4 Ų | 129.4 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | trans | -93.8 | 73.5 | 173.8 | 65.5 | 0 | 0 | 0 | 0 | 112.4 | T559 | S557-T559 VanDerWaalsContact C-N 3.35Š| ||
| 558 | E | 45.6 | Very low | 54.3 | Low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | trans | -93.2 | 74.9 | 144.2 | -77 | -172.3 | 179.3 | 0 | 0 | 107.3 | R556 | R556-E558 PolarHBondContact O-N 3.43Š| ||
| 559 | T | 39.8 | Very low | 51.4 | Low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 170.6 | 145.3 | 150.3 | 30.7 | 0 | 0 | 0 | 0 | 109.6 | S557 | S557-T559 VanDerWaalsContact C-N 3.35Š|
| 560 | P | 41.5 | Very low | 48.6 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -87 | 141.1 | -151.8 | 13.4 | 0.7 | 0 | 0 | 0 | 113.7 | A562 | P560-A562 PolarHBondContact O-N 2.75Å; P560-A562 VanDerWaalsContact O-N 3.08Å | ||
| 561 | A | 37.7 | Very low | 45.9 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 88% | 0.884 | 74% | 0.743 | S | S | * | * | trans | -17.3 | 95.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 562 | A | 38.9 | Very low | 43.2 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 58% | 0.579 | 76% | 0.76 | S | S | * | * | trans | -110.9 | 122.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 107 | P560 F564 | P560-A562 PolarHBondContact O-N 2.75Å; P560-A562 VanDerWaalsContact O-N 3.08Å; A562-F564 VanDerWaalsContact C-N 3.27Å; A562-F564 HydrophobicContact CB-CD2 4.12Å; A562-F564 HydrophobicContact CB-CE2 4.18Å; A562-F564 PolarHBondContact O-N 3.18Å | ||
| 563 | E | 36.4 | Very low | 41 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -60.5 | 78 | -178.2 | -63.3 | 174 | 152.6 | 0 | 0 | 111.7 | N565 | E563-N565 PolarHBondContact O-N 2.63Š| ||
| 564 | F | 32.9 | Very low | 38.8 | Very low | 171 Ų | 171 | 137 Ų | 137 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | -89.6 | 89.6 | 171.2 | -87.9 | -86.8 | 0 | 0 | 0 | 109.4 | A562 L566 | A562-F564 VanDerWaalsContact C-N 3.27Å; A562-F564 HydrophobicContact CB-CD2 4.12Å; A562-F564 HydrophobicContact CB-CE2 4.18Å; A562-F564 PolarHBondContact O-N 3.18Å; F564-L566 VanDerWaalsContact C-N 3.28Å; F564-L566 HydrophobicContact CD1-CD1 4.3Å; F564-L566 PolarHBondContact O-N 2.99Å | ||
| 565 | N | 30.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 90 | 158.5 | -84.7 | -49.4 | 0 | 0 | 0 | 108.7 | E563 | E563-N565 PolarHBondContact O-N 2.63Š| ||
| 566 | L | 33.7 | Very low | 35.3 | Very low | 137 Ų | 137 | 144 Ų | 144 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -110.9 | 109.8 | 168.6 | -93.8 | 156 | 0 | 0 | 0 | 109.4 | F564 N568 | F564-L566 VanDerWaalsContact C-N 3.28Å; F564-L566 HydrophobicContact CD1-CD1 4.3Å; F564-L566 PolarHBondContact O-N 2.99Å; L566-N568 PolarHBondContact O-N 3.46Å | ||
| 567 | S | 26.9 | Very low | 34.1 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -47.2 | 116.4 | 164.9 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | E569 | S567-E569 PolarHBondContact O-N 3.12Š| ||
| 568 | N | 32.3 | Very low | 33 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 31.9 | 59 | 137.2 | -137.8 | 43.1 | 0 | 0 | 0 | 117.2 | L566 V570 | L566-N568 PolarHBondContact O-N 3.46Å; N568-V570 PolarHBondContact O-N 3.32Å; N568-V570 VanDerWaalsContact O-N 3.16Å | ||
| 569 | E | 28.6 | Very low | 32.4 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 95.8 | 159.2 | -69.9 | -148.9 | 173.1 | 0 | 0 | 109.1 | S567 | S567-E569 PolarHBondContact O-N 3.12Š| ||
| 570 | V | 31.3 | Very low | 31.9 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -15.7 | 122.6 | 158.6 | 178.4 | 0 | 0 | 0 | 0 | 114.2 | N568 S572 | N568-V570 PolarHBondContact O-N 3.32Å; N568-V570 VanDerWaalsContact O-N 3.16Å; V570-S572 PolarHBondContact O-N 2.66Å | ||
| 571 | F | 32.1 | Very low | 31.1 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -30.4 | 112.6 | 159.9 | -65.2 | -91.1 | 0 | 0 | 0 | 112.7 | D573 | F571-D573 PolarHBondContact O-N 3.19Š| ||
| 572 | S | 29.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -79.3 | 104.9 | 159.7 | 53.6 | 0 | 0 | 0 | 0 | 108.5 | V570 S574 | V570-S572 PolarHBondContact O-N 2.66Å; S572-S574 PolarHBondContact O-N 2.87Å; S572-S574 VanDerWaalsContact O-N 3.14Å | ||
| 573 | D | 32.1 | Very low | 30.1 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -68.3 | 107.1 | 168.2 | -83.5 | -31 | 0 | 0 | 0 | 109.1 | F571 F575 | F571-D573 PolarHBondContact O-N 3.19Å; D573-F575 HydrophobicContact CB-CD2 4.1Å; D573-F575 HydrophobicContact CB-CE2 3.97Å; D573-F575 PolarHBondContact O-N 2.9Å; D573-F575 VanDerWaalsContact O-N 3.09Å | ||
| 574 | S | 29.1 | Very low | 29.6 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -74.6 | 83.6 | 172.3 | 169.9 | 0 | 0 | 0 | 0 | 109.7 | S572 | S572-S574 PolarHBondContact O-N 2.87Å; S572-S574 VanDerWaalsContact O-N 3.14Å | ||
| 575 | F | 31.9 | Very low | 29.3 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 79% | 0.789 | 79% | 0.785 | S | S | * | * | trans | -85.7 | 109.8 | 158.5 | -72.8 | -80.8 | 0 | 0 | 0 | 108.3 | D573 D577 | D573-F575 HydrophobicContact CB-CD2 4.1Å; D573-F575 HydrophobicContact CB-CE2 3.97Å; D573-F575 PolarHBondContact O-N 2.9Å; D573-F575 VanDerWaalsContact O-N 3.09Å; F575-D577 PolarHBondContact O-N 3.14Å | ||
| 576 | D | 27.4 | Very low | 28.9 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -59.4 | 103.5 | 164.8 | -76.6 | -40.7 | 0 | 0 | 0 | 108.7 | ||||
| 577 | D | 30.5 | Very low | 28.5 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -126.3 | 115.8 | 158 | -159.4 | -1.6 | 0 | 0 | 0 | 109.8 | F575 T579 | F575-D577 PolarHBondContact O-N 3.14Å; D577-T579 PolarHBondContact O-N 3.05Å | ||
| 578 | S | 26 | Very low | 28.3 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -97.9 | 75.9 | -178.4 | 45.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 579 | T | 32.7 | Very low | 28 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | trans | -136 | 98.5 | 168 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | D577 | D577-T579 PolarHBondContact O-N 3.05Š| ||
| 580 | Q | 28.4 | Very low | 27.9 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 8.7 | 111.7 | 150.6 | -63.4 | 173.9 | 11.4 | 0 | 0 | 119.6 | ||||
| 581 | S | 25 | Very low | 27.6 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 52.4 | 108.6 | 130.8 | 64.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 582 | S | 27.3 | Very low | 27.3 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | -179.2 | 155.8 | 120.5 | -82.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 583 | P | 28.6 | Very low | 27.1 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -105.2 | 155.8 | -142.4 | 38 | -32.8 | 0 | 0 | 0 | 117.5 | ||||
| 584 | A | 25.7 | Very low | 27 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -15.3 | 128.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 585 | I | 25.6 | Very low | 26.8 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -113.1 | 110.3 | 152.2 | -66 | 176.3 | 0 | 0 | 0 | 107.5 | ||||
| 586 | V | 23.4 | Very low | 26.7 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -91 | 129.1 | 172.1 | 171.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 587 | S | 25 | Very low | 26.7 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -147 | 96.2 | 159.8 | -155.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 588 | M | 22.3 | Very low | 26.7 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -78.1 | 120.5 | 166.8 | -68.9 | -157.5 | -72.7 | 0 | 0 | 108.9 | ||||
| 589 | R | 26.4 | Very low | 26.7 | Very low | 234 Ų | 234 | 137.3 Ų | 137.3 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -102.8 | 112.2 | 159.3 | -85.6 | -173.9 | -164.6 | 163.7 | 6.5 | 109 | ||||
| 590 | T | 26 | Very low | 26.6 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | -76.8 | 115.1 | 168.6 | 35.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 591 | C | 24.7 | Very low | 26.3 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -87 | 108.4 | 169.5 | -60.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 592 | S | 26 | Very low | 26.6 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -79.9 | 145.6 | 174.4 | -74.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 593 | S | 24.6 | Very low | 26.5 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -30 | 136.3 | 163.8 | 53.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 594 | N | 29.5 | Very low | 26.5 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -162.6 | 91.1 | 142.7 | -88.8 | -23.2 | 0 | 0 | 0 | 108.7 | ||||
| 595 | A | 25.2 | Very low | 26.4 | Very low | 110 Ų | 110 | 151 Ų | 151 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -90.2 | 111.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 596 | A | 31.5 | Very low | 26.4 | Very low | 84 Ų | 84 | 149.8 Ų | 149.8 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | trans | -139.4 | 119.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 597 | D | 26.8 | Very low | 26.5 | Very low | 137 Ų | 137 | 152.7 Ų | 152.7 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | 44.9 | 98.5 | 144.9 | -66.6 | -30.3 | 0 | 0 | 0 | 119.5 | ||||
| 598 | F | 30.4 | Very low | 26.5 | Very low | 222 Ų | 222 | 153.9 Ų | 153.9 | 97% | 0.974 | 83% | 0.828 | S | S | * | * | trans | -127.9 | 107.8 | 139.8 | -109.4 | -92.2 | 0 | 0 | 0 | 110.3 | ||||
| 599 | Q | 24.8 | Very low | 26.7 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 76% | 0.757 | 82% | 0.82 | S | S | * | * | trans | -82.4 | 162.7 | 173.8 | -75.8 | 166.8 | -37.5 | 0 | 0 | 112.2 | ||||
| 600 | K | 30.7 | Very low | 26.9 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | 102.6 | 96.1 | 164.4 | -65.6 | -177.3 | 173.5 | 176.1 | 0 | 115 | ||||
| 601 | E | 23.2 | Very low | 26.9 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | 65.3 | 103.7 | 85.7 | -79.9 | -173.4 | 158.3 | 0 | 0 | 113.4 | |||||
| 602 | K | 31 | Very low | 27 | Very low | 207 Ų | 207 | 147.1 Ų | 147.1 | 90% | 0.9 | 81% | 0.813 | S | S | * | * | -172 | 134.4 | 118.8 | -101 | 170 | -175.2 | -177.9 | 0 | 112.1 | |||||
| 603 | D | 25.5 | Very low | 26.9 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -50.3 | 134.3 | 179.3 | -61.9 | -78.7 | 0 | 0 | 0 | 115.4 | ||||
| 604 | C | 27.6 | Very low | 26.9 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | -149.6 | 112.3 | 133.4 | -131.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 605 | K | 24 | Very low | 26.6 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -74.9 | 117.5 | 177.9 | -67.3 | 169 | 177.2 | 172 | 0 | 109 | ||||
| 606 | T | 26.7 | Very low | 26.5 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -141.4 | 117.9 | 145.9 | 0.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 607 | H | 25.2 | Very low | 26.2 | Very low | 182 Ų | 182 | 151.6 Ų | 151.6 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -76 | 114.3 | -174.1 | -170.1 | -90.9 | 0 | 0 | 0 | 109.2 | ||||
| 608 | C | 24.6 | Very low | 26.2 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 91% | 0.905 | 83% | 0.828 | S | S | * | * | trans | -145.9 | 109.4 | 151.5 | -141.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 609 | S | 26.2 | Very low | 25.9 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 65% | 0.65 | 81% | 0.805 | S | S | * | * | trans | -104.3 | 124.2 | -176.9 | 173 | 0 | 0 | 0 | 0 | 108 | ||||
| 610 | L | 31.3 | Very low | 26 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 161.8 | 85.9 | 160.1 | -100.8 | 141.7 | 0 | 0 | 0 | 105.3 | ||||
| 611 | D | 26.5 | Very low | 25.7 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | 60.5 | 111.9 | 73.6 | -145 | 13.9 | 0 | 0 | 0 | 113.8 | |||||
| 612 | S | 26.4 | Very low | 25.8 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 48.7 | 108.3 | 144.3 | -163.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 613 | G | 22.9 | Very low | 25.5 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | 73.5 | 98.6 | 126.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 614 | Y | 25.6 | Very low | 25.6 | Very low | 241 Ų | 241 | 136.8 Ų | 136.8 | 95% | 0.945 | 81% | 0.809 | S | S | * | * | trans | -151.3 | 125.7 | 139.1 | -109.8 | -80 | 0 | 0 | 0 | 110.9 | G616 | Y614-G616 PolarHBondContact O-N 2.86Š| ||
| 615 | I | 23.1 | Very low | 25.5 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -63.7 | 119.4 | 167.6 | -65.9 | 162.3 | 0 | 0 | 0 | 107.3 | ||||
| 616 | G | 22.5 | Very low | 26.1 | Very low | 69 Ų | 69 | 135.7 Ų | 135.7 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 174.8 | 114 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y614 | Y614-G616 PolarHBondContact O-N 2.86Š| ||
| 617 | S | 25.4 | Very low | 26.6 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 76.8 | 83.1 | 160.7 | -114.7 | 0 | 0 | 0 | 0 | 117 | G619 | S617-G619 PolarHBondContact O-N 2.88Š| ||
| 618 | A | 26.2 | Very low | 27 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 98% | 0.975 | 78% | 0.776 | S | S | * | * | trans | -64.8 | 80.7 | 144 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 619 | G | 24.2 | Very low | 27.7 | Very low | 48 Ų | 48 | 131 Ų | 131 | 50% | 0.495 | 76% | 0.757 | S | S | . | * | trans | -109.5 | 135.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S617 | S617-G619 PolarHBondContact O-N 2.88Š| ||
| 620 | S | 26.5 | Very low | 28.4 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | trans | 84.3 | 36.9 | 171.3 | 81.1 | 0 | 0 | 0 | 0 | 118.7 | Q622 | S620-Q622 PolarHBondContact O-N 3.43Š| ||
| 621 | G | 25.7 | Very low | 28.8 | Very low | 75 Ų | 75 | 125.2 Ų | 125.2 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -73.4 | 100.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108 | K623 | G621-K623 PolarHBondContact O-N 2.95Š| ||
| 622 | Q | 25.2 | Very low | 29.6 | Very low | 192 Ų | 192 | 121.5 Ų | 121.5 | 90% | 0.897 | 71% | 0.706 | S | S | * | * | trans | -62.7 | 83.4 | 179.2 | -140.6 | 166.4 | -2.9 | 0 | 0 | 109.1 | S620 F624 | S620-Q622 PolarHBondContact O-N 3.43Å; Q622-F624 PolarHBondContact O-N 3.15Å; Q622-F624 VanDerWaalsContact O-N 3.11Å | ||
| 623 | K | 25.2 | Very low | 30.5 | Very low | 192 Ų | 192 | 122.6 Ų | 122.6 | 84% | 0.835 | 70% | 0.699 | S | S | * | * | trans | -69.1 | 108.6 | -178.4 | -158.5 | 174.2 | -173.9 | 178.4 | 0 | 107.1 | G621 T625 | G621-K623 PolarHBondContact O-N 2.95Å; K623-T625 PolarHBondContact O-N 3.22Å | ||
| 624 | F | 26.8 | Very low | 31.5 | Very low | 167 Ų | 167 | 124.7 Ų | 124.7 | 73% | 0.732 | 69% | 0.69 | S | S | * | * | trans | -51.3 | 115.1 | 179.9 | -120.4 | -100.4 | 0 | 0 | 0 | 109.5 | Q622 Y626 | Q622-F624 PolarHBondContact O-N 3.15Å; Q622-F624 VanDerWaalsContact O-N 3.11Å; F624-Y626 PolarHBondContact O-N 3.34Å; F624-Y626 VanDerWaalsContact O-N 3.1Å | ||
| 625 | T | 26.3 | Very low | 32.4 | Very low | 128 Ų | 128 | 119.1 Ų | 119.1 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -79.6 | 86.5 | 176.1 | 50.4 | 0 | 0 | 0 | 0 | 107.7 | K623 E627 | K623-T625 PolarHBondContact O-N 3.22Å; T625-E627 PolarHBondContact O-N 3.05Å | ||
| 626 | Y | 35.6 | Very low | 33.5 | Very low | 165 Ų | 165 | 117 Ų | 117 | 65% | 0.647 | 66% | 0.658 | S | S | * | * | trans | -61.1 | 131.4 | 152.6 | -121.1 | -89.1 | 0 | 0 | 0 | 106.4 | F624 K628 | F624-Y626 PolarHBondContact O-N 3.34Å; F624-Y626 VanDerWaalsContact O-N 3.1Å; Y626-K628 PolarHBondContact O-N 2.89Å | ||
| 627 | E | 37.1 | Very low | 34.4 | Very low | 140 Ų | 140 | 120.6 Ų | 120.6 | 65% | 0.654 | 66% | 0.656 | S | S | * | * | trans | -33.4 | 96.3 | -175.3 | -84.4 | 166 | 144.9 | 0 | 0 | 112 | T625 S629 A630 | T625-E627 PolarHBondContact O-N 3.05Å; E627-S629 PolarHBondContact O-N 2.85Å; E627-A630 PolarHBondContact O-N 2.9Å | ||
| 628 | K | 33.7 | Very low | 34.8 | Very low | 149 Ų | 149 | 119.3 Ų | 119.3 | 65% | 0.648 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -52 | -26.6 | 168.3 | -135 | -177.5 | 176.6 | -158.6 | 0 | 110.1 | Y626 A630 L631 E632 | Y626-K628 PolarHBondContact O-N 2.89Å; K628-A630 PolarHBondContact O-N 2.85Å; K628-L631 PolarHBondContact O-N 3.03Å; K628-E632 WeakPolarHBondContact CD-OE1 3.42Å; K628-E632 WeakPolarHBondContact O-CB 3.46Å; K628-E632 WeakPolarHBondContact O-CG 3.25Å; K628-E632 PolarHBondContact O-N 2.95Å |
| 629 | S | 39 | Very low | 35.3 | Very low | 73 Ų | 73 | 119.1 Ų | 119.1 | 51% | 0.51 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -56.4 | -42.3 | 172.4 | -72 | 0 | 0 | 0 | 0 | 114.8 | E627 E632 E633 | E627-S629 PolarHBondContact O-N 2.85Å; S629-E632 PolarHBondContact O-N 2.7Å; S629-E633 VanDerWaalsContact O-CB 3.32Å; S629-E633 WeakPolarHBondContact O-CB 3.32Å; S629-E633 WeakPolarHBondContact O-CG 3.23Å; S629-E633 PolarHBondContact O-N 3Å |
| 630 | A | 41.3 | Very low | 35.9 | Very low | 56 Ų | 56 | 121.6 Ų | 121.6 | 46% | 0.463 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.7 | -36.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E627 K628 F634 | E627-A630 PolarHBondContact O-N 2.9Å; K628-A630 PolarHBondContact O-N 2.85Å; A630-F634 PolarHBondContact O-N 3.39Å |
| 631 | L | 39.1 | Very low | 36 | Very low | 83 Ų | 83 | 119.1 Ų | 119.1 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.1 | -40.4 | 173 | -84.1 | 152 | 0 | 0 | 0 | 111.8 | L532 K628 F634 E635 | L532-L631 HydrophobicContact CD1-CD2 4.07Å; K628-L631 PolarHBondContact O-N 3.03Å; L631-F634 PolarHBondContact O-N 3.05Å; L631-E635 PolarHBondContact O-N 3.48Å |
| 632 | E | 42.8 | Very low | 36.2 | Very low | 69 Ų | 69 | 121.3 Ų | 121.3 | 32% | 0.322 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.6 | -30.5 | 175.7 | -75.6 | 177 | -164.9 | 0 | 0 | 112.1 | K628 S629 K636 | K628-E632 WeakPolarHBondContact CD-OE1 3.42Å; K628-E632 WeakPolarHBondContact O-CB 3.46Å; K628-E632 WeakPolarHBondContact O-CG 3.25Å; K628-E632 PolarHBondContact O-N 2.95Å; S629-E632 PolarHBondContact O-N 2.7Å; E632-K636 WeakPolarHBondContact O-CB 3.04Å; E632-K636 WeakPolarHBondContact O-CG 3.19Å; E632-K636 PolarHBondContact O-N 2.95Å |
| 633 | E | 47.3 | Very low | 36.6 | Very low | 130 Ų | 130 | 116.5 Ų | 116.5 | 61% | 0.607 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.3 | -40.9 | 171.3 | -86 | 177.4 | 170.4 | 0 | 0 | 110.9 | S629 K636 E637 | S629-E633 VanDerWaalsContact O-CB 3.32Å; S629-E633 WeakPolarHBondContact O-CB 3.32Å; S629-E633 WeakPolarHBondContact O-CG 3.23Å; S629-E633 PolarHBondContact O-N 3Å; E633-K636 PolarHBondContact O-N 3.46Å; E633-E637 PolarHBondContact O-N 2.81Å |
| 634 | F | 42.5 | Very low | 37.1 | Very low | 105 Ų | 105 | 112.9 Ų | 112.9 | 46% | 0.461 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.1 | -38.3 | 175.6 | -151.3 | -96.3 | 0 | 0 | 0 | 112.7 | A630 L631 K636 E637 T638 | A630-F634 PolarHBondContact O-N 3.39Å; L631-F634 PolarHBondContact O-N 3.05Å; F634-K636 VanDerWaalsContact C-N 3.34Å; F634-E637 PolarHBondContact O-N 2.96Å; F634-T638 PolarHBondContact O-N 3.32Å; F634-T638 VanDerWaalsContact O-N 3.09Å; F634-T638 PolarHBondContact O-OG1 3.46Å |
| 635 | E | 45.8 | Very low | 37.7 | Very low | 124 Ų | 124 | 113.7 Ų | 113.7 | 58% | 0.579 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.5 | -33.8 | 171.6 | -78.8 | -172.5 | 168.8 | 0 | 0 | 112.2 | L631 T638 T639 | L631-E635 PolarHBondContact O-N 3.48Å; E635-T638 VanDerWaalsContact CA-OG1 3.29Å; E635-T638 WeakPolarHBondContact CA-OG1 3.47Å; E635-T638 PolarHBondContact O-N 3.06Å; E635-T638 PolarHBondContact O-OG1 3.26Å; E635-T639 WeakPolarHBondContact O-CB 3.19Å; E635-T639 PolarHBondContact O-N 3.14Å; E635-T639 PolarHBondContact O-OG1 3.43Å |
| 636 | K | 45.3 | Very low | 38.3 | Very low | 130 Ų | 130 | 110.6 Ų | 110.6 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.8 | -39.6 | 175.6 | -81.1 | 171.6 | -175.8 | 165 | 0 | 112.1 | E632 E633 F634 T638 T639 S640 | E632-K636 WeakPolarHBondContact O-CB 3.04Å; E632-K636 WeakPolarHBondContact O-CG 3.19Å; E632-K636 PolarHBondContact O-N 2.95Å; E633-K636 PolarHBondContact O-N 3.46Å; F634-K636 VanDerWaalsContact C-N 3.34Å; K636-T638 PolarHBondContact O-N 3.12Å; K636-T639 WeakPolarHBondContact CA-OG1 3.28Å; K636-T639 PolarHBondContact O-N 2.88Å; K636-S640 WeakPolarHBondContact O-CB 3.49Å; K636-S640 PolarHBondContact O-N 2.72Å; K636-S640 PolarHBondContact O-OG 3Å |
| 637 | E | 41.7 | Very low | 38.7 | Very low | 144 Ų | 144 | 108.7 Ų | 108.7 | 67% | 0.673 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.4 | -32.9 | 172.8 | -76.2 | -173.4 | 168.8 | 0 | 0 | 111.5 | E633 F634 | E633-E637 PolarHBondContact O-N 2.81Å; F634-E637 PolarHBondContact O-N 2.96Å |
| 638 | T | 34.2 | Very low | 39.4 | Very low | 94 Ų | 94 | 105.8 Ų | 105.8 | 58% | 0.577 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -80.4 | -28.2 | 173.7 | 32.9 | 0 | 0 | 0 | 0 | 114.5 | F634 E635 K636 | F634-T638 PolarHBondContact O-N 3.32Å; F634-T638 VanDerWaalsContact O-N 3.09Å; F634-T638 PolarHBondContact O-OG1 3.46Å; E635-T638 VanDerWaalsContact CA-OG1 3.29Å; E635-T638 WeakPolarHBondContact CA-OG1 3.47Å; E635-T638 PolarHBondContact O-N 3.06Å; E635-T638 PolarHBondContact O-OG1 3.26Å; K636-T638 PolarHBondContact O-N 3.12Å |
| 639 | T | 35.5 | Very low | 41.4 | Very low | 113 Ų | 113 | 102.5 Ų | 102.5 | 69% | 0.693 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -88.3 | -17.5 | 179.4 | 44.8 | 0 | 0 | 0 | 0 | 114.6 | E635 K636 | E635-T639 WeakPolarHBondContact O-CB 3.19Å; E635-T639 PolarHBondContact O-N 3.14Å; E635-T639 PolarHBondContact O-OG1 3.43Å; K636-T639 WeakPolarHBondContact CA-OG1 3.28Å; K636-T639 PolarHBondContact O-N 2.88Å |
| 640 | S | 36.5 | Very low | 43.8 | Very low | 101 Ų | 101 | 100.5 Ų | 100.5 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -83.7 | -2.9 | 176 | 70.7 | 0 | 0 | 0 | 0 | 115.6 | K636 | K636-S640 WeakPolarHBondContact O-CB 3.49Å; K636-S640 PolarHBondContact O-N 2.72Å; K636-S640 PolarHBondContact O-OG 3Å |
| 641 | S | 29.9 | Very low | 46.2 | Very low | 71 Ų | 71 | 101.9 Ų | 101.9 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | trans | -106.3 | 85 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | T643 | S641-T643 PolarHBondContact O-N 2.94Å; S641-T643 PolarHBondContact OG-OG1 3.43Å | ||
| 642 | S | 28.9 | Very low | 48.7 | Very low | 121 Ų | 121 | 105.4 Ų | 105.4 | 85% | 0.846 | 61% | 0.611 | S | S | * | * | trans | -67.8 | 76.9 | 168.4 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 643 | T | 33.6 | Very low | 51.1 | Low | 92 Ų | 92 | 109.8 Ų | 109.8 | 56% | 0.564 | 63% | 0.632 | S | S | * | * | trans | -141.7 | 117 | 163.1 | 31.8 | 0 | 0 | 0 | 0 | 106.3 | S641 E645 G646 | S641-T643 PolarHBondContact O-N 2.94Å; S641-T643 PolarHBondContact OG-OG1 3.43Å; T643-E645 PolarHBondContact O-N 3.44Å; T643-G646 PolarHBondContact O-N 3.14Å | ||
| 644 | A | 36.9 | Very low | 53.3 | Low | 116 Ų | 116 | 105.9 Ų | 105.9 | 96% | 0.959 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 21.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 645 | E | 39.7 | Very low | 55.8 | Low | 184 Ų | 184 | 101.4 Ų | 101.4 | 86% | 0.86 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 27.8 | 176.4 | -69.4 | -177.7 | 157.1 | 0 | 0 | 111.2 | T643 V647 | T643-E645 PolarHBondContact O-N 3.44Å; E645-V647 VanDerWaalsContact C-N 3.3Å; E645-V647 PolarHBondContact O-N 3.48Å |
| 646 | G | 38.9 | Very low | 58.1 | Low | 63 Ų | 63 | 98.9 Ų | 98.9 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | trans | -58.4 | 87.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T643 C648 | T643-G646 PolarHBondContact O-N 3.14Å; G646-C648 PolarHBondContact O-N 3.47Å | ||
| 647 | V | 43.4 | Very low | 60.5 | Low | 125 Ų | 125 | 95.4 Ų | 95.4 | 76% | 0.758 | 57% | 0.574 | S | S | * | * | trans | -10.3 | 106.5 | 165.6 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | E645 A649 | E645-V647 VanDerWaalsContact C-N 3.3Å; E645-V647 PolarHBondContact O-N 3.48Å; V647-A649 PolarHBondContact O-N 3.02Å | ||
| 648 | C | 51.8 | Low | 63.1 | Low | 78 Ų | 78 | 88.6 Ų | 88.6 | 53% | 0.527 | 54% | 0.542 | S | S | . | . | trans | -57 | 107.6 | 157.5 | -175.5 | 0 | 0 | 0 | 0 | 106.2 | G646 Y650 | G646-C648 PolarHBondContact O-N 3.47Å; C648-Y650 PolarHBondContact O-N 2.89Å; C648-Y650 PolarHBondContact SG-O 3.27Å | ||
| 649 | A | 76.2 | Confident | 66.1 | Low | 81 Ų | 81 | 84.6 Ų | 84.6 | 67% | 0.669 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -56.7 | -21.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V647 | V647-A649 PolarHBondContact O-N 3.02Š|
| 650 | Y | 88.3 | Confident | 68.9 | Low | 30 Ų | 30 | 86.2 Ų | 86.2 | 12% | 0.118 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -105.2 | 134.9 | 178.9 | -55.8 | -70.7 | 0 | 0 | 0 | 111.4 | H526 A529 V530 I533 C648 L654 W696 | H526-Y650 PolarHBondContact ND1-OH 2.92Å; A529-Y650 HydrophobicContact CB-CE2 4.37Å; V530-Y650 HydrophobicContact CG2-CD1 3.76Å; V530-Y650 HydrophobicContact CG2-CD2 3.6Å; V530-Y650 HydrophobicContact CG2-CE1 3.9Å; V530-Y650 HydrophobicContact CG2-CE2 3.73Å; V530-Y650 HydrophobicContact CG2-CG 3.6Å; I533-Y650 HydrophobicContact CD1-CD2 4.21Å; C648-Y650 PolarHBondContact O-N 2.89Å; C648-Y650 PolarHBondContact SG-O 3.27Å; Y650-L654 HydrophobicContact CD1-CD2 4.09Å; Y650-L654 HydrophobicContact CG-CD2 4.48Å; Y650-W696 HydrophobicContact CD1-CH2 4.24Å; Y650-W696 HydrophobicContact CE1-CH2 4.06Å; Y650-W696 HydrophobicContact CE1-CZ2 4.2Å |
| 651 | T | 92.6 | Very high | 71.7 | Confident | 86 Ų | 86 | 81.8 Ų | 81.8 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | trans | -68.8 | 149.8 | 176.2 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | E653 L654 I655 | T651-E653 PolarHBondContact O-N 3.25Å; T651-L654 PolarHBondContact O-N 3.27Å; T651-L654 VanDerWaalsContact O-N 3.13Å; T651-L654 VanDerWaalsContact OG1-CB 3.24Å; T651-L654 WeakPolarHBondContact OG1-CB 3.4Å; T651-L654 PolarHBondContact OG1-N 2.96Å; T651-I655 WeakPolarHBondContact O-CG1 3.33Å; T651-I655 PolarHBondContact O-N 2.86Å | ||
| 652 | K | 91.6 | Very high | 74.9 | Confident | 157 Ų | 157 | 78.5 Ų | 78.5 | 68% | 0.683 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -56.4 | -40.6 | 176.1 | -175.8 | -179.2 | 176.4 | -177.4 | 0 | 111.8 | L654 I655 D656 | K652-L654 VanDerWaalsContact C-N 3.34Å; K652-L654 PolarHBondContact O-N 3.42Å; K652-I655 PolarHBondContact O-N 3.31Å; K652-D656 WeakPolarHBondContact O-CB 3.36Å; K652-D656 VanDerWaalsContact O-CG 3.3Å; K652-D656 PolarHBondContact O-N 3.1Å |
| 653 | E | 92.9 | Very high | 78 | Confident | 160 Ų | 160 | 79.3 Ų | 79.3 | 75% | 0.748 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60 | -42.6 | 177.4 | -65.2 | 177 | 178.7 | 0 | 0 | 112.3 | T651 D656 N657 | T651-E653 PolarHBondContact O-N 3.25Å; E653-D656 PolarHBondContact O-N 3.46Å; E653-N657 VanDerWaalsContact O-CB 3.32Å; E653-N657 WeakPolarHBondContact O-CB 3.39Å; E653-N657 PolarHBondContact O-N 3.23Å |
| 654 | L | 94.1 | Very high | 80.9 | Confident | 49 Ų | 49 | 80.4 Ų | 80.4 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 176.7 | -177.7 | 151.5 | 0 | 0 | 0 | 111.2 | V530 Y650 T651 K652 N657 F658 W696 L699 | V530-L654 HydrophobicContact CG2-CD2 4.3Å; Y650-L654 HydrophobicContact CD1-CD2 4.09Å; Y650-L654 HydrophobicContact CG-CD2 4.48Å; T651-L654 PolarHBondContact O-N 3.27Å; T651-L654 VanDerWaalsContact O-N 3.13Å; T651-L654 VanDerWaalsContact OG1-CB 3.24Å; T651-L654 WeakPolarHBondContact OG1-CB 3.4Å; T651-L654 PolarHBondContact OG1-N 2.96Å; K652-L654 VanDerWaalsContact C-N 3.34Å; K652-L654 PolarHBondContact O-N 3.42Å; L654-N657 PolarHBondContact O-N 3.46Å; L654-F658 WeakPolarHBondContact O-CB 3.45Å; L654-F658 PolarHBondContact O-N 3.43Å; L654-W696 HydrophobicContact CD2-CH2 3.61Å; L654-W696 HydrophobicContact CD2-CZ3 3.8Å; L654-L699 HydrophobicContact CD1-CD1 4.46Å; L654-L699 HydrophobicContact CG-CD1 4.26Å |
| 655 | I | 94.7 | Very high | 83.8 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 6% | 0.056 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 177.8 | -63.5 | 165.1 | 0 | 0 | 0 | 110 | V530 I533 V534 T651 K652 F658 A659 | V530-I655 HydrophobicContact CG1-CG1 4.2Å; V530-I655 HydrophobicContact CG1-CG2 4.47Å; I533-I655 HydrophobicContact CG2-CD1 4.21Å; I533-I655 HydrophobicContact CG2-CG2 4.28Å; V534-I655 HydrophobicContact CG2-CG2 3.8Å; T651-I655 WeakPolarHBondContact O-CG1 3.33Å; T651-I655 PolarHBondContact O-N 2.86Å; K652-I655 PolarHBondContact O-N 3.31Å; I655-F658 PolarHBondContact O-N 2.99Å; I655-A659 WeakPolarHBondContact O-CB 3.27Å; I655-A659 PolarHBondContact O-N 3.11Å |
| 656 | D | 94 | Very high | 86.5 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | -179.4 | -71.9 | -18.6 | 0 | 0 | 0 | 111.9 | K652 E653 K660 | K652-D656 WeakPolarHBondContact O-CB 3.36Å; K652-D656 VanDerWaalsContact O-CG 3.3Å; K652-D656 PolarHBondContact O-N 3.1Å; E653-D656 PolarHBondContact O-N 3.46Å; D656-K660 WeakPolarHBondContact O-CG 3.4Å; D656-K660 PolarHBondContact O-N 2.98Å |
| 657 | N | 94.9 | Very high | 89.1 | Confident | 57 Ų | 57 | 68.6 Ų | 68.6 | 31% | 0.305 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66 | -48.9 | 175.3 | -171.4 | 11.1 | 0 | 0 | 0 | 111.2 | E653 L654 A659 K660 N661 L699 | E653-N657 VanDerWaalsContact O-CB 3.32Å; E653-N657 WeakPolarHBondContact O-CB 3.39Å; E653-N657 PolarHBondContact O-N 3.23Å; L654-N657 PolarHBondContact O-N 3.46Å; N657-A659 VanDerWaalsContact C-N 3.34Å; N657-A659 PolarHBondContact O-N 3.48Å; N657-K660 PolarHBondContact O-N 3.5Å; N657-N661 PolarHBondContact O-N 3.47Å; N657-N661 PolarHBondContact O-ND2 3.25Å; N657-N661 PolarHBondContact OD1-ND2 2.96Å; N657-L699 PolarHBondContact ND2-O 3.17Å |
| 658 | F | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -39 | 177.5 | -173.7 | -111.5 | 0 | 0 | 0 | 111.8 | W527 V530 E531 L654 I655 K660 N661 L662 W696 L699 | W527-F658 HydrophobicContact CB-CE1 4.23Å; W527-F658 HydrophobicContact CB-CE2 4.17Å; W527-F658 HydrophobicContact CB-CZ 3.71Å; W527-F658 HydrophobicContact CD2-CZ 4.32Å; W527-F658 HydrophobicContact CE3-CZ 4.02Å; W527-F658 HydrophobicContact CG-CZ 4.22Å; V530-F658 HydrophobicContact CB-CD1 4.21Å; V530-F658 HydrophobicContact CG1-CB 4.34Å; V530-F658 HydrophobicContact CG1-CD1 3.7Å; V530-F658 HydrophobicContact CG1-CE1 4.48Å; V530-F658 HydrophobicContact CG1-CG 4.38Å; E531-F658 HydrophobicContact CB-CE1 4.46Å; L654-F658 WeakPolarHBondContact O-CB 3.45Å; L654-F658 PolarHBondContact O-N 3.43Å; I655-F658 PolarHBondContact O-N 2.99Å; F658-K660 PolarHBondContact O-N 3.33Å; F658-N661 PolarHBondContact O-N 3.22Å; F658-N661 VanDerWaalsContact O-N 3.17Å; F658-L662 HydrophobicContact CE1-CB 4.37Å; F658-L662 HydrophobicContact CE1-CD1 4.49Å; F658-L662 HydrophobicContact CE1-CD2 4.22Å; F658-L662 HydrophobicContact CZ-CD1 4.47Å; F658-L662 VanDerWaalsContact O-CB 3.28Å; F658-L662 WeakPolarHBondContact O-CB 3.22Å; F658-L662 PolarHBondContact O-N 3.13Å; F658-W696 HydrophobicContact CB-CZ3 4.35Å; F658-W696 HydrophobicContact CD1-CE3 4.44Å; F658-W696 HydrophobicContact CD1-CZ3 4.33Å; F658-W696 AromaticContact CD2-CE3 3.65Å; F658-W696 HydrophobicContact CD2-CE3 3.65Å; F658-W696 HydrophobicContact CD2-CZ3 4.2Å; F658-W696 HydrophobicContact CE2-CB 4.38Å; F658-W696 AromaticContact CE2-CE3 3.83Å; F658-W696 HydrophobicContact CE2-CE3 3.83Å; F658-W696 AromaticContact CG-CE3 3.97Å; F658-W696 HydrophobicContact CG-CE3 3.97Å; F658-W696 HydrophobicContact CG-CZ3 4.03Å; F658-W696 HydrophobicContact CZ-CE3 4.3Å; F658-L699 HydrophobicContact CB-CD2 4.29Å; F658-L699 HydrophobicContact CD2-CD2 4.05Å |
| 659 | A | 96.5 | Very high | 93.6 | Very high | 11 Ų | 11 | 60.4 Ų | 60.4 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V534 I655 N657 N661 L662 R663 | V534-A659 HydrophobicContact CB-CB 4.35Å; V534-A659 HydrophobicContact CG1-CB 3.59Å; V534-A659 HydrophobicContact CG2-CB 3.73Å; I655-A659 WeakPolarHBondContact O-CB 3.27Å; I655-A659 PolarHBondContact O-N 3.11Å; N657-A659 VanDerWaalsContact C-N 3.34Å; N657-A659 PolarHBondContact O-N 3.48Å; A659-N661 VanDerWaalsContact C-N 3.32Å; A659-N661 PolarHBondContact O-N 2.79Å; A659-L662 PolarHBondContact O-N 2.92Å; A659-R663 WeakPolarHBondContact O-CG 3.41Å; A659-R663 PolarHBondContact O-N 2.59Å; A659-R663 VanDerWaalsContact O-N 3.12Å |
| 660 | K | 94 | Very high | 94.4 | Very high | 146 Ų | 146 | 62.2 Ų | 62.2 | 64% | 0.635 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 177 | -72.2 | 172.1 | -174 | 174.7 | 0 | 111.6 | D656 N657 F658 R664 | D656-K660 WeakPolarHBondContact O-CG 3.4Å; D656-K660 PolarHBondContact O-N 2.98Å; N657-K660 PolarHBondContact O-N 3.5Å; F658-K660 PolarHBondContact O-N 3.33Å; K660-R664 WeakPolarHBondContact O-CG 3.49Å |
| 661 | N | 96.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 68.5 Ų | 68.5 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.9 | -45.8 | 178.1 | -73.5 | -63.2 | 0 | 0 | 0 | 111.8 | N657 F658 A659 R663 R664 I665 T695 Y703 | N657-N661 PolarHBondContact O-N 3.47Å; N657-N661 PolarHBondContact O-ND2 3.25Å; N657-N661 PolarHBondContact OD1-ND2 2.96Å; F658-N661 PolarHBondContact O-N 3.22Å; F658-N661 VanDerWaalsContact O-N 3.17Å; A659-N661 VanDerWaalsContact C-N 3.32Å; A659-N661 PolarHBondContact O-N 2.79Å; N661-R663 VanDerWaalsContact C-N 3.34Å; N661-R663 PolarHBondContact O-N 3.16Å; N661-R664 WeakPolarHBondContact O-CB 3.38Å; N661-R664 PolarHBondContact O-N 3.29Å; N661-I665 VanDerWaalsContact O-CG1 3.31Å; N661-I665 WeakPolarHBondContact O-CG1 3.41Å; N661-I665 PolarHBondContact O-N 2.95Å; N661-T695 HydrophobicContact CB-CG2 3.8Å; N661-Y703 WeakPolarHBondContact OD1-CB 3.02Å; N661-Y703 PolarHBondContact OD1-N 3.28Å |
| 662 | L | 97 | Very high | 94.6 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.8 | -45.6 | -179.8 | -179.9 | 64 | 0 | 0 | 0 | 111.9 | E531 V534 F658 A659 R664 I665 D666 | E531-L662 HydrophobicContact CB-CD2 4Å; E531-L662 HydrophobicContact CG-CD2 3.83Å; V534-L662 HydrophobicContact CG1-CD2 4.28Å; F658-L662 HydrophobicContact CE1-CB 4.37Å; F658-L662 HydrophobicContact CE1-CD1 4.49Å; F658-L662 HydrophobicContact CE1-CD2 4.22Å; F658-L662 HydrophobicContact CZ-CD1 4.47Å; F658-L662 VanDerWaalsContact O-CB 3.28Å; F658-L662 WeakPolarHBondContact O-CB 3.22Å; F658-L662 PolarHBondContact O-N 3.13Å; A659-L662 PolarHBondContact O-N 2.92Å; L662-R664 VanDerWaalsContact C-N 3.29Å; L662-R664 PolarHBondContact O-N 2.84Å; L662-I665 PolarHBondContact O-N 3.01Å; L662-D666 PolarHBondContact O-N 3.3Å |
| 663 | R | 94.3 | Very high | 94.5 | Very high | 138 Ų | 138 | 58.5 Ų | 58.5 | 52% | 0.521 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 175.8 | -72.3 | 179.5 | -173.4 | 174.5 | 6.5 | 112.6 | E538 A659 N661 N667 | E538-R663 IonicContact OE1-CZ 3.46Å; E538-R663 IonicContact OE1-NE 2.81Å; E538-R663 PolarHBondContact OE1-NE 3.24Å; E538-R663 IonicContact OE1-NH2 3.73Å; E538-R663 PolarHBondContact OE1-NH2 3.1Å; A659-R663 WeakPolarHBondContact O-CG 3.41Å; A659-R663 PolarHBondContact O-N 2.59Å; A659-R663 VanDerWaalsContact O-N 3.12Å; N661-R663 VanDerWaalsContact C-N 3.34Å; N661-R663 PolarHBondContact O-N 3.16Å; R663-N667 PolarHBondContact O-N 3.29Å; R663-N667 PolarHBondContact O-ND2 3.13Å |
| 664 | R | 95.2 | Very high | 94.2 | Very high | 115 Ų | 115 | 59.9 Ų | 59.9 | 43% | 0.434 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 178.9 | -65 | 172.4 | 70.4 | -166.6 | 0.1 | 110.4 | K660 N661 L662 N667 D668 Y703 | K660-R664 WeakPolarHBondContact O-CG 3.49Å; N661-R664 WeakPolarHBondContact O-CB 3.38Å; N661-R664 PolarHBondContact O-N 3.29Å; L662-R664 VanDerWaalsContact C-N 3.29Å; L662-R664 PolarHBondContact O-N 2.84Å; R664-N667 PolarHBondContact O-N 3.18Å; R664-D668 WeakPolarHBondContact O-CB 3.21Å; R664-D668 PolarHBondContact O-N 2.92Å; R664-Y703 HydrophobicContact CB-CD1 3.71Å; R664-Y703 HydrophobicContact CB-CE1 4.09Å; R664-Y703 VanDerWaalsContact CZ-O 3.3Å; R664-Y703 PolarHBondContact NH1-O 3.49Å; R664-Y703 PolarHBondContact NH2-O 2.92Å |
| 665 | I | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 177 | -64.9 | 164.8 | 0 | 0 | 0 | 110.8 | N661 L662 N667 D668 V669 I691 T695 Y703 | N661-I665 VanDerWaalsContact O-CG1 3.31Å; N661-I665 WeakPolarHBondContact O-CG1 3.41Å; N661-I665 PolarHBondContact O-N 2.95Å; L662-I665 PolarHBondContact O-N 3.01Å; I665-N667 VanDerWaalsContact C-N 3.31Å; I665-N667 PolarHBondContact O-N 3Å; I665-D668 PolarHBondContact O-N 3Å; I665-V669 HydrophobicContact CG2-CG2 3.9Å; I665-V669 WeakPolarHBondContact O-CB 3.23Å; I665-V669 VanDerWaalsContact O-CG2 3.26Å; I665-V669 WeakPolarHBondContact O-CG2 3.36Å; I665-V669 PolarHBondContact O-N 3.48Å; I665-I691 HydrophobicContact CB-CG2 4.38Å; I665-I691 HydrophobicContact CD1-CG2 3.9Å; I665-I691 HydrophobicContact CG1-CG2 3.73Å; I665-I691 HydrophobicContact CG2-CB 4.22Å; I665-I691 HydrophobicContact CG2-CG2 3.76Å; I665-T695 HydrophobicContact CD1-CG2 4.25Å; I665-Y703 HydrophobicContact CD1-CD2 4.15Å; I665-Y703 HydrophobicContact CD1-CG 4.28Å; I665-Y703 HydrophobicContact CG1-CD1 4.14Å; I665-Y703 HydrophobicContact CG1-CD2 3.47Å; I665-Y703 VanDerWaalsContact CG1-CD2 3.47Å; I665-Y703 HydrophobicContact CG1-CE2 3.93Å; I665-Y703 HydrophobicContact CG1-CG 3.59Å |
| 666 | D | 95.7 | Very high | 93.7 | Very high | 33 Ų | 33 | 66.6 Ų | 66.6 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57 | -45.2 | -179.8 | -74.8 | -34.3 | 0 | 0 | 0 | 111.3 | R535 L662 L670 K688 | R535-D666 IonicContact CZ-OD2 2.76Å; R535-D666 IonicContact NH2-OD1 3.18Å; R535-D666 IonicContact NH2-OD2 2.68Å; R535-D666 PolarHBondContact NH2-OD2 3.3Å; L662-D666 PolarHBondContact O-N 3.3Å; D666-L670 WeakPolarHBondContact O-CB 3.33Å; D666-L670 VanDerWaalsContact O-CG 3.24Å; D666-L670 WeakPolarHBondContact O-CG 3.37Å; D666-L670 PolarHBondContact O-N 3.14Å; D666-L670 VanDerWaalsContact O-N 3.15Å; D666-K688 WeakPolarHBondContact OD1-CE 3.44Å; D666-K688 IonicContact OD1-NZ 3.11Å; D666-K688 PolarHBondContact OD1-NZ 2.69Å |
| 667 | N | 93.5 | Very high | 93.5 | Very high | 82 Ų | 82 | 69 Ų | 69 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 178.2 | -79.4 | -63.3 | 0 | 0 | 0 | 112.9 | R663 R664 I665 R671 | R663-N667 PolarHBondContact O-N 3.29Å; R663-N667 PolarHBondContact O-ND2 3.13Å; R664-N667 PolarHBondContact O-N 3.18Å; I665-N667 VanDerWaalsContact C-N 3.31Å; I665-N667 PolarHBondContact O-N 3Å; N667-R671 WeakPolarHBondContact O-CD 3.36Å; N667-R671 VanDerWaalsContact O-CG 3.25Å; N667-R671 WeakPolarHBondContact O-CG 3.27Å; N667-R671 PolarHBondContact O-N 3.29Å |
| 668 | D | 95.3 | Very high | 93.3 | Very high | 24 Ų | 24 | 67.3 Ų | 67.3 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75 | -37.2 | -178.3 | -84.9 | 5.5 | 0 | 0 | 0 | 112.1 | R664 I665 R671 C672 Y703 | R664-D668 WeakPolarHBondContact O-CB 3.21Å; R664-D668 PolarHBondContact O-N 2.92Å; I665-D668 PolarHBondContact O-N 3Å; D668-R671 PolarHBondContact O-N 2.83Å; D668-C672 WeakPolarHBondContact O-CB 3.29Å; D668-C672 PolarHBondContact O-N 2.87Å; D668-Y703 HydrophobicContact CB-CE1 4.4Å; D668-Y703 VanDerWaalsContact CB-OH 3.22Å; D668-Y703 WeakPolarHBondContact CB-OH 3.41Å; D668-Y703 VanDerWaalsContact OD2-CE1 3.27Å; D668-Y703 WeakPolarHBondContact OD2-CE1 3.38Å; D668-Y703 PolarHBondContact OD2-OH 2.99Å |
| 669 | V | 95.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.3 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | I665 R671 C672 L684 L687 K688 | I665-V669 HydrophobicContact CG2-CG2 3.9Å; I665-V669 WeakPolarHBondContact O-CB 3.23Å; I665-V669 VanDerWaalsContact O-CG2 3.26Å; I665-V669 WeakPolarHBondContact O-CG2 3.36Å; I665-V669 PolarHBondContact O-N 3.48Å; V669-R671 PolarHBondContact O-N 2.92Å; V669-C672 PolarHBondContact O-N 2.99Å; V669-L684 HydrophobicContact CG1-CB 4.13Å; V669-L684 HydrophobicContact CG1-CD2 4.03Å; V669-L684 WeakPolarHBondContact CG1-O 3.22Å; V669-L684 WeakPolarHBondContact O-CD2 3.33Å; V669-L687 HydrophobicContact CG1-CD2 4.49Å; V669-L687 HydrophobicContact CG2-CG 4.46Å; V669-K688 HydrophobicContact CG1-CB 4.34Å; V669-K688 HydrophobicContact CG2-CB 4.29Å |
| 670 | L | 92.4 | Very high | 92.9 | Very high | 119 Ų | 119 | 71.3 Ų | 71.3 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.7 | -24.7 | 177 | -71.3 | 172.3 | 0 | 0 | 0 | 113.5 | D666 | D666-L670 WeakPolarHBondContact O-CB 3.33Å; D666-L670 VanDerWaalsContact O-CG 3.24Å; D666-L670 WeakPolarHBondContact O-CG 3.37Å; D666-L670 PolarHBondContact O-N 3.14Å; D666-L670 VanDerWaalsContact O-N 3.15Å |
| 671 | R | 92 | Very high | 92.7 | Very high | 162 Ų | 162 | 71.2 Ų | 71.2 | 61% | 0.611 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -90.3 | -24.7 | 177.2 | -69.1 | 172.5 | -168.7 | -166 | 4.2 | 112.9 | N667 D668 V669 D673 | N667-R671 WeakPolarHBondContact O-CD 3.36Å; N667-R671 VanDerWaalsContact O-CG 3.25Å; N667-R671 WeakPolarHBondContact O-CG 3.27Å; N667-R671 PolarHBondContact O-N 3.29Å; D668-R671 PolarHBondContact O-N 2.83Å; V669-R671 PolarHBondContact O-N 2.92Å; R671-D673 PolarHBondContact O-N 3.29Å; R671-D673 VanDerWaalsContact O-N 3.15Å |
| 672 | C | 92.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.007 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 114.9 | -171.9 | -167.6 | 0 | 0 | 0 | 0 | 110.2 | D668 V669 R674 L687 C708 | D668-C672 WeakPolarHBondContact O-CB 3.29Å; D668-C672 PolarHBondContact O-N 2.87Å; V669-C672 PolarHBondContact O-N 2.99Å; C672-R674 PolarHBondContact O-N 3.29Å; C672-L687 HydrophobicContact CB-CD2 4.04Å; C672-C708 HydrophobicContact CB-CB 4.4Å |
| 673 | D | 89.5 | Confident | 92.1 | Very high | 31 Ų | 31 | 76 Ų | 76 | 17% | 0.166 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.6 | 37.1 | 172.1 | -58.5 | -27.9 | 0 | 0 | 0 | 115.2 | R671 N675 H676 F679 K806 Y811 | R671-D673 PolarHBondContact O-N 3.29Å; R671-D673 VanDerWaalsContact O-N 3.15Å; D673-N675 PolarHBondContact O-N 3.13Å; D673-H676 HydrophobicContact CB-CB 4.16Å; D673-H676 VanDerWaalsContact O-CB 3.27Å; D673-H676 WeakPolarHBondContact O-CB 3.48Å; D673-H676 PolarHBondContact O-N 3.35Å; D673-F679 HydrophobicContact CB-CD2 3.72Å; D673-F679 HydrophobicContact CB-CE2 3.72Å; D673-K806 VanDerWaalsContact OD2-CE 3.26Å; D673-K806 WeakPolarHBondContact OD2-CE 3.45Å; D673-K806 IonicContact OD2-NZ 2.73Å; D673-K806 PolarHBondContact OD2-NZ 3.19Å; D673-Y811 PolarHBondContact OD2-OH 3.37Å |
| 674 | R | 87.8 | Confident | 92.1 | Very high | 190 Ų | 190 | 70.6 Ų | 70.6 | 72% | 0.717 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -18.9 | -176.3 | 61.6 | 178.7 | 157.3 | -173.1 | -6.3 | 116.6 | C672 | C672-R674 PolarHBondContact O-N 3.29Š|
| 675 | N | 87.8 | Confident | 92.1 | Very high | 152 Ų | 152 | 68.8 Ų | 68.8 | 81% | 0.813 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -7.6 | 178.7 | -64.9 | -18.2 | 0 | 0 | 0 | 112.6 | D673 | D673-N675 PolarHBondContact O-N 3.13Š|
| 676 | H | 90.3 | Very high | 91.9 | Very high | 49 Ų | 49 | 69.9 Ų | 69.9 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -84.1 | 128.5 | 179.9 | -173.3 | -76.8 | 0 | 0 | 0 | 109.6 | D673 Y678 F679 Y811 | D673-H676 HydrophobicContact CB-CB 4.16Å; D673-H676 VanDerWaalsContact O-CB 3.27Å; D673-H676 WeakPolarHBondContact O-CB 3.48Å; D673-H676 PolarHBondContact O-N 3.35Å; H676-Y678 VanDerWaalsContact ND1-CB 3.29Å; H676-Y678 WeakPolarHBondContact ND1-CB 3.36Å; H676-Y678 PolarHBondContact ND1-N 3.28Å; H676-Y678 PolarHBondContact O-N 3Å; H676-F679 HydrophobicContact CB-CD2 4.03Å; H676-F679 HydrophobicContact CB-CE2 4.48Å; H676-F679 PolarHBondContact O-N 2.93Å; H676-F679 VanDerWaalsContact O-N 3.09Å; H676-Y811 AromaticContact CD2-CD2 3.78Å; H676-Y811 AromaticContact CD2-CE2 3.86Å |
| 677 | P | 89.4 | Confident | 91.9 | Very high | 121 Ų | 121 | 68.4 Ų | 68.4 | 79% | 0.786 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.1 | -168.4 | 24.2 | -35.3 | 0 | 0 | 0 | 114.2 | ||
| 678 | Y | 90.7 | Very high | 92.1 | Very high | 21 Ų | 21 | 65.2 Ų | 65.2 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33.7 | 176.9 | 179.8 | -96.6 | 0 | 0 | 0 | 113.7 | H676 N680 N683 L715 V716 D719 E720 | H676-Y678 VanDerWaalsContact ND1-CB 3.29Å; H676-Y678 WeakPolarHBondContact ND1-CB 3.36Å; H676-Y678 PolarHBondContact ND1-N 3.28Å; H676-Y678 PolarHBondContact O-N 3Å; Y678-N680 PolarHBondContact O-N 2.74Å; Y678-N683 HydrophobicContact CD1-CB 4.27Å; Y678-N683 HydrophobicContact CE1-CB 3.78Å; Y678-N683 VanDerWaalsContact CE2-ND2 3.29Å; Y678-N683 WeakPolarHBondContact CE2-ND2 3.23Å; Y678-N683 WeakPolarHBondContact O-CB 3.43Å; Y678-N683 PolarHBondContact O-ND2 3.34Å; Y678-L715 HydrophobicContact CE1-CD2 4.15Å; Y678-L715 HydrophobicContact CE1-CG 3.96Å; Y678-V716 HydrophobicContact CD1-CB 4.45Å; Y678-V716 HydrophobicContact CD1-CG2 3.43Å; Y678-V716 VanDerWaalsContact CD1-CG2 3.43Å; Y678-V716 HydrophobicContact CE1-CG2 3.9Å; Y678-V716 HydrophobicContact CG-CG2 3.85Å; Y678-D719 HydrophobicContact CE2-CB 3.66Å; Y678-D719 VanDerWaalsContact CE2-OD2 3.3Å; Y678-D719 WeakPolarHBondContact CE2-OD2 3.47Å; Y678-D719 WeakPolarHBondContact OH-CB 3.46Å; Y678-D719 PolarHBondContact OH-OD2 3.22Å; Y678-E720 HydrophobicContact CD2-CG 4.47Å |
| 679 | F | 92.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 65 Ų | 65 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | trans | -86.3 | 73.2 | -172.6 | -67.8 | -69.7 | 0 | 0 | 0 | 112.6 | D673 H676 L684 L687 A712 L715 V716 Y811 | D673-F679 HydrophobicContact CB-CD2 3.72Å; D673-F679 HydrophobicContact CB-CE2 3.72Å; H676-F679 HydrophobicContact CB-CD2 4.03Å; H676-F679 HydrophobicContact CB-CE2 4.48Å; H676-F679 PolarHBondContact O-N 2.93Å; H676-F679 VanDerWaalsContact O-N 3.09Å; F679-L684 HydrophobicContact CB-CD2 3.93Å; F679-L684 HydrophobicContact CB-CG 4.24Å; F679-L684 HydrophobicContact CD1-CD2 3.97Å; F679-L684 HydrophobicContact CG-CD2 4.26Å; F679-L687 HydrophobicContact CD1-CD2 4.49Å; F679-L687 HydrophobicContact CE1-CD2 4.08Å; F679-A712 HydrophobicContact CE1-CB 4.23Å; F679-A712 HydrophobicContact CE2-CB 4.29Å; F679-A712 HydrophobicContact CZ-CB 3.55Å; F679-L715 HydrophobicContact CE1-CD2 4.41Å; F679-V716 HydrophobicContact CE2-CG2 3.98Å; F679-V716 HydrophobicContact CZ-CG2 3.74Å; F679-Y811 WeakPolarHBondContact CE2-OH 3.37Å | ||
| 680 | N | 90.9 | Very high | 92.3 | Very high | 80 Ų | 80 | 64.7 Ų | 64.7 | 43% | 0.428 | 32% | 0.317 | S | S | . | . | trans | -84 | 173.3 | 163.4 | 61.5 | 35.8 | 0 | 0 | 0 | 111.3 | Y678 L682 N683 L684 | Y678-N680 PolarHBondContact O-N 2.74Å; N680-L682 PolarHBondContact O-N 3.23Å; N680-L682 VanDerWaalsContact O-N 3.12Å; N680-L682 WeakPolarHBondContact OD1-CB 3.38Å; N680-L682 PolarHBondContact OD1-N 3.18Å; N680-N683 PolarHBondContact O-N 3.47Å; N680-N683 VanDerWaalsContact O-N 3.08Å; N680-N683 PolarHBondContact OD1-N 2.86Å; N680-L684 WeakPolarHBondContact O-CB 3.24Å; N680-L684 WeakPolarHBondContact O-CG 3.23Å; N680-L684 PolarHBondContact O-N 3.36Å | ||
| 681 | D | 90.9 | Very high | 92.5 | Very high | 144 Ų | 144 | 59 Ų | 59 | 77% | 0.77 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -53.5 | -36.3 | -178.6 | -64.2 | -38.2 | 0 | 0 | 0 | 113.5 | Q685 | D681-Q685 PolarHBondContact O-N 2.86Å |
| 682 | L | 89.3 | Confident | 92.9 | Very high | 99 Ų | 99 | 51.3 Ų | 51.3 | 52% | 0.518 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.2 | -47.4 | 178.6 | 177.4 | 64.7 | 0 | 0 | 0 | 111.5 | N680 Q685 K686 | N680-L682 PolarHBondContact O-N 3.23Å; N680-L682 VanDerWaalsContact O-N 3.12Å; N680-L682 WeakPolarHBondContact OD1-CB 3.38Å; N680-L682 PolarHBondContact OD1-N 3.18Å; L682-Q685 WeakPolarHBondContact O-CB 3.26Å; L682-Q685 PolarHBondContact O-N 3.1Å; L682-K686 PolarHBondContact O-N 3.4Å; L682-K686 VanDerWaalsContact O-N 3.12Å |
| 683 | N | 91.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 6% | 0.059 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -76.3 | -28.7 | -178.4 | -70.7 | -21.1 | 0 | 0 | 0 | 112.3 | Y678 N680 Q685 K686 L687 D719 | Y678-N683 HydrophobicContact CD1-CB 4.27Å; Y678-N683 HydrophobicContact CE1-CB 3.78Å; Y678-N683 VanDerWaalsContact CE2-ND2 3.29Å; Y678-N683 WeakPolarHBondContact CE2-ND2 3.23Å; Y678-N683 WeakPolarHBondContact O-CB 3.43Å; Y678-N683 PolarHBondContact O-ND2 3.34Å; N680-N683 PolarHBondContact O-N 3.47Å; N680-N683 VanDerWaalsContact O-N 3.08Å; N680-N683 PolarHBondContact OD1-N 2.86Å; N683-Q685 VanDerWaalsContact C-N 3.28Å; N683-Q685 PolarHBondContact O-N 2.92Å; N683-K686 PolarHBondContact O-N 2.92Å; N683-K686 WeakPolarHBondContact OD1-CE 3.32Å; N683-K686 PolarHBondContact OD1-NZ 3.27Å; N683-K686 VanDerWaalsContact OD1-NZ 3.15Å; N683-L687 PolarHBondContact O-N 3.17Å; N683-D719 PolarHBondContact OD1-OD2 3.42Å |
| 684 | L | 94.2 | Very high | 93.5 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 13% | 0.131 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -36.5 | 167.2 | -71.8 | 176.9 | 0 | 0 | 0 | 111.4 | V669 F679 N680 L687 K688 | V669-L684 HydrophobicContact CG1-CB 4.13Å; V669-L684 HydrophobicContact CG1-CD2 4.03Å; V669-L684 WeakPolarHBondContact CG1-O 3.22Å; V669-L684 WeakPolarHBondContact O-CD2 3.33Å; F679-L684 HydrophobicContact CB-CD2 3.93Å; F679-L684 HydrophobicContact CB-CG 4.24Å; F679-L684 HydrophobicContact CD1-CD2 3.97Å; F679-L684 HydrophobicContact CG-CD2 4.26Å; N680-L684 WeakPolarHBondContact O-CB 3.24Å; N680-L684 WeakPolarHBondContact O-CG 3.23Å; N680-L684 PolarHBondContact O-N 3.36Å; L684-L687 PolarHBondContact O-N 2.8Å; L684-K688 WeakPolarHBondContact O-CB 3.06Å; L684-K688 PolarHBondContact O-N 3.15Å |
| 685 | Q | 94.3 | Very high | 94 | Very high | 77 Ų | 77 | 41.5 Ų | 41.5 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.6 | -40.7 | 173.3 | -172.1 | 59.4 | 48.4 | 0 | 0 | 112 | D681 L682 N683 L687 K688 N689 | D681-Q685 PolarHBondContact O-N 2.86Å; L682-Q685 WeakPolarHBondContact O-CB 3.26Å; L682-Q685 PolarHBondContact O-N 3.1Å; N683-Q685 VanDerWaalsContact C-N 3.28Å; N683-Q685 PolarHBondContact O-N 2.92Å; Q685-L687 VanDerWaalsContact C-N 3.34Å; Q685-L687 PolarHBondContact O-N 3.34Å; Q685-K688 PolarHBondContact O-N 3.22Å; Q685-N689 PolarHBondContact NE2-OD1 3.44Å; Q685-N689 PolarHBondContact O-N 3.35Å; Q685-N689 PolarHBondContact O-OD1 3.08Å |
| 686 | K | 93.7 | Very high | 94.4 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 10% | 0.104 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 172.2 | -62.3 | -179.8 | -175.5 | 168.7 | 0 | 111.4 | L682 N683 K688 N689 V690 L715 D719 | L682-K686 PolarHBondContact O-N 3.4Å; L682-K686 VanDerWaalsContact O-N 3.12Å; N683-K686 PolarHBondContact O-N 2.92Å; N683-K686 WeakPolarHBondContact OD1-CE 3.32Å; N683-K686 PolarHBondContact OD1-NZ 3.27Å; N683-K686 VanDerWaalsContact OD1-NZ 3.15Å; K686-K688 PolarHBondContact O-N 2.89Å; K686-N689 WeakPolarHBondContact O-CB 3.47Å; K686-N689 PolarHBondContact O-N 3.21Å; K686-V690 WeakPolarHBondContact O-CG2 3.25Å; K686-V690 PolarHBondContact O-N 2.91Å; K686-L715 HydrophobicContact CB-CD1 4.19Å; K686-L715 HydrophobicContact CB-CD2 4.03Å; K686-L715 HydrophobicContact CD-CD1 4.41Å; K686-D719 VanDerWaalsContact NZ-CG 3.28Å; K686-D719 IonicContact NZ-OD1 3.09Å; K686-D719 PolarHBondContact NZ-OD1 3.03Å; K686-D719 VanDerWaalsContact NZ-OD1 3.1Å; K686-D719 IonicContact NZ-OD2 2.72Å; K686-D719 PolarHBondContact NZ-OD2 3.4Å |
| 687 | L | 95.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 176.8 | -177.8 | 62 | 0 | 0 | 0 | 111.1 | V669 C672 F679 N683 L684 Q685 N689 V690 I691 A711 A712 L715 | V669-L687 HydrophobicContact CG1-CD2 4.49Å; V669-L687 HydrophobicContact CG2-CG 4.46Å; C672-L687 HydrophobicContact CB-CD2 4.04Å; F679-L687 HydrophobicContact CD1-CD2 4.49Å; F679-L687 HydrophobicContact CE1-CD2 4.08Å; N683-L687 PolarHBondContact O-N 3.17Å; L684-L687 PolarHBondContact O-N 2.8Å; Q685-L687 VanDerWaalsContact C-N 3.34Å; Q685-L687 PolarHBondContact O-N 3.34Å; L687-N689 VanDerWaalsContact C-N 3.34Å; L687-N689 PolarHBondContact O-N 3.28Å; L687-V690 PolarHBondContact O-N 3Å; L687-I691 HydrophobicContact CD1-CG1 4.43Å; L687-I691 WeakPolarHBondContact O-CG1 3.08Å; L687-I691 PolarHBondContact O-N 3.44Å; L687-A711 HydrophobicContact CD1-CB 3.74Å; L687-A712 HydrophobicContact CD1-CB 4.42Å; L687-A712 HydrophobicContact CD2-CB 4.5Å; L687-L715 HydrophobicContact CB-CD2 3.82Å; L687-L715 HydrophobicContact CD1-CD2 4.4Å |
| 688 | K | 97.2 | Very high | 94.9 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 174.2 | 175.1 | 173.1 | 170.6 | 168.2 | 0 | 111.5 | E531 D666 V669 L684 Q685 K686 V690 I691 C692 | E531-K688 IonicContact OE1-NZ 3.25Å; E531-K688 PolarHBondContact OE1-NZ 2.94Å; E531-K688 IonicContact OE2-NZ 2.59Å; D666-K688 WeakPolarHBondContact OD1-CE 3.44Å; D666-K688 IonicContact OD1-NZ 3.11Å; D666-K688 PolarHBondContact OD1-NZ 2.69Å; V669-K688 HydrophobicContact CG1-CB 4.34Å; V669-K688 HydrophobicContact CG2-CB 4.29Å; L684-K688 WeakPolarHBondContact O-CB 3.06Å; L684-K688 PolarHBondContact O-N 3.15Å; Q685-K688 PolarHBondContact O-N 3.22Å; K686-K688 PolarHBondContact O-N 2.89Å; K688-V690 VanDerWaalsContact C-N 3.34Å; K688-V690 PolarHBondContact O-N 3.23Å; K688-I691 PolarHBondContact O-N 3.27Å; K688-C692 VanDerWaalsContact O-CB 3.22Å; K688-C692 WeakPolarHBondContact O-CB 3.22Å; K688-C692 PolarHBondContact O-N 3.32Å; K688-C692 PolarHBondContact O-SG 3.4Å |
| 689 | N | 97.7 | Very high | 95 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 10% | 0.096 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 179.5 | -67.8 | -9.5 | 0 | 0 | 0 | 111.5 | Y520 I524 W527 Q685 K686 L687 T693 E738 | Y520-N689 VanDerWaalsContact OH-C 3.26Å; Y520-N689 WeakPolarHBondContact OH-CB 3.13Å; Y520-N689 PolarHBondContact OH-O 2.97Å; I524-N689 HydrophobicContact CD1-CB 4.12Å; W527-N689 HydrophobicContact CZ2-CB 4.35Å; Q685-N689 PolarHBondContact NE2-OD1 3.44Å; Q685-N689 PolarHBondContact O-N 3.35Å; Q685-N689 PolarHBondContact O-OD1 3.08Å; K686-N689 WeakPolarHBondContact O-CB 3.47Å; K686-N689 PolarHBondContact O-N 3.21Å; L687-N689 VanDerWaalsContact C-N 3.34Å; L687-N689 PolarHBondContact O-N 3.28Å; N689-T693 WeakPolarHBondContact O-CB 3.33Å; N689-T693 PolarHBondContact O-N 3.35Å; N689-T693 PolarHBondContact O-OG1 2.77Å; N689-E738 WeakPolarHBondContact CB-OE1 3.22Å; N689-E738 PolarHBondContact ND2-OE1 3.1Å |
| 690 | V | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.1 | -50.3 | 177.8 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | Y520 K686 L687 K688 T693 Y694 E738 T741 F745 | Y520-V690 WeakPolarHBondContact OH-CA 3.32Å; Y520-V690 PolarHBondContact OH-N 3.42Å; K686-V690 WeakPolarHBondContact O-CG2 3.25Å; K686-V690 PolarHBondContact O-N 2.91Å; L687-V690 PolarHBondContact O-N 3Å; K688-V690 VanDerWaalsContact C-N 3.34Å; K688-V690 PolarHBondContact O-N 3.23Å; V690-T693 PolarHBondContact O-N 2.98Å; V690-Y694 PolarHBondContact O-N 3.23Å; V690-E738 HydrophobicContact CG2-CG 4.09Å; V690-T741 HydrophobicContact CG1-CG2 4.42Å; V690-T741 HydrophobicContact CG2-CG2 4.15Å; V690-F745 HydrophobicContact CG1-CB 4.16Å; V690-F745 HydrophobicContact CG1-CD1 4.01Å; V690-F745 HydrophobicContact CG1-CG 4.19Å |
| 691 | I | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.4 | -48 | -177.8 | -62.3 | -59.3 | 0 | 0 | 0 | 111.6 | I665 L687 K688 T693 Y694 T695 Y703 M707 A711 F745 | I665-I691 HydrophobicContact CB-CG2 4.38Å; I665-I691 HydrophobicContact CD1-CG2 3.9Å; I665-I691 HydrophobicContact CG1-CG2 3.73Å; I665-I691 HydrophobicContact CG2-CB 4.22Å; I665-I691 HydrophobicContact CG2-CG2 3.76Å; L687-I691 HydrophobicContact CD1-CG1 4.43Å; L687-I691 WeakPolarHBondContact O-CG1 3.08Å; L687-I691 PolarHBondContact O-N 3.44Å; K688-I691 PolarHBondContact O-N 3.27Å; I691-T693 VanDerWaalsContact C-N 3.31Å; I691-T693 PolarHBondContact O-N 2.88Å; I691-Y694 PolarHBondContact O-N 3.07Å; I691-T695 WeakPolarHBondContact O-CB 3.44Å; I691-T695 PolarHBondContact O-N 2.93Å; I691-T695 PolarHBondContact O-OG1 3.49Å; I691-Y703 HydrophobicContact CG2-CD2 3.65Å; I691-Y703 HydrophobicContact CG2-CE2 3.6Å; I691-M707 HydrophobicContact CD1-CB 4.33Å; I691-A711 HydrophobicContact CD1-CB 3.51Å; I691-A711 HydrophobicContact CG1-CB 4.33Å; I691-F745 HydrophobicContact CD1-CE1 3.84Å; I691-F745 HydrophobicContact CD1-CE2 4.13Å; I691-F745 HydrophobicContact CD1-CZ 3.57Å |
| 692 | C | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 177.7 | -77.1 | 0 | 0 | 0 | 0 | 111.4 | W527 K688 T695 W696 | W527-C692 HydrophobicContact CD2-CB 3.87Å; W527-C692 HydrophobicContact CE3-CB 3.98Å; W527-C692 HydrophobicContact CH2-CB 4.03Å; W527-C692 HydrophobicContact CZ2-CB 3.89Å; W527-C692 HydrophobicContact CZ3-CB 4.04Å; K688-C692 VanDerWaalsContact O-CB 3.22Å; K688-C692 WeakPolarHBondContact O-CB 3.22Å; K688-C692 PolarHBondContact O-N 3.32Å; K688-C692 PolarHBondContact O-SG 3.4Å; C692-T695 PolarHBondContact O-N 2.73Å; C692-W696 WeakPolarHBondContact O-CB 3.42Å; C692-W696 PolarHBondContact O-N 3.37Å |
| 693 | T | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.4 | -43.4 | 179.4 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | Y520 A523 I524 W527 N689 V690 I691 W696 E697 Y742 | Y520-T693 HydrophobicContact CD2-CG2 3.46Å; Y520-T693 VanDerWaalsContact CD2-CG2 3.46Å; Y520-T693 HydrophobicContact CE2-CG2 3.57Å; Y520-T693 HydrophobicContact CG-CG2 4.44Å; A523-T693 HydrophobicContact CB-CG2 3.65Å; I524-T693 WeakPolarHBondContact CG1-OG1 3.47Å; W527-T693 PolarHBondContact NE1-OG1 2.81Å; N689-T693 WeakPolarHBondContact O-CB 3.33Å; N689-T693 PolarHBondContact O-N 3.35Å; N689-T693 PolarHBondContact O-OG1 2.77Å; V690-T693 PolarHBondContact O-N 2.98Å; I691-T693 VanDerWaalsContact C-N 3.31Å; I691-T693 PolarHBondContact O-N 2.88Å; T693-W696 PolarHBondContact O-N 3.04Å; T693-E697 PolarHBondContact O-N 2.83Å; T693-E697 VanDerWaalsContact O-N 3.1Å; T693-Y742 HydrophobicContact CG2-CD2 4.37Å; T693-Y742 HydrophobicContact CG2-CE2 3.9Å |
| 694 | Y | 98 | Very high | 95.2 | Very high | 17 Ų | 17 | 32.9 Ų | 32.9 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -51.3 | 174 | 179.4 | -83 | 0 | 0 | 0 | 111.1 | V690 I691 W696 E697 H698 M707 F745 M749 | V690-Y694 PolarHBondContact O-N 3.23Å; I691-Y694 PolarHBondContact O-N 3.07Å; Y694-W696 PolarHBondContact O-N 2.98Å; Y694-E697 PolarHBondContact O-N 2.99Å; Y694-E697 VanDerWaalsContact O-N 3.1Å; Y694-H698 HydrophobicContact CD1-CB 4.45Å; Y694-H698 AromaticContact CD2-CD2 3.72Å; Y694-H698 HydrophobicContact CE1-CB 4.01Å; Y694-H698 AromaticContact CE1-CD2 3.82Å; Y694-H698 AromaticContact CE1-CG 3.99Å; Y694-H698 AromaticContact CE2-CD2 3.45Å; Y694-H698 VanDerWaalsContact CE2-CD2 3.45Å; Y694-H698 WeakPolarHBondContact CE2-CD2 3.34Å; Y694-H698 AromaticContact CE2-NE2 3.57Å; Y694-H698 AromaticContact CZ-CD2 3.49Å; Y694-H698 VanDerWaalsContact CZ-CD2 3.49Å; Y694-H698 AromaticContact CZ-CG 3.83Å; Y694-H698 AromaticContact CZ-NE2 3.89Å; Y694-H698 WeakPolarHBondContact O-CB 3.21Å; Y694-H698 PolarHBondContact O-CD2 3.48Å; Y694-H698 VanDerWaalsContact O-CD2 3.23Å; Y694-H698 PolarHBondContact O-N 2.78Å; Y694-M707 HydrophobicContact CD1-CE 3.28Å; Y694-M707 HydrophobicContact CE1-CE 3.49Å; Y694-M707 VanDerWaalsContact CE1-CE 3.49Å; Y694-M707 HydrophobicContact CG-CE 4.3Å; Y694-F745 AromaticContact CD1-CE1 3.98Å; Y694-F745 HydrophobicContact CD1-CE1 3.98Å; Y694-F745 HydrophobicContact CD2-CD1 4.01Å; Y694-F745 AromaticContact CD2-CE1 3.97Å; Y694-F745 HydrophobicContact CD2-CE1 3.97Å; Y694-F745 AromaticContact CG-CD1 3.99Å; Y694-F745 HydrophobicContact CG-CD1 3.99Å; Y694-F745 AromaticContact CG-CE1 3.59Å; Y694-F745 HydrophobicContact CG-CE1 3.59Å; Y694-M749 HydrophobicContact CD2-CG 4.37Å; Y694-M749 HydrophobicContact CE1-CB 4.4Å; Y694-M749 HydrophobicContact CE1-CE 4.03Å; Y694-M749 HydrophobicContact CE1-CG 4.22Å; Y694-M749 HydrophobicContact CE2-CB 3.6Å; Y694-M749 HydrophobicContact CE2-CG 3.83Å; Y694-M749 VanDerWaalsContact OH-CB 3.3Å; Y694-M749 WeakPolarHBondContact OH-CB 3.25Å |
| 695 | T | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -32.3 | 180 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | N661 I665 I691 C692 H698 L699 | N661-T695 HydrophobicContact CB-CG2 3.8Å; I665-T695 HydrophobicContact CD1-CG2 4.25Å; I691-T695 WeakPolarHBondContact O-CB 3.44Å; I691-T695 PolarHBondContact O-N 2.93Å; I691-T695 PolarHBondContact O-OG1 3.49Å; C692-T695 PolarHBondContact O-N 2.73Å; T695-H698 CarbonylContact O-C 3.18Å; T695-H698 PolarHBondContact O-N 2.69Å; T695-L699 WeakPolarHBondContact O-CA 3.48Å; T695-L699 WeakPolarHBondContact O-CG 3.46Å; T695-L699 PolarHBondContact O-N 3.01Å; T695-L699 VanDerWaalsContact O-N 3.08Å |
| 696 | W | 97.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -40.3 | 174.4 | 177.9 | -96.5 | 0 | 0 | 0 | 112.6 | H526 W527 V530 Y650 L654 F658 C692 T693 Y694 H698 L699 | H526-W696 HydrophobicContact CB-CZ2 3.91Å; W527-W696 HydrophobicContact CB-CB 4.07Å; W527-W696 HydrophobicContact CB-CD2 3.5Å; W527-W696 VanDerWaalsContact CB-CD2 3.5Å; W527-W696 HydrophobicContact CB-CE3 3.45Å; W527-W696 VanDerWaalsContact CB-CE3 3.45Å; W527-W696 HydrophobicContact CB-CG 3.77Å; W527-W696 HydrophobicContact CB-CZ3 4.05Å; W527-W696 HydrophobicContact CG-CB 4.39Å; W527-W696 HydrophobicContact CG-CG 4.43Å; V530-W696 HydrophobicContact CB-CH2 4.22Å; V530-W696 HydrophobicContact CB-CZ3 4.01Å; V530-W696 HydrophobicContact CG1-CZ3 4.3Å; V530-W696 HydrophobicContact CG2-CH2 3.52Å; V530-W696 HydrophobicContact CG2-CZ3 3.81Å; Y650-W696 HydrophobicContact CD1-CH2 4.24Å; Y650-W696 HydrophobicContact CE1-CH2 4.06Å; Y650-W696 HydrophobicContact CE1-CZ2 4.2Å; L654-W696 HydrophobicContact CD2-CH2 3.61Å; L654-W696 HydrophobicContact CD2-CZ3 3.8Å; F658-W696 HydrophobicContact CB-CZ3 4.35Å; F658-W696 HydrophobicContact CD1-CE3 4.44Å; F658-W696 HydrophobicContact CD1-CZ3 4.33Å; F658-W696 AromaticContact CD2-CE3 3.65Å; F658-W696 HydrophobicContact CD2-CE3 3.65Å; F658-W696 HydrophobicContact CD2-CZ3 4.2Å; F658-W696 HydrophobicContact CE2-CB 4.38Å; F658-W696 AromaticContact CE2-CE3 3.83Å; F658-W696 HydrophobicContact CE2-CE3 3.83Å; F658-W696 AromaticContact CG-CE3 3.97Å; F658-W696 HydrophobicContact CG-CE3 3.97Å; F658-W696 HydrophobicContact CG-CZ3 4.03Å; F658-W696 HydrophobicContact CZ-CE3 4.3Å; C692-W696 WeakPolarHBondContact O-CB 3.42Å; C692-W696 PolarHBondContact O-N 3.37Å; T693-W696 PolarHBondContact O-N 3.04Å; Y694-W696 PolarHBondContact O-N 2.98Å; W696-H698 VanDerWaalsContact C-N 3.28Å; W696-L699 HydrophobicContact CE3-CD1 4.36Å; W696-L699 WeakPolarHBondContact O-CG 3.44Å |
| 697 | E | 95.4 | Very high | 94.6 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -76.3 | -17.7 | 175.4 | -65.1 | -157.9 | 167.7 | 0 | 0 | 113.1 | R519 T693 Y694 Y742 | R519-E697 IonicContact CZ-OE1 3.84Å; R519-E697 IonicContact CZ-OE2 2.91Å; R519-E697 IonicContact NE-OE1 2.63Å; R519-E697 PolarHBondContact NE-OE1 3.44Å; R519-E697 IonicContact NE-OE2 2.75Å; R519-E697 PolarHBondContact NE-OE2 3Å; R519-E697 VanDerWaalsContact NH2-CD 3.31Å; R519-E697 IonicContact NH2-OE1 3.11Å; R519-E697 PolarHBondContact NH2-OE1 3.45Å; R519-E697 IonicContact NH2-OE2 3.33Å; R519-E697 PolarHBondContact NH2-OE2 3.31Å; T693-E697 PolarHBondContact O-N 2.83Å; T693-E697 VanDerWaalsContact O-N 3.1Å; Y694-E697 PolarHBondContact O-N 2.99Å; Y694-E697 VanDerWaalsContact O-N 3.1Å; E697-Y742 VanDerWaalsContact CD-OH 3.25Å; E697-Y742 PolarHBondContact OE2-OH 2.84Å |
| 698 | H | 94.8 | Very high | 94.5 | Very high | 61 Ų | 61 | 33.7 Ų | 33.7 | 28% | 0.282 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124 | 46.2 | -177.5 | -64 | -84.3 | 0 | 0 | 0 | 111.8 | Y694 T695 W696 D700 D701 G702 | Y694-H698 HydrophobicContact CD1-CB 4.45Å; Y694-H698 AromaticContact CD2-CD2 3.72Å; Y694-H698 HydrophobicContact CE1-CB 4.01Å; Y694-H698 AromaticContact CE1-CD2 3.82Å; Y694-H698 AromaticContact CE1-CG 3.99Å; Y694-H698 AromaticContact CE2-CD2 3.45Å; Y694-H698 VanDerWaalsContact CE2-CD2 3.45Å; Y694-H698 WeakPolarHBondContact CE2-CD2 3.34Å; Y694-H698 AromaticContact CE2-NE2 3.57Å; Y694-H698 AromaticContact CZ-CD2 3.49Å; Y694-H698 VanDerWaalsContact CZ-CD2 3.49Å; Y694-H698 AromaticContact CZ-CG 3.83Å; Y694-H698 AromaticContact CZ-NE2 3.89Å; Y694-H698 WeakPolarHBondContact O-CB 3.21Å; Y694-H698 PolarHBondContact O-CD2 3.48Å; Y694-H698 VanDerWaalsContact O-CD2 3.23Å; Y694-H698 PolarHBondContact O-N 2.78Å; T695-H698 CarbonylContact O-C 3.18Å; T695-H698 PolarHBondContact O-N 2.69Å; W696-H698 VanDerWaalsContact C-N 3.28Å; H698-D700 PolarHBondContact O-N 3.01Å; H698-D701 HydrophobicContact CB-CB 4.46Å; H698-D701 IonicContact ND1-OD2 2.76Å; H698-D701 PolarHBondContact O-N 3.13Å; H698-G702 PolarHBondContact O-N 2.87Å |
| 699 | L | 92.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 33.3 Ų | 33.3 | 15% | 0.152 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.1 | -175.5 | -81.8 | 172.2 | 0 | 0 | 0 | 114.4 | L654 N657 F658 T695 W696 | L654-L699 HydrophobicContact CD1-CD1 4.46Å; L654-L699 HydrophobicContact CG-CD1 4.26Å; N657-L699 PolarHBondContact ND2-O 3.17Å; F658-L699 HydrophobicContact CB-CD2 4.29Å; F658-L699 HydrophobicContact CD2-CD2 4.05Å; T695-L699 WeakPolarHBondContact O-CA 3.48Å; T695-L699 WeakPolarHBondContact O-CG 3.46Å; T695-L699 PolarHBondContact O-N 3.01Å; T695-L699 VanDerWaalsContact O-N 3.08Å; W696-L699 HydrophobicContact CE3-CD1 4.36Å; W696-L699 WeakPolarHBondContact O-CG 3.44Å |
| 700 | D | 89.7 | Confident | 94.4 | Very high | 166 Ų | 166 | 32.5 Ų | 32.5 | 89% | 0.888 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -36.7 | 177.2 | -64.8 | -31.2 | 0 | 0 | 0 | 111.4 | H698 | H698-D700 PolarHBondContact O-N 3.01Š|
| 701 | D | 89.4 | Confident | 94.4 | Very high | 118 Ų | 118 | 32.4 Ų | 32.4 | 63% | 0.631 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -39.3 | 173.7 | -58.3 | -42.6 | 0 | 0 | 0 | 110.9 | H698 | H698-D701 HydrophobicContact CB-CB 4.46Å; H698-D701 IonicContact ND1-OD2 2.76Å; H698-D701 PolarHBondContact O-N 3.13Å |
| 702 | G | 91.6 | Very high | 94.3 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | trans | 73 | -170.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | H698 | H698-G702 PolarHBondContact O-N 2.87Š| ||
| 703 | Y | 94.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | trans | -86 | 127.2 | 175.4 | 177.4 | -99.4 | 0 | 0 | 0 | 110.9 | N661 R664 I665 D668 I691 M707 | N661-Y703 WeakPolarHBondContact OD1-CB 3.02Å; N661-Y703 PolarHBondContact OD1-N 3.28Å; R664-Y703 HydrophobicContact CB-CD1 3.71Å; R664-Y703 HydrophobicContact CB-CE1 4.09Å; R664-Y703 VanDerWaalsContact CZ-O 3.3Å; R664-Y703 PolarHBondContact NH1-O 3.49Å; R664-Y703 PolarHBondContact NH2-O 2.92Å; I665-Y703 HydrophobicContact CD1-CD2 4.15Å; I665-Y703 HydrophobicContact CD1-CG 4.28Å; I665-Y703 HydrophobicContact CG1-CD1 4.14Å; I665-Y703 HydrophobicContact CG1-CD2 3.47Å; I665-Y703 VanDerWaalsContact CG1-CD2 3.47Å; I665-Y703 HydrophobicContact CG1-CE2 3.93Å; I665-Y703 HydrophobicContact CG1-CG 3.59Å; D668-Y703 HydrophobicContact CB-CE1 4.4Å; D668-Y703 VanDerWaalsContact CB-OH 3.22Å; D668-Y703 WeakPolarHBondContact CB-OH 3.41Å; D668-Y703 VanDerWaalsContact OD2-CE1 3.27Å; D668-Y703 WeakPolarHBondContact OD2-CE1 3.38Å; D668-Y703 PolarHBondContact OD2-OH 2.99Å; I691-Y703 HydrophobicContact CG2-CD2 3.65Å; I691-Y703 HydrophobicContact CG2-CE2 3.6Å; Y703-M707 HydrophobicContact CD2-CB 4.1Å; Y703-M707 HydrophobicContact CD2-CE 4.45Å; Y703-M707 HydrophobicContact CD2-SD 3.91Å; Y703-M707 HydrophobicContact CE2-CB 3.62Å; Y703-M707 HydrophobicContact CE2-CG 4.5Å; Y703-M707 HydrophobicContact CE2-SD 4.39Å | ||
| 704 | V | 92.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 32.5 Ų | 32.5 | 21% | 0.206 | 17% | 0.165 | C | C | . | . | trans | -109.5 | 134.1 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | G706 M707 F756 | V704-G706 PolarHBondContact O-N 2.84Å; V704-M707 HydrophobicContact CB-CG 4.44Å; V704-M707 HydrophobicContact CB-SD 4.15Å; V704-M707 PolarHBondContact N-SD 3.27Å; V704-M707 WeakPolarHBondContact O-CB 3.23Å; V704-M707 VanDerWaalsContact O-CG 3.22Å; V704-M707 WeakPolarHBondContact O-CG 3.27Å; V704-M707 PolarHBondContact O-N 3.28Å; V704-M707 VanDerWaalsContact O-N 3.1Å; V704-F756 HydrophobicContact CB-CD2 3.59Å; V704-F756 HydrophobicContact CB-CE2 3.6Å; V704-F756 HydrophobicContact CB-CG 4.24Å; V704-F756 HydrophobicContact CB-CZ 4.31Å; V704-F756 HydrophobicContact CG1-CB 4.24Å; V704-F756 HydrophobicContact CG1-CD1 4.27Å; V704-F756 HydrophobicContact CG1-CD2 3.73Å; V704-F756 HydrophobicContact CG1-CE2 4Å; V704-F756 HydrophobicContact CG1-CG 3.84Å; V704-F756 HydrophobicContact CG1-CZ 4.42Å; V704-F756 HydrophobicContact CG2-CD2 3.56Å; V704-F756 HydrophobicContact CG2-CE2 3.96Å; V704-F756 HydrophobicContact CG2-CG 4.34Å | ||
| 705 | Q | 86.7 | Confident | 93.9 | Very high | 137 Ų | 137 | 31.8 Ų | 31.8 | 64% | 0.64 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 128.6 | 179.4 | -176.1 | -179.9 | -14.8 | 0 | 0 | 110 | ||
| 706 | G | 88.1 | Confident | 93.7 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106.6 | -14 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V704 C708 D709 L710 | V704-G706 PolarHBondContact O-N 2.84Å; G706-C708 VanDerWaalsContact C-N 3.28Å; G706-C708 PolarHBondContact O-N 3.43Å; G706-D709 WeakPolarHBondContact O-CB 3.48Å; G706-D709 PolarHBondContact O-N 3.18Å; G706-D709 VanDerWaalsContact O-N 3.08Å; G706-L710 PolarHBondContact O-N 3.33Å; G706-L710 VanDerWaalsContact O-N 3.14Å |
| 707 | M | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -37.8 | 173.4 | -77.5 | 175.1 | 70.1 | 0 | 0 | 112.6 | I691 Y694 Y703 V704 D709 L710 A711 F745 M749 F756 | I691-M707 HydrophobicContact CD1-CB 4.33Å; Y694-M707 HydrophobicContact CD1-CE 3.28Å; Y694-M707 HydrophobicContact CE1-CE 3.49Å; Y694-M707 VanDerWaalsContact CE1-CE 3.49Å; Y694-M707 HydrophobicContact CG-CE 4.3Å; Y703-M707 HydrophobicContact CD2-CB 4.1Å; Y703-M707 HydrophobicContact CD2-CE 4.45Å; Y703-M707 HydrophobicContact CD2-SD 3.91Å; Y703-M707 HydrophobicContact CE2-CB 3.62Å; Y703-M707 HydrophobicContact CE2-CG 4.5Å; Y703-M707 HydrophobicContact CE2-SD 4.39Å; V704-M707 HydrophobicContact CB-CG 4.44Å; V704-M707 HydrophobicContact CB-SD 4.15Å; V704-M707 PolarHBondContact N-SD 3.27Å; V704-M707 WeakPolarHBondContact O-CB 3.23Å; V704-M707 VanDerWaalsContact O-CG 3.22Å; V704-M707 WeakPolarHBondContact O-CG 3.27Å; V704-M707 PolarHBondContact O-N 3.28Å; V704-M707 VanDerWaalsContact O-N 3.1Å; M707-D709 VanDerWaalsContact C-N 3.31Å; M707-D709 PolarHBondContact O-N 2.83Å; M707-L710 PolarHBondContact O-N 3.32Å; M707-A711 PolarHBondContact O-N 3.41Å; M707-F745 HydrophobicContact CB-CZ 4.09Å; M707-F745 HydrophobicContact CE-CE1 4Å; M707-F745 HydrophobicContact CE-CZ 3.79Å; M707-F745 HydrophobicContact CG-CZ 4.38Å; M707-F745 WeakPolarHBondContact O-CE2 3.45Å; M707-M749 HydrophobicContact CE-CE 3.79Å; M707-M749 HydrophobicContact CE-SD 4.38Å; M707-M749 HydrophobicContact CG-CE 3.79Å; M707-M749 HydrophobicContact CG-SD 4.06Å; M707-M749 HydrophobicContact SD-CE 3.92Å; M707-F756 HydrophobicContact CG-CE2 3.93Å; M707-F756 HydrophobicContact CG-CZ 3.87Å; M707-F756 HydrophobicContact SD-CE2 4.24Å |
| 708 | C | 94.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 173.9 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | C672 G706 L710 A711 A712 | C672-C708 HydrophobicContact CB-CB 4.4Å; G706-C708 VanDerWaalsContact C-N 3.28Å; G706-C708 PolarHBondContact O-N 3.43Å; C708-L710 VanDerWaalsContact C-N 3.28Å; C708-L710 PolarHBondContact O-N 3.16Å; C708-A711 PolarHBondContact O-N 3.3Å; C708-A712 VanDerWaalsContact O-CB 3.32Å; C708-A712 WeakPolarHBondContact O-CB 3.35Å; C708-A712 PolarHBondContact O-N 2.84Å |
| 709 | D | 94.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -34.5 | 178.6 | -74 | -32.6 | 0 | 0 | 0 | 111.3 | G706 M707 P713 L803 K806 R807 | G706-D709 WeakPolarHBondContact O-CB 3.48Å; G706-D709 PolarHBondContact O-N 3.18Å; G706-D709 VanDerWaalsContact O-N 3.08Å; M707-D709 VanDerWaalsContact C-N 3.31Å; M707-D709 PolarHBondContact O-N 2.83Å; D709-P713 WeakPolarHBondContact O-CD 3.32Å; D709-L803 HydrophobicContact CB-CD2 4.1Å; D709-K806 HydrophobicContact CB-CD 3.81Å; D709-K806 VanDerWaalsContact O-CD 3.24Å; D709-K806 WeakPolarHBondContact O-CD 3.24Å; D709-K806 WeakPolarHBondContact O-CE 3.41Å; D709-K806 PolarHBondContact O-NZ 2.99Å; D709-R807 IonicContact OD1-CZ 2.68Å; D709-R807 VanDerWaalsContact OD1-CZ 3.23Å; D709-R807 IonicContact OD1-NE 3.51Å; D709-R807 IonicContact OD1-NH1 3.82Å; D709-R807 IonicContact OD1-NH2 3.73Å; D709-R807 PolarHBondContact OD1-NH2 3.12Å; D709-R807 IonicContact OD2-CZ 2.71Å; D709-R807 IonicContact OD2-NE 3.87Å; D709-R807 PolarHBondContact OD2-NE 3.4Å; D709-R807 IonicContact OD2-NH2 2.77Å; D709-R807 PolarHBondContact OD2-NH2 3.03Å |
| 710 | L | 97.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -77.6 | -35.2 | 176 | -66.8 | 173.3 | 0 | 0 | 0 | 113.3 | G706 M707 C708 F745 L748 M749 M752 F756 W818 | G706-L710 PolarHBondContact O-N 3.33Å; G706-L710 VanDerWaalsContact O-N 3.14Å; M707-L710 PolarHBondContact O-N 3.32Å; C708-L710 VanDerWaalsContact C-N 3.28Å; C708-L710 PolarHBondContact O-N 3.16Å; L710-F745 HydrophobicContact CB-CE2 4.19Å; L710-L748 HydrophobicContact CB-CD2 4.14Å; L710-M749 HydrophobicContact CD1-SD 4.31Å; L710-M752 HydrophobicContact CD1-CB 3.92Å; L710-M752 HydrophobicContact CD1-CG 4.01Å; L710-M752 HydrophobicContact CD2-CE 4.19Å; L710-M752 HydrophobicContact CD2-CG 4.5Å; L710-F756 HydrophobicContact CD1-CE1 4.48Å; L710-F756 HydrophobicContact CD1-CZ 4.37Å; L710-W818 HydrophobicContact CD2-CZ2 4.17Å; L710-W818 WeakPolarHBondContact O-CH2 3.4Å |
| 711 | A | 97.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -76.8 | -34.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L687 I691 M707 C708 L714 L715 F745 | L687-A711 HydrophobicContact CD1-CB 3.74Å; I691-A711 HydrophobicContact CD1-CB 3.51Å; I691-A711 HydrophobicContact CG1-CB 4.33Å; M707-A711 PolarHBondContact O-N 3.41Å; C708-A711 PolarHBondContact O-N 3.3Å; A711-L714 WeakPolarHBondContact O-CB 3.39Å; A711-L714 PolarHBondContact O-N 3.19Å; A711-L715 PolarHBondContact O-N 3.05Å; A711-F745 HydrophobicContact CB-CD2 3.64Å; A711-F745 HydrophobicContact CB-CE2 3.72Å; A711-F745 HydrophobicContact CB-CG 4.24Å; A711-F745 HydrophobicContact CB-CZ 4.37Å |
| 712 | A | 96.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.3 | -46.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F679 L687 C708 L714 L715 V716 | F679-A712 HydrophobicContact CE1-CB 4.23Å; F679-A712 HydrophobicContact CE2-CB 4.29Å; F679-A712 HydrophobicContact CZ-CB 3.55Å; L687-A712 HydrophobicContact CD1-CB 4.42Å; L687-A712 HydrophobicContact CD2-CB 4.5Å; C708-A712 VanDerWaalsContact O-CB 3.32Å; C708-A712 WeakPolarHBondContact O-CB 3.35Å; C708-A712 PolarHBondContact O-N 2.84Å; A712-L714 VanDerWaalsContact C-N 3.33Å; A712-L714 PolarHBondContact O-N 2.78Å; A712-L715 PolarHBondContact O-N 3.35Å; A712-V716 WeakPolarHBondContact O-CG2 3.49Å; A712-V716 PolarHBondContact O-N 3.29Å |
| 713 | P | 95.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -33.7 | 177.2 | -20.9 | 34.1 | 0 | 0 | 0 | 113.7 | D709 T717 K806 Y811 F815 W818 | D709-P713 WeakPolarHBondContact O-CD 3.32Å; P713-T717 WeakPolarHBondContact O-CB 3.33Å; P713-T717 PolarHBondContact O-N 3.03Å; P713-T717 VanDerWaalsContact O-N 3.13Å; P713-T717 PolarHBondContact O-OG1 3.08Å; P713-K806 HydrophobicContact CG-CG 3.98Å; P713-Y811 HydrophobicContact CB-CE1 4.19Å; P713-Y811 HydrophobicContact CG-CE1 4.29Å; P713-F815 HydrophobicContact CB-CE1 3.92Å; P713-W818 HydrophobicContact CB-CE3 4.41Å; P713-W818 HydrophobicContact CB-CH2 3.76Å; P713-W818 HydrophobicContact CB-CZ3 3.66Å; P713-W818 HydrophobicContact CG-CH2 3.63Å; P713-W818 HydrophobicContact CG-CZ2 4.23Å; P713-W818 HydrophobicContact CG-CZ3 4.09Å |
| 714 | L | 96.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -48.8 | 173 | -62.3 | 174.3 | 0 | 0 | 0 | 110 | W493 L497 A711 A712 V716 T717 F718 T741 C744 F745 L748 W818 W822 | W493-L714 HydrophobicContact CE3-CD2 3.68Å; W493-L714 HydrophobicContact CZ3-CD2 3.74Å; L497-L714 HydrophobicContact CD1-CD2 4.14Å; A711-L714 WeakPolarHBondContact O-CB 3.39Å; A711-L714 PolarHBondContact O-N 3.19Å; A712-L714 VanDerWaalsContact C-N 3.33Å; A712-L714 PolarHBondContact O-N 2.78Å; L714-V716 PolarHBondContact O-N 3.1Å; L714-T717 PolarHBondContact O-N 3.18Å; L714-F718 HydrophobicContact CB-CD2 4.35Å; L714-F718 HydrophobicContact CB-CE2 3.99Å; L714-F718 HydrophobicContact CD2-CE2 4.27Å; L714-F718 WeakPolarHBondContact O-CD2 3.21Å; L714-F718 WeakPolarHBondContact O-CG 3.28Å; L714-F718 PolarHBondContact O-N 3.35Å; L714-F718 VanDerWaalsContact O-N 3.08Å; L714-T741 HydrophobicContact CB-CG2 3.9Å; L714-C744 HydrophobicContact CD1-CB 4.14Å; L714-C744 HydrophobicContact CD2-CB 4.14Å; L714-F745 HydrophobicContact CD1-CB 3.84Å; L714-F745 HydrophobicContact CD1-CD2 4.25Å; L714-L748 HydrophobicContact CD1-CD2 3.99Å; L714-W818 HydrophobicContact CD2-CZ3 4.22Å; L714-W818 HydrophobicContact CG-CZ3 4.29Å; L714-W822 HydrophobicContact CD2-CH2 4.26Å |
| 715 | L | 94.4 | Very high | 81.4 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | -178 | -175.7 | 60.7 | 0 | 0 | 0 | 112.2 | Y678 F679 K686 L687 A711 A712 T717 F718 D719 T741 | Y678-L715 HydrophobicContact CE1-CD2 4.15Å; Y678-L715 HydrophobicContact CE1-CG 3.96Å; F679-L715 HydrophobicContact CE1-CD2 4.41Å; K686-L715 HydrophobicContact CB-CD1 4.19Å; K686-L715 HydrophobicContact CB-CD2 4.03Å; K686-L715 HydrophobicContact CD-CD1 4.41Å; L687-L715 HydrophobicContact CB-CD2 3.82Å; L687-L715 HydrophobicContact CD1-CD2 4.4Å; A711-L715 PolarHBondContact O-N 3.05Å; A712-L715 PolarHBondContact O-N 3.35Å; L715-T717 VanDerWaalsContact C-N 3.3Å; L715-T717 PolarHBondContact O-N 3.42Å; L715-F718 PolarHBondContact O-N 3.23Å; L715-D719 WeakPolarHBondContact O-CB 3.37Å; L715-D719 PolarHBondContact O-N 3.13Å; L715-D719 VanDerWaalsContact O-N 3.1Å; L715-T741 HydrophobicContact CB-CG2 3.89Å; L715-T741 HydrophobicContact CD1-CG2 4.19Å |
| 716 | V | 92.6 | Very high | 80 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.8 | -46.2 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | Y678 F679 A712 L714 F718 E720 Y811 F815 | Y678-V716 HydrophobicContact CD1-CB 4.45Å; Y678-V716 HydrophobicContact CD1-CG2 3.43Å; Y678-V716 VanDerWaalsContact CD1-CG2 3.43Å; Y678-V716 HydrophobicContact CE1-CG2 3.9Å; Y678-V716 HydrophobicContact CG-CG2 3.85Å; F679-V716 HydrophobicContact CE2-CG2 3.98Å; F679-V716 HydrophobicContact CZ-CG2 3.74Å; A712-V716 WeakPolarHBondContact O-CG2 3.49Å; A712-V716 PolarHBondContact O-N 3.29Å; L714-V716 PolarHBondContact O-N 3.1Å; V716-F718 PolarHBondContact O-N 3.4Å; V716-E720 WeakPolarHBondContact O-CG 3.29Å; V716-E720 PolarHBondContact O-N 2.53Å; V716-Y811 HydrophobicContact CB-CD1 4.34Å; V716-Y811 HydrophobicContact CB-CE1 3.96Å; V716-Y811 HydrophobicContact CG1-CD1 4.18Å; V716-Y811 HydrophobicContact CG1-CE1 4.24Å; V716-Y811 HydrophobicContact CG2-CD1 4.37Å; V716-Y811 HydrophobicContact CG2-CE1 3.63Å; V716-F815 HydrophobicContact CG1-CZ 4.33Å |
| 717 | T | 89.6 | Confident | 78.8 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | -177.5 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | R489 W493 P713 L714 L715 F815 | R489-T717 HydrophobicContact CB-CG2 3.44Å; R489-T717 VanDerWaalsContact CB-CG2 3.44Å; R489-T717 HydrophobicContact CG-CG2 4.35Å; W493-T717 HydrophobicContact CD2-CG2 4.13Å; W493-T717 HydrophobicContact CE3-CG2 3.92Å; W493-T717 HydrophobicContact CH2-CG2 4.07Å; W493-T717 WeakPolarHBondContact CH2-OG1 3.38Å; W493-T717 HydrophobicContact CZ2-CG2 4.26Å; W493-T717 HydrophobicContact CZ3-CG2 3.89Å; W493-T717 VanDerWaalsContact CZ3-OG1 3.28Å; W493-T717 WeakPolarHBondContact CZ3-OG1 3.41Å; P713-T717 WeakPolarHBondContact O-CB 3.33Å; P713-T717 PolarHBondContact O-N 3.03Å; P713-T717 VanDerWaalsContact O-N 3.13Å; P713-T717 PolarHBondContact O-OG1 3.08Å; L714-T717 PolarHBondContact O-N 3.18Å; L715-T717 VanDerWaalsContact C-N 3.3Å; L715-T717 PolarHBondContact O-N 3.42Å; T717-F815 WeakPolarHBondContact OG1-CE1 3.22Å |
| 718 | F | 86.9 | Confident | 76.8 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 2% | 0.022 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -83.3 | -25.1 | -176.1 | -61.8 | -51.9 | 0 | 0 | 0 | 113.5 | P490 W493 P494 L714 L715 V716 K737 T740 T741 C744 | P490-F718 HydrophobicContact CB-CD1 3.97Å; P490-F718 HydrophobicContact CB-CE1 4.45Å; P490-F718 HydrophobicContact CG-CD1 4.45Å; W493-F718 HydrophobicContact CB-CE1 4.36Å; W493-F718 HydrophobicContact CB-CZ 4.17Å; W493-F718 HydrophobicContact CE3-CZ 4.28Å; P494-F718 HydrophobicContact CG-CE1 4.26Å; P494-F718 HydrophobicContact CG-CZ 4.39Å; L714-F718 HydrophobicContact CB-CD2 4.35Å; L714-F718 HydrophobicContact CB-CE2 3.99Å; L714-F718 HydrophobicContact CD2-CE2 4.27Å; L714-F718 WeakPolarHBondContact O-CD2 3.21Å; L714-F718 WeakPolarHBondContact O-CG 3.28Å; L714-F718 PolarHBondContact O-N 3.35Å; L714-F718 VanDerWaalsContact O-N 3.08Å; L715-F718 PolarHBondContact O-N 3.23Å; V716-F718 PolarHBondContact O-N 3.4Å; F718-K737 HydrophobicContact CB-CB 4.49Å; F718-K737 WeakPolarHBondContact O-CD 3.36Å; F718-K737 WeakPolarHBondContact O-CE 3.42Å; F718-K737 VanDerWaalsContact O-CG 3.29Å; F718-K737 WeakPolarHBondContact O-CG 3.36Å; F718-T740 HydrophobicContact CD1-CG2 4.17Å; F718-T740 HydrophobicContact CD2-CG2 4.47Å; F718-T740 HydrophobicContact CE1-CG2 4.09Å; F718-T740 HydrophobicContact CE2-CG2 4.39Å; F718-T740 HydrophobicContact CG-CG2 4.38Å; F718-T740 HydrophobicContact CZ-CG2 4.23Å; F718-T741 HydrophobicContact CD2-CG2 4.46Å; F718-T741 WeakPolarHBondContact CD2-OG1 3.42Å; F718-C744 HydrophobicContact CE2-CB 3.9Å; F718-C744 HydrophobicContact CZ-CB 4.1Å; F718-C744 WeakPolarHBondContact CZ-SG 3.34Å |
| 719 | D | 78.3 | Confident | 75.2 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -85.1 | -33.7 | -176.3 | -154.6 | 35.6 | 0 | 0 | 0 | 113.5 | Y678 N683 K686 L715 G721 K737 | Y678-D719 HydrophobicContact CE2-CB 3.66Å; Y678-D719 VanDerWaalsContact CE2-OD2 3.3Å; Y678-D719 WeakPolarHBondContact CE2-OD2 3.47Å; Y678-D719 WeakPolarHBondContact OH-CB 3.46Å; Y678-D719 PolarHBondContact OH-OD2 3.22Å; N683-D719 PolarHBondContact OD1-OD2 3.42Å; K686-D719 VanDerWaalsContact NZ-CG 3.28Å; K686-D719 IonicContact NZ-OD1 3.09Å; K686-D719 PolarHBondContact NZ-OD1 3.03Å; K686-D719 VanDerWaalsContact NZ-OD1 3.1Å; K686-D719 IonicContact NZ-OD2 2.72Å; K686-D719 PolarHBondContact NZ-OD2 3.4Å; L715-D719 WeakPolarHBondContact O-CB 3.37Å; L715-D719 PolarHBondContact O-N 3.13Å; L715-D719 VanDerWaalsContact O-N 3.1Å; D719-G721 PolarHBondContact O-N 2.84Å; D719-K737 PolarHBondContact O-NZ 3.48Å |
| 720 | E | 65.2 | Low | 73.8 | Confident | 119 Ų | 119 | 69.3 Ų | 69.3 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | trans | -71.3 | -6.2 | -176.7 | -71.8 | -174.6 | 173.2 | 0 | 0 | 115.5 | Y678 V716 E722 | Y678-E720 HydrophobicContact CD2-CG 4.47Å; V716-E720 WeakPolarHBondContact O-CG 3.29Å; V716-E720 PolarHBondContact O-N 2.53Å; E720-E722 PolarHBondContact O-N 2.74Å | ||
| 721 | G | 59.1 | Low | 72.3 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | trans | -61.7 | 110.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D719 L723 K737 | D719-G721 PolarHBondContact O-N 2.84Å; G721-L723 PolarHBondContact O-N 3.21Å; G721-L723 VanDerWaalsContact O-N 3.15Å; G721-K737 PolarHBondContact O-NZ 2.83Å | ||
| 722 | E | 53.5 | Low | 70.9 | Confident | 188 Ų | 188 | 77 Ų | 77 | 88% | 0.879 | 39% | 0.394 | S | S | * | . | trans | -59 | 107.3 | 171 | -76.2 | -172.3 | 158.7 | 0 | 0 | 109.8 | E720 | E720-E722 PolarHBondContact O-N 2.74Š| ||
| 723 | L | 53.3 | Low | 69.6 | Low | 124 Ų | 124 | 79.8 Ų | 79.8 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | trans | -142.5 | 117.9 | 164 | -136.4 | 89.2 | 0 | 0 | 0 | 112.3 | G721 | G721-L723 PolarHBondContact O-N 3.21Å; G721-L723 VanDerWaalsContact O-N 3.15Å | ||
| 724 | L | 47 | Very low | 68.6 | Low | 155 Ų | 155 | 81.1 Ų | 81.1 | 81% | 0.812 | 42% | 0.42 | S | S | * | . | trans | 16.9 | 119.8 | 163.9 | -142.8 | 73.1 | 0 | 0 | 0 | 120.3 | R726 | L724-R726 PolarHBondContact O-N 2.91Š| ||
| 725 | S | 46.7 | Very low | 67.8 | Low | 111 Ų | 111 | 82.3 Ų | 82.3 | 78% | 0.776 | 43% | 0.425 | S | S | * | . | trans | -65.9 | 97.1 | -179.6 | -49.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 726 | R | 57.7 | Low | 67.3 | Low | 190 Ų | 190 | 85.1 Ų | 85.1 | 72% | 0.717 | 44% | 0.44 | S | S | * | . | trans | -141.8 | 118.3 | 158.1 | -95.9 | -179.2 | 160.8 | 149.3 | -4.5 | 110.4 | L724 Y728 V729 I730 | L724-R726 PolarHBondContact O-N 2.91Å; R726-Y728 PolarHBondContact O-N 3.48Å; R726-Y728 VanDerWaalsContact O-N 3.15Å; R726-V729 HydrophobicContact CB-CB 4.17Å; R726-V729 HydrophobicContact CB-CG2 4.13Å; R726-V729 WeakPolarHBondContact O-CA 3.45Å; R726-V729 PolarHBondContact O-N 3.05Å; R726-I730 VanDerWaalsContact O-CG1 3.3Å; R726-I730 WeakPolarHBondContact O-CG1 3.32Å; R726-I730 PolarHBondContact O-N 3.18Å | ||
| 727 | L | 61.7 | Low | 67 | Low | 148 Ų | 148 | 87.5 Ų | 87.5 | 78% | 0.775 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -48.1 | -47.2 | -166 | -167.3 | 67.6 | 0 | 0 | 0 | 115.6 | I730 T731 | L727-I730 PolarHBondContact O-N 3.14Å; L727-T731 PolarHBondContact O-N 2.83Å; L727-T731 PolarHBondContact O-OG1 2.99Å |
| 728 | Y | 54.4 | Low | 67.1 | Low | 188 Ų | 188 | 87.6 Ų | 87.6 | 74% | 0.737 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.8 | -38.7 | 179.2 | -178.1 | -100.9 | 0 | 0 | 0 | 113 | R726 I730 T731 L732 | R726-Y728 PolarHBondContact O-N 3.48Å; R726-Y728 VanDerWaalsContact O-N 3.15Å; Y728-I730 VanDerWaalsContact C-N 3.28Å; Y728-I730 PolarHBondContact O-N 2.71Å; Y728-T731 PolarHBondContact O-N 3.31Å; Y728-L732 PolarHBondContact O-N 3.01Å |
| 729 | V | 61.7 | Low | 67.4 | Low | 67 Ų | 67 | 87.3 Ų | 87.3 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 176.5 | -177 | 0 | 0 | 0 | 0 | 109.9 | R726 L732 L733 | R726-V729 HydrophobicContact CB-CB 4.17Å; R726-V729 HydrophobicContact CB-CG2 4.13Å; R726-V729 WeakPolarHBondContact O-CA 3.45Å; R726-V729 PolarHBondContact O-N 3.05Å; V729-L732 PolarHBondContact O-N 3.39Å; V729-L733 HydrophobicContact CG1-CD1 3.65Å; V729-L733 HydrophobicContact CG1-CG 4.03Å; V729-L733 VanDerWaalsContact O-CB 3.25Å; V729-L733 WeakPolarHBondContact O-CB 3.44Å; V729-L733 WeakPolarHBondContact O-CG 3.3Å; V729-L733 PolarHBondContact O-N 3.27Å |
| 730 | I | 64.6 | Low | 68.1 | Low | 74 Ų | 74 | 87 Ų | 87 | 38% | 0.379 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 175.9 | -67.2 | 164.5 | 0 | 0 | 0 | 111.3 | R726 L727 Y728 L733 A734 | R726-I730 VanDerWaalsContact O-CG1 3.3Å; R726-I730 WeakPolarHBondContact O-CG1 3.32Å; R726-I730 PolarHBondContact O-N 3.18Å; L727-I730 PolarHBondContact O-N 3.14Å; Y728-I730 VanDerWaalsContact C-N 3.28Å; Y728-I730 PolarHBondContact O-N 2.71Å; I730-L733 PolarHBondContact O-N 2.89Å; I730-A734 VanDerWaalsContact O-CB 3.24Å; I730-A734 WeakPolarHBondContact O-CB 3.42Å; I730-A734 PolarHBondContact O-N 2.84Å |
| 731 | T | 66 | Low | 69.5 | Low | 83 Ų | 83 | 81.4 Ų | 81.4 | 51% | 0.509 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | -178.7 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | L727 Y728 A734 F735 | L727-T731 PolarHBondContact O-N 2.83Å; L727-T731 PolarHBondContact O-OG1 2.99Å; Y728-T731 PolarHBondContact O-N 3.31Å; T731-A734 PolarHBondContact O-N 3.37Å; T731-F735 PolarHBondContact O-N 3.08Å; T731-F735 VanDerWaalsContact O-N 3.08Å |
| 732 | L | 67 | Low | 71.4 | Confident | 79 Ų | 79 | 80.3 Ų | 80.3 | 41% | 0.414 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 178.2 | -160.7 | 87.8 | 0 | 0 | 0 | 111.6 | Y728 V729 L736 | Y728-L732 PolarHBondContact O-N 3.01Å; V729-L732 PolarHBondContact O-N 3.39Å; L732-L736 WeakPolarHBondContact O-CB 3.37Å; L732-L736 PolarHBondContact O-N 2.86Å |
| 733 | L | 70.8 | Confident | 73.5 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 30% | 0.298 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.4 | -40.8 | 177.5 | -72.8 | 177 | 0 | 0 | 0 | 112.4 | V729 I730 F735 L736 K737 | V729-L733 HydrophobicContact CG1-CD1 3.65Å; V729-L733 HydrophobicContact CG1-CG 4.03Å; V729-L733 VanDerWaalsContact O-CB 3.25Å; V729-L733 WeakPolarHBondContact O-CB 3.44Å; V729-L733 WeakPolarHBondContact O-CG 3.3Å; V729-L733 PolarHBondContact O-N 3.27Å; I730-L733 PolarHBondContact O-N 2.89Å; L733-F735 VanDerWaalsContact C-N 3.29Å; L733-F735 PolarHBondContact O-N 3.45Å; L733-L736 HydrophobicContact CD2-CD2 4.44Å; L733-L736 WeakPolarHBondContact O-CB 3.44Å; L733-L736 PolarHBondContact O-N 3.22Å; L733-K737 WeakPolarHBondContact O-CG 3.12Å; L733-K737 PolarHBondContact O-N 3.48Å |
| 734 | A | 73.8 | Confident | 75.6 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I730 T731 K737 E738 | I730-A734 VanDerWaalsContact O-CB 3.24Å; I730-A734 WeakPolarHBondContact O-CB 3.42Å; I730-A734 PolarHBondContact O-N 2.84Å; T731-A734 PolarHBondContact O-N 3.37Å; A734-K737 WeakPolarHBondContact O-CB 3.5Å; A734-K737 PolarHBondContact O-N 3.43Å; A734-E738 PolarHBondContact O-N 3.08Å; A734-E738 VanDerWaalsContact O-N 3.16Å |
| 735 | F | 78.5 | Confident | 78 | Confident | 24 Ų | 24 | 59 Ų | 59 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | 174.9 | -163.6 | -93.6 | 0 | 0 | 0 | 112.1 | R517 Y520 Q521 T731 L733 K737 E738 V739 | R517-F735 HydrophobicContact CG-CD1 3.75Å; R517-F735 HydrophobicContact CG-CE1 3.55Å; Y520-F735 HydrophobicContact CD1-CE1 4.24Å; Y520-F735 AromaticContact CD1-CZ 3.76Å; Y520-F735 HydrophobicContact CD1-CZ 3.76Å; Y520-F735 HydrophobicContact CE1-CZ 4.13Å; Q521-F735 HydrophobicContact CB-CZ 4.47Å; Q521-F735 HydrophobicContact CG-CE1 3.36Å; Q521-F735 HydrophobicContact CG-CE2 4.24Å; Q521-F735 HydrophobicContact CG-CZ 3.19Å; T731-F735 PolarHBondContact O-N 3.08Å; T731-F735 VanDerWaalsContact O-N 3.08Å; L733-F735 VanDerWaalsContact C-N 3.29Å; L733-F735 PolarHBondContact O-N 3.45Å; F735-K737 VanDerWaalsContact C-N 3.3Å; F735-K737 PolarHBondContact O-N 3.41Å; F735-E738 PolarHBondContact O-N 2.82Å; F735-V739 HydrophobicContact CD1-CG2 3.72Å; F735-V739 HydrophobicContact CE1-CG2 3.43Å; F735-V739 VanDerWaalsContact CE1-CG2 3.43Å; F735-V739 HydrophobicContact CZ-CG2 4.16Å; F735-V739 WeakPolarHBondContact O-CG2 3.22Å; F735-V739 PolarHBondContact O-N 3.48Å |
| 736 | L | 84.5 | Confident | 80.4 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 32% | 0.319 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 175.2 | -170.3 | 66.3 | 0 | 0 | 0 | 112.3 | T513 L732 L733 V739 T740 | T513-L736 HydrophobicContact CG2-CD1 3.44Å; T513-L736 VanDerWaalsContact CG2-CD1 3.44Å; L732-L736 WeakPolarHBondContact O-CB 3.37Å; L732-L736 PolarHBondContact O-N 2.86Å; L733-L736 HydrophobicContact CD2-CD2 4.44Å; L733-L736 WeakPolarHBondContact O-CB 3.44Å; L733-L736 PolarHBondContact O-N 3.22Å; L736-V739 PolarHBondContact O-N 3.19Å; L736-T740 WeakPolarHBondContact O-CB 3.38Å; L736-T740 PolarHBondContact O-N 2.81Å; L736-T740 PolarHBondContact O-OG1 3.38Å |
| 737 | K | 86.2 | Confident | 82.3 | Confident | 54 Ų | 54 | 48.7 Ų | 48.7 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -42.5 | 175.8 | -71.7 | 166.9 | 157.2 | -165.6 | 0 | 111.9 | F718 D719 G721 L733 A734 F735 T740 T741 | F718-K737 HydrophobicContact CB-CB 4.49Å; F718-K737 WeakPolarHBondContact O-CD 3.36Å; F718-K737 WeakPolarHBondContact O-CE 3.42Å; F718-K737 VanDerWaalsContact O-CG 3.29Å; F718-K737 WeakPolarHBondContact O-CG 3.36Å; D719-K737 PolarHBondContact O-NZ 3.48Å; G721-K737 PolarHBondContact O-NZ 2.83Å; L733-K737 WeakPolarHBondContact O-CG 3.12Å; L733-K737 PolarHBondContact O-N 3.48Å; A734-K737 WeakPolarHBondContact O-CB 3.5Å; A734-K737 PolarHBondContact O-N 3.43Å; F735-K737 VanDerWaalsContact C-N 3.3Å; F735-K737 PolarHBondContact O-N 3.41Å; K737-T740 PolarHBondContact O-N 2.96Å; K737-T741 PolarHBondContact O-N 3.48Å; K737-T741 PolarHBondContact O-OG1 3.35Å |
| 738 | E | 91.2 | Very high | 84 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 173.5 | -175.9 | 175.4 | 150.2 | 0 | 0 | 111.6 | Y520 N689 V690 A734 F735 T740 T741 Y742 | Y520-E738 HydrophobicContact CE1-CG 4.06Å; Y520-E738 PolarHBondContact OH-OE1 2.92Å; Y520-E738 VanDerWaalsContact OH-OE1 3.1Å; N689-E738 WeakPolarHBondContact CB-OE1 3.22Å; N689-E738 PolarHBondContact ND2-OE1 3.1Å; V690-E738 HydrophobicContact CG2-CG 4.09Å; A734-E738 PolarHBondContact O-N 3.08Å; A734-E738 VanDerWaalsContact O-N 3.16Å; F735-E738 PolarHBondContact O-N 2.82Å; E738-T740 PolarHBondContact O-N 3.12Å; E738-T741 VanDerWaalsContact O-CB 3.25Å; E738-T741 WeakPolarHBondContact O-CB 2.96Å; E738-T741 PolarHBondContact O-N 2.95Å; E738-Y742 PolarHBondContact O-N 3.4Å |
| 739 | V | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -39.7 | 176.8 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | V516 R517 Y520 F735 L736 T741 Y742 M743 | V516-V739 HydrophobicContact CG1-CG1 4.26Å; R517-V739 HydrophobicContact CB-CG1 4.14Å; R517-V739 HydrophobicContact CB-CG2 4.3Å; R517-V739 HydrophobicContact CG-CG2 3.87Å; Y520-V739 HydrophobicContact CD1-CG2 3.68Å; Y520-V739 HydrophobicContact CE1-CG2 4.26Å; Y520-V739 HydrophobicContact CG-CG2 4.25Å; F735-V739 HydrophobicContact CD1-CG2 3.72Å; F735-V739 HydrophobicContact CE1-CG2 3.43Å; F735-V739 VanDerWaalsContact CE1-CG2 3.43Å; F735-V739 HydrophobicContact CZ-CG2 4.16Å; F735-V739 WeakPolarHBondContact O-CG2 3.22Å; F735-V739 PolarHBondContact O-N 3.48Å; L736-V739 PolarHBondContact O-N 3.19Å; V739-T741 VanDerWaalsContact C-N 3.31Å; V739-T741 PolarHBondContact O-N 3.21Å; V739-Y742 WeakPolarHBondContact O-CB 3.29Å; V739-Y742 PolarHBondContact O-N 3.36Å; V739-M743 HydrophobicContact CG1-SD 4.17Å; V739-M743 WeakPolarHBondContact O-CG 3.42Å; V739-M743 PolarHBondContact O-N 3.29Å |
| 740 | T | 92.9 | Very high | 87.4 | Confident | 28 Ų | 28 | 35.1 Ų | 35.1 | 17% | 0.172 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -40 | 174.9 | -56.3 | 0 | 0 | 0 | 0 | 111 | P494 F718 L736 K737 E738 M743 C744 | P494-T740 HydrophobicContact CG-CG2 4.08Å; F718-T740 HydrophobicContact CD1-CG2 4.17Å; F718-T740 HydrophobicContact CD2-CG2 4.47Å; F718-T740 HydrophobicContact CE1-CG2 4.09Å; F718-T740 HydrophobicContact CE2-CG2 4.39Å; F718-T740 HydrophobicContact CG-CG2 4.38Å; F718-T740 HydrophobicContact CZ-CG2 4.23Å; L736-T740 WeakPolarHBondContact O-CB 3.38Å; L736-T740 PolarHBondContact O-N 2.81Å; L736-T740 PolarHBondContact O-OG1 3.38Å; K737-T740 PolarHBondContact O-N 2.96Å; E738-T740 PolarHBondContact O-N 3.12Å; T740-M743 PolarHBondContact O-N 3.42Å; T740-C744 WeakPolarHBondContact O-CB 3.36Å; T740-C744 PolarHBondContact O-N 3.17Å; T740-C744 PolarHBondContact O-SG 3.39Å |
| 741 | T | 96.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.3 | -48.6 | 172.5 | -53.9 | 0 | 0 | 0 | 0 | 110.5 | V690 L714 L715 F718 K737 E738 V739 C744 F745 | V690-T741 HydrophobicContact CG1-CG2 4.42Å; V690-T741 HydrophobicContact CG2-CG2 4.15Å; L714-T741 HydrophobicContact CB-CG2 3.9Å; L715-T741 HydrophobicContact CB-CG2 3.89Å; L715-T741 HydrophobicContact CD1-CG2 4.19Å; F718-T741 HydrophobicContact CD2-CG2 4.46Å; F718-T741 WeakPolarHBondContact CD2-OG1 3.42Å; K737-T741 PolarHBondContact O-N 3.48Å; K737-T741 PolarHBondContact O-OG1 3.35Å; E738-T741 VanDerWaalsContact O-CB 3.25Å; E738-T741 WeakPolarHBondContact O-CB 2.96Å; E738-T741 PolarHBondContact O-N 2.95Å; V739-T741 VanDerWaalsContact C-N 3.31Å; V739-T741 PolarHBondContact O-N 3.21Å; T741-C744 PolarHBondContact O-N 3.15Å; T741-F745 WeakPolarHBondContact O-CB 3.46Å; T741-F745 PolarHBondContact O-N 3.33Å |
| 742 | Y | 97.5 | Very high | 90 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 5% | 0.047 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.2 | -46.5 | 176.6 | 169.1 | -100.1 | 0 | 0 | 0 | 112.3 | V516 Y520 T693 E697 E738 V739 C744 F745 S746 | V516-Y742 HydrophobicContact CG1-CD1 4.21Å; V516-Y742 HydrophobicContact CG1-CE1 4.14Å; Y520-Y742 AromaticContact CD2-CD1 3.5Å; Y520-Y742 HydrophobicContact CD2-CD1 3.5Å; Y520-Y742 VanDerWaalsContact CD2-CD1 3.5Å; Y520-Y742 AromaticContact CD2-CD2 3.8Å; Y520-Y742 HydrophobicContact CD2-CD2 3.8Å; Y520-Y742 AromaticContact CD2-CE1 3.94Å; Y520-Y742 HydrophobicContact CD2-CE1 3.94Å; Y520-Y742 HydrophobicContact CD2-CE2 4.21Å; Y520-Y742 AromaticContact CD2-CG 3.42Å; Y520-Y742 HydrophobicContact CD2-CG 3.42Å; Y520-Y742 VanDerWaalsContact CD2-CG 3.42Å; Y520-Y742 HydrophobicContact CE2-CD1 4.03Å; Y520-Y742 AromaticContact CE2-CD2 3.58Å; Y520-Y742 HydrophobicContact CE2-CD2 3.58Å; Y520-Y742 HydrophobicContact CE2-CE2 4.29Å; Y520-Y742 AromaticContact CE2-CG 3.43Å; Y520-Y742 HydrophobicContact CE2-CG 3.43Å; Y520-Y742 VanDerWaalsContact CE2-CG 3.43Å; Y520-Y742 HydrophobicContact CG-CD1 4.35Å; T693-Y742 HydrophobicContact CG2-CD2 4.37Å; T693-Y742 HydrophobicContact CG2-CE2 3.9Å; E697-Y742 VanDerWaalsContact CD-OH 3.25Å; E697-Y742 PolarHBondContact OE2-OH 2.84Å; E738-Y742 PolarHBondContact O-N 3.4Å; V739-Y742 WeakPolarHBondContact O-CB 3.29Å; V739-Y742 PolarHBondContact O-N 3.36Å; Y742-C744 PolarHBondContact O-N 2.94Å; Y742-F745 PolarHBondContact O-N 2.8Å; Y742-S746 PolarHBondContact O-N 2.84Å; Y742-S746 PolarHBondContact O-OG 3.24Å; Y742-S746 VanDerWaalsContact O-OG 3.08Å |
| 743 | M | 97.4 | Very high | 91.1 | Very high | 18 Ų | 18 | 27.8 Ų | 27.8 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 177.7 | -71 | 171.7 | 78.1 | 0 | 0 | 112.3 | V499 T513 V516 V739 T740 K747 | V499-M743 HydrophobicContact CG1-CB 3.89Å; V499-M743 HydrophobicContact CG1-CE 3.57Å; V499-M743 HydrophobicContact CG2-CB 4.43Å; T513-M743 HydrophobicContact CG2-SD 4.07Å; V516-M743 HydrophobicContact CB-CE 4.36Å; V516-M743 HydrophobicContact CB-CG 4.29Å; V516-M743 HydrophobicContact CB-SD 4.06Å; V516-M743 HydrophobicContact CG1-CG 3.63Å; V516-M743 HydrophobicContact CG1-SD 4.01Å; V516-M743 HydrophobicContact CG2-CE 4.09Å; V516-M743 HydrophobicContact CG2-SD 4.42Å; V739-M743 HydrophobicContact CG1-SD 4.17Å; V739-M743 WeakPolarHBondContact O-CG 3.42Å; V739-M743 PolarHBondContact O-N 3.29Å; T740-M743 PolarHBondContact O-N 3.42Å; M743-K747 PolarHBondContact O-N 3.23Å |
| 744 | C | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.2 | -39.6 | 176.5 | -67 | 0 | 0 | 0 | 0 | 111.6 | L497 V499 L714 F718 T740 T741 Y742 K747 L748 | L497-C744 HydrophobicContact CD1-CB 3.74Å; V499-C744 HydrophobicContact CG2-CB 4.47Å; L714-C744 HydrophobicContact CD1-CB 4.14Å; L714-C744 HydrophobicContact CD2-CB 4.14Å; F718-C744 HydrophobicContact CE2-CB 3.9Å; F718-C744 HydrophobicContact CZ-CB 4.1Å; F718-C744 WeakPolarHBondContact CZ-SG 3.34Å; T740-C744 WeakPolarHBondContact O-CB 3.36Å; T740-C744 PolarHBondContact O-N 3.17Å; T740-C744 PolarHBondContact O-SG 3.39Å; T741-C744 PolarHBondContact O-N 3.15Å; Y742-C744 PolarHBondContact O-N 2.94Å; C744-K747 PolarHBondContact O-N 2.81Å; C744-L748 VanDerWaalsContact O-CB 3.29Å; C744-L748 WeakPolarHBondContact O-CB 3.24Å; C744-L748 PolarHBondContact O-N 2.79Å |
| 745 | F | 98.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.3 | -46.9 | 177.7 | -179.1 | -110.2 | 0 | 0 | 0 | 111.2 | V690 I691 Y694 M707 L710 A711 L714 T741 Y742 K747 L748 M749 | V690-F745 HydrophobicContact CG1-CB 4.16Å; V690-F745 HydrophobicContact CG1-CD1 4.01Å; V690-F745 HydrophobicContact CG1-CG 4.19Å; I691-F745 HydrophobicContact CD1-CE1 3.84Å; I691-F745 HydrophobicContact CD1-CE2 4.13Å; I691-F745 HydrophobicContact CD1-CZ 3.57Å; Y694-F745 AromaticContact CD1-CE1 3.98Å; Y694-F745 HydrophobicContact CD1-CE1 3.98Å; Y694-F745 HydrophobicContact CD2-CD1 4.01Å; Y694-F745 AromaticContact CD2-CE1 3.97Å; Y694-F745 HydrophobicContact CD2-CE1 3.97Å; Y694-F745 AromaticContact CG-CD1 3.99Å; Y694-F745 HydrophobicContact CG-CD1 3.99Å; Y694-F745 AromaticContact CG-CE1 3.59Å; Y694-F745 HydrophobicContact CG-CE1 3.59Å; M707-F745 HydrophobicContact CB-CZ 4.09Å; M707-F745 HydrophobicContact CE-CE1 4Å; M707-F745 HydrophobicContact CE-CZ 3.79Å; M707-F745 HydrophobicContact CG-CZ 4.38Å; M707-F745 WeakPolarHBondContact O-CE2 3.45Å; L710-F745 HydrophobicContact CB-CE2 4.19Å; A711-F745 HydrophobicContact CB-CD2 3.64Å; A711-F745 HydrophobicContact CB-CE2 3.72Å; A711-F745 HydrophobicContact CB-CG 4.24Å; A711-F745 HydrophobicContact CB-CZ 4.37Å; L714-F745 HydrophobicContact CD1-CB 3.84Å; L714-F745 HydrophobicContact CD1-CD2 4.25Å; T741-F745 WeakPolarHBondContact O-CB 3.46Å; T741-F745 PolarHBondContact O-N 3.33Å; Y742-F745 PolarHBondContact O-N 2.8Å; F745-K747 VanDerWaalsContact C-N 3.29Å; F745-K747 PolarHBondContact O-N 2.88Å; F745-L748 WeakPolarHBondContact O-CB 3.4Å; F745-L748 PolarHBondContact O-N 3.44Å; F745-L748 VanDerWaalsContact O-N 3.12Å; F745-M749 HydrophobicContact CD1-CG 4.15Å; F745-M749 HydrophobicContact CD2-CG 4.18Å; F745-M749 HydrophobicContact CE1-CG 3.75Å; F745-M749 HydrophobicContact CE1-SD 4.37Å; F745-M749 HydrophobicContact CE2-CG 3.79Å; F745-M749 HydrophobicContact CE2-SD 3.75Å; F745-M749 HydrophobicContact CG-CG 4.35Å; F745-M749 HydrophobicContact CZ-CG 3.56Å; F745-M749 HydrophobicContact CZ-SD 3.61Å; F745-M749 WeakPolarHBondContact O-CB 3.37Å; F745-M749 VanDerWaalsContact O-CG 3.22Å; F745-M749 WeakPolarHBondContact O-CG 3.26Å; F745-M749 PolarHBondContact O-N 3.1Å |
| 746 | S | 97.6 | Very high | 93.3 | Very high | 20 Ų | 20 | 29.4 Ų | 29.4 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.8 | -44 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | Y742 M749 E750 | Y742-S746 PolarHBondContact O-N 2.84Å; Y742-S746 PolarHBondContact O-OG 3.24Å; Y742-S746 VanDerWaalsContact O-OG 3.08Å; S746-M749 PolarHBondContact O-N 3.15Å; S746-E750 PolarHBondContact O-N 2.99Å; S746-E750 VanDerWaalsContact O-N 3.16Å |
| 747 | K | 96.9 | Very high | 93.1 | Very high | 65 Ų | 65 | 31 Ų | 31 | 28% | 0.283 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.9 | -40.1 | 175.3 | -79.1 | -71.3 | 167.8 | -144.7 | 0 | 113.7 | L497 D498 V499 M743 C744 F745 M749 E750 | L497-K747 HydrophobicContact CB-CB 4.3Å; L497-K747 VanDerWaalsContact O-CB 3.25Å; L497-K747 WeakPolarHBondContact O-CB 3.48Å; L497-K747 WeakPolarHBondContact O-CG 3.26Å; D498-K747 WeakPolarHBondContact O-CE 3.42Å; V499-K747 HydrophobicContact CG2-CB 4.24Å; V499-K747 HydrophobicContact CG2-CG 3.88Å; M743-K747 PolarHBondContact O-N 3.23Å; C744-K747 PolarHBondContact O-N 2.81Å; F745-K747 VanDerWaalsContact C-N 3.29Å; F745-K747 PolarHBondContact O-N 2.88Å; K747-M749 VanDerWaalsContact C-N 3.25Å; K747-M749 PolarHBondContact O-N 3.18Å; K747-E750 IonicContact NZ-OE1 2.69Å; K747-E750 PolarHBondContact NZ-OE1 3.1Å; K747-E750 IonicContact NZ-OE2 3.34Å; K747-E750 PolarHBondContact NZ-OE2 2.62Å; K747-E750 PolarHBondContact O-N 3.45Å |
| 748 | L | 97.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 174.3 | 178.9 | 59.1 | 0 | 0 | 0 | 110.7 | L497 L710 L714 C744 F745 R751 M752 W818 W822 | L497-L748 HydrophobicContact CD2-CB 4.35Å; L497-L748 HydrophobicContact CD2-CD1 4.26Å; L710-L748 HydrophobicContact CB-CD2 4.14Å; L714-L748 HydrophobicContact CD1-CD2 3.99Å; C744-L748 VanDerWaalsContact O-CB 3.29Å; C744-L748 WeakPolarHBondContact O-CB 3.24Å; C744-L748 PolarHBondContact O-N 2.79Å; F745-L748 WeakPolarHBondContact O-CB 3.4Å; F745-L748 PolarHBondContact O-N 3.44Å; F745-L748 VanDerWaalsContact O-N 3.12Å; L748-R751 PolarHBondContact O-N 2.93Å; L748-M752 HydrophobicContact CD1-CG 3.64Å; L748-M752 HydrophobicContact CD1-SD 4.33Å; L748-M752 HydrophobicContact CG-CG 3.91Å; L748-M752 WeakPolarHBondContact O-CG 3.39Å; L748-M752 PolarHBondContact O-N 3.16Å; L748-W818 HydrophobicContact CD2-CH2 4.32Å; L748-W818 HydrophobicContact CD2-CZ3 4.48Å; L748-W822 HydrophobicContact CD1-CZ2 4.4Å |
| 749 | M | 95.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.1 | -30.1 | 179.3 | -71 | -59.3 | -60 | 0 | 0 | 113.8 | Y694 M707 L710 F745 S746 K747 R751 M752 G753 F756 | Y694-M749 HydrophobicContact CD2-CG 4.37Å; Y694-M749 HydrophobicContact CE1-CB 4.4Å; Y694-M749 HydrophobicContact CE1-CE 4.03Å; Y694-M749 HydrophobicContact CE1-CG 4.22Å; Y694-M749 HydrophobicContact CE2-CB 3.6Å; Y694-M749 HydrophobicContact CE2-CG 3.83Å; Y694-M749 VanDerWaalsContact OH-CB 3.3Å; Y694-M749 WeakPolarHBondContact OH-CB 3.25Å; M707-M749 HydrophobicContact CE-CE 3.79Å; M707-M749 HydrophobicContact CE-SD 4.38Å; M707-M749 HydrophobicContact CG-CE 3.79Å; M707-M749 HydrophobicContact CG-SD 4.06Å; M707-M749 HydrophobicContact SD-CE 3.92Å; L710-M749 HydrophobicContact CD1-SD 4.31Å; F745-M749 HydrophobicContact CD1-CG 4.15Å; F745-M749 HydrophobicContact CD2-CG 4.18Å; F745-M749 HydrophobicContact CE1-CG 3.75Å; F745-M749 HydrophobicContact CE1-SD 4.37Å; F745-M749 HydrophobicContact CE2-CG 3.79Å; F745-M749 HydrophobicContact CE2-SD 3.75Å; F745-M749 HydrophobicContact CG-CG 4.35Å; F745-M749 HydrophobicContact CZ-CG 3.56Å; F745-M749 HydrophobicContact CZ-SD 3.61Å; F745-M749 WeakPolarHBondContact O-CB 3.37Å; F745-M749 VanDerWaalsContact O-CG 3.22Å; F745-M749 WeakPolarHBondContact O-CG 3.26Å; F745-M749 PolarHBondContact O-N 3.1Å; S746-M749 PolarHBondContact O-N 3.15Å; K747-M749 VanDerWaalsContact C-N 3.25Å; K747-M749 PolarHBondContact O-N 3.18Å; M749-R751 PolarHBondContact O-N 3.31Å; M749-M752 PolarHBondContact O-N 3.36Å; M749-G753 WeakPolarHBondContact O-CA 3.06Å; M749-G753 PolarHBondContact O-N 3.41Å; M749-F756 HydrophobicContact CE-CD2 4.36Å; M749-F756 HydrophobicContact CE-CE2 3.27Å; M749-F756 HydrophobicContact CE-CZ 3.58Å; M749-F756 HydrophobicContact SD-CE2 4.39Å; M749-F756 HydrophobicContact SD-CZ 4.11Å |
| 750 | E | 93.2 | Very high | 89.9 | Confident | 113 Ų | 113 | 39 Ų | 39 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.9 | -32.6 | 170.9 | -70.4 | 173.7 | -157.9 | 0 | 0 | 111.9 | S746 K747 Q754 | S746-E750 PolarHBondContact O-N 2.99Å; S746-E750 VanDerWaalsContact O-N 3.16Å; K747-E750 IonicContact NZ-OE1 2.69Å; K747-E750 PolarHBondContact NZ-OE1 3.1Å; K747-E750 IonicContact NZ-OE2 3.34Å; K747-E750 PolarHBondContact NZ-OE2 2.62Å; K747-E750 PolarHBondContact O-N 3.45Å; E750-Q754 PolarHBondContact O-NE2 3.31Å; E750-Q754 VanDerWaalsContact O-NE2 3.15Å |
| 751 | R | 92.2 | Very high | 89.3 | Confident | 61 Ų | 61 | 41.6 Ų | 41.6 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -86.3 | -51.7 | 175.4 | -176.2 | -174.9 | 62.2 | 144 | 4.2 | 112.1 | L748 M749 D804 I821 W822 | L748-R751 PolarHBondContact O-N 2.93Å; M749-R751 PolarHBondContact O-N 3.31Å; R751-D804 IonicContact CZ-OD2 3.5Å; R751-D804 VanDerWaalsContact CZ-OD2 3.25Å; R751-D804 IonicContact NH1-OD2 3.42Å; R751-D804 PolarHBondContact NH1-OD2 3.41Å; R751-D804 IonicContact NH2-OD2 2.84Å; R751-D804 PolarHBondContact NH2-OD2 3.33Å; R751-I821 VanDerWaalsContact NH1-CG2 3.3Å; R751-W822 VanDerWaalsContact NH1-CD1 3.34Å |
| 752 | M | 92.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.1 | -29.1 | -173 | -59.8 | -53.5 | -71.8 | 0 | 0 | 112.9 | L710 L748 M749 Q754 L755 F756 F801 L802 D804 | L710-M752 HydrophobicContact CD1-CB 3.92Å; L710-M752 HydrophobicContact CD1-CG 4.01Å; L710-M752 HydrophobicContact CD2-CE 4.19Å; L710-M752 HydrophobicContact CD2-CG 4.5Å; L748-M752 HydrophobicContact CD1-CG 3.64Å; L748-M752 HydrophobicContact CD1-SD 4.33Å; L748-M752 HydrophobicContact CG-CG 3.91Å; L748-M752 WeakPolarHBondContact O-CG 3.39Å; L748-M752 PolarHBondContact O-N 3.16Å; M749-M752 PolarHBondContact O-N 3.36Å; M752-Q754 PolarHBondContact O-N 2.8Å; M752-L755 HydrophobicContact CE-CD1 3.94Å; M752-L755 WeakPolarHBondContact O-CB 3.33Å; M752-L755 PolarHBondContact O-N 3.43Å; M752-L755 HydrophobicContact SD-CD1 4.16Å; M752-F756 WeakPolarHBondContact O-CD1 3.35Å; M752-F801 VanDerWaalsContact CE-O 3.22Å; M752-F801 WeakPolarHBondContact CE-O 3.48Å; M752-L802 WeakPolarHBondContact CE-O 3.5Å; M752-D804 HydrophobicContact CE-CB 4.08Å |
| 753 | G | 89.8 | Confident | 88.5 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -62.2 | -23.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M749 L755 F756 S759 | M749-G753 WeakPolarHBondContact O-CA 3.06Å; M749-G753 PolarHBondContact O-N 3.41Å; G753-L755 PolarHBondContact O-N 2.86Å; G753-F756 PolarHBondContact O-N 2.98Å; G753-S759 PolarHBondContact O-OG 2.6Å; G753-S759 VanDerWaalsContact O-OG 3.1Å |
| 754 | Q | 90 | Very high | 88.1 | Confident | 116 Ų | 116 | 46.4 Ų | 46.4 | 54% | 0.542 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -69.6 | -20.9 | 173.4 | -57.5 | 179.8 | 20.2 | 0 | 0 | 112.4 | E750 M752 S759 A762 | E750-Q754 PolarHBondContact O-NE2 3.31Å; E750-Q754 VanDerWaalsContact O-NE2 3.15Å; M752-Q754 PolarHBondContact O-N 2.8Å; Q754-S759 WeakPolarHBondContact O-CB 3.33Å; Q754-A762 HydrophobicContact CB-CB 4.01Å; Q754-A762 WeakPolarHBondContact O-CB 3.2Å |
| 755 | L | 90.3 | Very high | 87.7 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -90.6 | -8.6 | 179.7 | -60.8 | 173 | 0 | 0 | 0 | 112.8 | M752 G753 A762 M763 F801 | M752-L755 HydrophobicContact CE-CD1 3.94Å; M752-L755 WeakPolarHBondContact O-CB 3.33Å; M752-L755 PolarHBondContact O-N 3.43Å; M752-L755 HydrophobicContact SD-CD1 4.16Å; G753-L755 PolarHBondContact O-N 2.86Å; L755-A762 HydrophobicContact CD2-CB 3.86Å; L755-M763 HydrophobicContact CB-CE 4.1Å; L755-M763 HydrophobicContact CD2-CB 4.49Å; L755-M763 WeakPolarHBondContact O-CE 3.48Å; L755-F801 WeakPolarHBondContact CD1-O 3.4Å |
| 756 | F | 89.1 | Confident | 87.4 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -74.2 | 151.7 | -177.2 | -69.1 | -6.5 | 0 | 0 | 0 | 112.5 | V704 M707 L710 M749 M752 G753 G758 S759 L802 | V704-F756 HydrophobicContact CB-CD2 3.59Å; V704-F756 HydrophobicContact CB-CE2 3.6Å; V704-F756 HydrophobicContact CB-CG 4.24Å; V704-F756 HydrophobicContact CB-CZ 4.31Å; V704-F756 HydrophobicContact CG1-CB 4.24Å; V704-F756 HydrophobicContact CG1-CD1 4.27Å; V704-F756 HydrophobicContact CG1-CD2 3.73Å; V704-F756 HydrophobicContact CG1-CE2 4Å; V704-F756 HydrophobicContact CG1-CG 3.84Å; V704-F756 HydrophobicContact CG1-CZ 4.42Å; V704-F756 HydrophobicContact CG2-CD2 3.56Å; V704-F756 HydrophobicContact CG2-CE2 3.96Å; V704-F756 HydrophobicContact CG2-CG 4.34Å; M707-F756 HydrophobicContact CG-CE2 3.93Å; M707-F756 HydrophobicContact CG-CZ 3.87Å; M707-F756 HydrophobicContact SD-CE2 4.24Å; L710-F756 HydrophobicContact CD1-CE1 4.48Å; L710-F756 HydrophobicContact CD1-CZ 4.37Å; M749-F756 HydrophobicContact CE-CD2 4.36Å; M749-F756 HydrophobicContact CE-CE2 3.27Å; M749-F756 HydrophobicContact CE-CZ 3.58Å; M749-F756 HydrophobicContact SD-CE2 4.39Å; M749-F756 HydrophobicContact SD-CZ 4.11Å; M752-F756 WeakPolarHBondContact O-CD1 3.35Å; G753-F756 PolarHBondContact O-N 2.98Å; F756-G758 PolarHBondContact O-N 3.31Å; F756-S759 WeakPolarHBondContact O-CB 3.47Å; F756-S759 PolarHBondContact O-N 3.07Å; F756-L802 HydrophobicContact CD1-CD1 3.56Å; F756-L802 HydrophobicContact CE1-CD1 3.99Å |
| 757 | P | 80.1 | Confident | 87.2 | Confident | 94 Ų | 94 | 48.5 Ų | 48.5 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 130.1 | 171.9 | -22.6 | 30.6 | 0 | 0 | 0 | 111.4 | Y798 | P757-Y798 WeakPolarHBondContact CG-OH 3.45Š|
| 758 | G | 73.2 | Confident | 86.8 | Confident | 81 Ų | 81 | 48 Ų | 48 | 84% | 0.835 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.2 | -32.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F756 S760 | F756-G758 PolarHBondContact O-N 3.31Å; G758-S760 PolarHBondContact O-N 3.18Å |
| 759 | S | 69.1 | Low | 86.5 | Confident | 55 Ų | 55 | 49.7 Ų | 49.7 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | trans | -85.4 | 84.7 | 171.2 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | G753 Q754 F756 S761 | G753-S759 PolarHBondContact O-OG 2.6Å; G753-S759 VanDerWaalsContact O-OG 3.1Å; Q754-S759 WeakPolarHBondContact O-CB 3.33Å; F756-S759 WeakPolarHBondContact O-CB 3.47Å; F756-S759 PolarHBondContact O-N 3.07Å; S759-S761 VanDerWaalsContact C-N 3.31Å; S759-S761 PolarHBondContact O-N 3.19Å; S759-S761 VanDerWaalsContact O-N 3.1Å | ||
| 760 | S | 61.6 | Low | 86.3 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 69% | 0.692 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -10.7 | -159 | 58.8 | 0 | 0 | 0 | 0 | 117.4 | G758 | G758-S760 PolarHBondContact O-N 3.18Š|
| 761 | S | 79 | Confident | 86.1 | Confident | 83 Ų | 83 | 45 Ų | 45 | 58% | 0.58 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -33.3 | -167.7 | 64.6 | 0 | 0 | 0 | 0 | 116.2 | S759 S765 | S759-S761 VanDerWaalsContact C-N 3.31Å; S759-S761 PolarHBondContact O-N 3.19Å; S759-S761 VanDerWaalsContact O-N 3.1Å; S761-S765 WeakPolarHBondContact O-CB 3.37Å; S761-S765 PolarHBondContact O-N 3.42Å; S761-S765 PolarHBondContact O-OG 3.35Å |
| 762 | A | 87.8 | Confident | 85.8 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 17% | 0.165 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75.2 | -45.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q754 L755 S765 C766 | Q754-A762 HydrophobicContact CB-CB 4.01Å; Q754-A762 WeakPolarHBondContact O-CB 3.2Å; L755-A762 HydrophobicContact CD2-CB 3.86Å; A762-S765 WeakPolarHBondContact O-CB 3.25Å; A762-S765 PolarHBondContact O-N 2.97Å; A762-C766 PolarHBondContact O-N 2.8Å; A762-C766 PolarHBondContact O-SG 2.93Å |
| 763 | M | 90.2 | Very high | 85.6 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 177.1 | -179.9 | 61.1 | 75.7 | 0 | 0 | 111.8 | L755 S765 C766 L767 Y798 F801 L802 | L755-M763 HydrophobicContact CB-CE 4.1Å; L755-M763 HydrophobicContact CD2-CB 4.49Å; L755-M763 WeakPolarHBondContact O-CE 3.48Å; M763-S765 PolarHBondContact O-N 3.46Å; M763-C766 PolarHBondContact O-N 3.47Å; M763-C766 VanDerWaalsContact O-N 3.15Å; M763-L767 HydrophobicContact CG-CD1 4.36Å; M763-L767 PolarHBondContact O-N 2.88Å; M763-L767 HydrophobicContact SD-CG 4.4Å; M763-Y798 HydrophobicContact CE-CD2 3.99Å; M763-Y798 HydrophobicContact CE-CE1 4.4Å; M763-Y798 HydrophobicContact CE-CE2 3.83Å; M763-Y798 HydrophobicContact CE-CG 4.34Å; M763-Y798 HydrophobicContact CG-CD2 3.74Å; M763-Y798 HydrophobicContact CG-CE2 3.49Å; M763-Y798 VanDerWaalsContact CG-CE2 3.49Å; M763-Y798 HydrophobicContact SD-CD2 3.72Å; M763-Y798 HydrophobicContact SD-CE2 3.94Å; M763-Y798 HydrophobicContact SD-CG 4.35Å; M763-F801 HydrophobicContact CE-CB 3.97Å; M763-F801 HydrophobicContact SD-CB 3.92Å; M763-F801 HydrophobicContact SD-CD2 4.35Å; M763-L802 HydrophobicContact CE-CB 4.2Å; M763-L802 HydrophobicContact CE-CD1 4.46Å |
| 764 | D | 89.8 | Confident | 85.4 | Confident | 105 Ų | 105 | 42.5 Ų | 42.5 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.7 | -37.2 | 176.9 | -74 | -5.7 | 0 | 0 | 0 | 111.4 | S768 | D764-S768 WeakPolarHBondContact O-CB 3.43Å; D764-S768 PolarHBondContact O-N 3.02Å |
| 765 | S | 89.4 | Confident | 85.2 | Confident | 46 Ų | 46 | 40 Ų | 40 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 173.9 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | S761 A762 M763 L767 S768 Y769 | S761-S765 WeakPolarHBondContact O-CB 3.37Å; S761-S765 PolarHBondContact O-N 3.42Å; S761-S765 PolarHBondContact O-OG 3.35Å; A762-S765 WeakPolarHBondContact O-CB 3.25Å; A762-S765 PolarHBondContact O-N 2.97Å; M763-S765 PolarHBondContact O-N 3.46Å; S765-L767 PolarHBondContact O-N 3.44Å; S765-S768 PolarHBondContact O-N 3.39Å; S765-Y769 WeakPolarHBondContact O-CD2 3.45Å; S765-Y769 VanDerWaalsContact O-CG 3.24Å; S765-Y769 PolarHBondContact O-N 3.41Å |
| 766 | C | 91.7 | Very high | 84.7 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 177.5 | -71.4 | 0 | 0 | 0 | 0 | 112.3 | A762 M763 Y769 V770 F801 | A762-C766 PolarHBondContact O-N 2.8Å; A762-C766 PolarHBondContact O-SG 2.93Å; M763-C766 PolarHBondContact O-N 3.47Å; M763-C766 VanDerWaalsContact O-N 3.15Å; C766-Y769 PolarHBondContact O-N 3.3Å; C766-V770 WeakPolarHBondContact O-CG2 3.22Å; C766-V770 PolarHBondContact O-N 3.19Å; C766-V770 VanDerWaalsContact O-N 3.08Å; C766-F801 HydrophobicContact CB-CD1 4.18Å; C766-F801 HydrophobicContact CB-CD2 4.01Å; C766-F801 HydrophobicContact CB-CE1 4.27Å; C766-F801 HydrophobicContact CB-CE2 4.09Å; C766-F801 HydrophobicContact CB-CG 4.06Å; C766-F801 HydrophobicContact CB-CZ 4.22Å |
| 767 | L | 91.6 | Very high | 84.3 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 176.9 | -66.8 | 175.9 | 0 | 0 | 0 | 111.5 | M763 S765 Y769 V770 V771 F795 C797 Y798 F801 | M763-L767 HydrophobicContact CG-CD1 4.36Å; M763-L767 PolarHBondContact O-N 2.88Å; M763-L767 HydrophobicContact SD-CG 4.4Å; S765-L767 PolarHBondContact O-N 3.44Å; L767-Y769 VanDerWaalsContact C-N 3.32Å; L767-Y769 PolarHBondContact O-N 3.34Å; L767-V770 PolarHBondContact O-N 3.49Å; L767-V771 WeakPolarHBondContact O-CG2 3.5Å; L767-V771 PolarHBondContact O-N 2.92Å; L767-F795 HydrophobicContact CD1-CD2 4.14Å; L767-C797 HydrophobicContact CD2-CB 4.07Å; L767-Y798 HydrophobicContact CD1-CD2 4.47Å; L767-F801 HydrophobicContact CD2-CD2 4.21Å; L767-F801 HydrophobicContact CD2-CE2 4.15Å |
| 768 | S | 89.1 | Confident | 84.5 | Confident | 54 Ų | 54 | 38.7 Ų | 38.7 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 176.4 | -171 | 0 | 0 | 0 | 0 | 112 | D764 S765 V771 Q772 | D764-S768 WeakPolarHBondContact O-CB 3.43Å; D764-S768 PolarHBondContact O-N 3.02Å; S765-S768 PolarHBondContact O-N 3.39Å; S768-V771 PolarHBondContact O-N 3.43Å; S768-Q772 WeakPolarHBondContact O-CB 3.27Å; S768-Q772 WeakPolarHBondContact O-CG 3.16Å; S768-Q772 PolarHBondContact O-N 3.13Å; S768-Q772 PolarHBondContact O-NE2 2.97Å; S768-Q772 PolarHBondContact OG-NE2 3.32Å |
| 769 | Y | 90.8 | Very high | 84.9 | Confident | 37 Ų | 37 | 39.2 Ų | 39.2 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.5 | -68.4 | -48.4 | 0 | 0 | 0 | 112.4 | H431 L432 S434 L435 S765 C766 L767 Q772 L773 V834 | H431-Y769 VanDerWaalsContact O-CE1 3.29Å; H431-Y769 WeakPolarHBondContact O-CE1 3.46Å; L432-Y769 HydrophobicContact CD2-CD1 4.21Å; S434-Y769 WeakPolarHBondContact OG-CE1 3.31Å; S434-Y769 PolarHBondContact OG-OH 3.05Å; L435-Y769 HydrophobicContact CD1-CD1 3.97Å; L435-Y769 HydrophobicContact CD1-CG 4.05Å; L435-Y769 HydrophobicContact CD2-CD1 4.09Å; L435-Y769 HydrophobicContact CD2-CD2 3.62Å; L435-Y769 HydrophobicContact CD2-CE1 4.33Å; L435-Y769 HydrophobicContact CD2-CE2 3.9Å; L435-Y769 HydrophobicContact CD2-CG 3.75Å; L435-Y769 HydrophobicContact CG-CD1 3.96Å; L435-Y769 HydrophobicContact CG-CD2 4.4Å; L435-Y769 HydrophobicContact CG-CE1 4.19Å; L435-Y769 HydrophobicContact CG-CG 4.09Å; S765-Y769 WeakPolarHBondContact O-CD2 3.45Å; S765-Y769 VanDerWaalsContact O-CG 3.24Å; S765-Y769 PolarHBondContact O-N 3.41Å; C766-Y769 PolarHBondContact O-N 3.3Å; L767-Y769 VanDerWaalsContact C-N 3.32Å; L767-Y769 PolarHBondContact O-N 3.34Å; Y769-Q772 PolarHBondContact O-N 3.35Å; Y769-L773 WeakPolarHBondContact O-CB 3.25Å; Y769-L773 PolarHBondContact O-N 3.1Å; Y769-V834 HydrophobicContact CD2-CG2 4.35Å |
| 770 | V | 91.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | C766 L767 Q772 L773 L774 C794 F801 V834 A837 I841 | C766-V770 WeakPolarHBondContact O-CG2 3.22Å; C766-V770 PolarHBondContact O-N 3.19Å; C766-V770 VanDerWaalsContact O-N 3.08Å; L767-V770 PolarHBondContact O-N 3.49Å; V770-Q772 PolarHBondContact O-N 2.82Å; V770-L773 PolarHBondContact O-N 3.1Å; V770-L774 WeakPolarHBondContact O-CB 3.34Å; V770-L774 PolarHBondContact O-N 3.25Å; V770-C794 HydrophobicContact CG1-CB 4.13Å; V770-F801 HydrophobicContact CG2-CE2 3.9Å; V770-F801 HydrophobicContact CG2-CZ 3.53Å; V770-V834 HydrophobicContact CG2-CG1 4.08Å; V770-A837 HydrophobicContact CG2-CB 4.21Å; V770-I841 HydrophobicContact CG1-CD1 3.84Å |
| 771 | V | 89.2 | Confident | 86.9 | Confident | 20 Ų | 20 | 37.2 Ų | 37.2 | 12% | 0.121 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 179.4 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | L767 S768 L774 Q775 F782 H793 C794 | L767-V771 WeakPolarHBondContact O-CG2 3.5Å; L767-V771 PolarHBondContact O-N 2.92Å; S768-V771 PolarHBondContact O-N 3.43Å; V771-L774 PolarHBondContact O-N 3.39Å; V771-Q775 WeakPolarHBondContact O-CB 3.46Å; V771-Q775 PolarHBondContact O-N 3.24Å; V771-F782 HydrophobicContact CG1-CD2 4.49Å; V771-F782 HydrophobicContact CG1-CE2 3.83Å; V771-H793 HydrophobicContact CG2-CB 4.04Å; V771-H793 VanDerWaalsContact CG2-O 3.24Å; V771-H793 WeakPolarHBondContact CG2-O 3.29Å; V771-C794 HydrophobicContact CG2-CB 4.14Å |
| 772 | Q | 87.1 | Confident | 87.3 | Confident | 26 Ų | 26 | 34.6 Ų | 34.6 | 12% | 0.121 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.9 | -39.8 | -179.9 | -68.6 | 168.3 | 35.5 | 0 | 0 | 112.2 | L432 S768 Y769 V770 L774 Q775 V776 | L432-Q772 HydrophobicContact CD2-CB 3.87Å; S768-Q772 WeakPolarHBondContact O-CB 3.27Å; S768-Q772 WeakPolarHBondContact O-CG 3.16Å; S768-Q772 PolarHBondContact O-N 3.13Å; S768-Q772 PolarHBondContact O-NE2 2.97Å; S768-Q772 PolarHBondContact OG-NE2 3.32Å; Y769-Q772 PolarHBondContact O-N 3.35Å; V770-Q772 PolarHBondContact O-N 2.82Å; Q772-L774 VanDerWaalsContact C-N 3.3Å; Q772-L774 PolarHBondContact O-N 2.85Å; Q772-Q775 PolarHBondContact O-N 3.17Å; Q772-V776 WeakPolarHBondContact O-CB 3.3Å; Q772-V776 VanDerWaalsContact O-CG2 3.25Å; Q772-V776 WeakPolarHBondContact O-CG2 3.46Å; Q772-V776 PolarHBondContact O-N 3.08Å |
| 773 | L | 87.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 176.9 | -168.4 | 63 | 0 | 0 | 0 | 110.9 | L432 Y769 V770 V776 V777 V834 F835 F838 M881 | L432-L773 HydrophobicContact CD1-CD1 4.21Å; Y769-L773 WeakPolarHBondContact O-CB 3.25Å; Y769-L773 PolarHBondContact O-N 3.1Å; V770-L773 PolarHBondContact O-N 3.1Å; L773-V776 PolarHBondContact O-N 2.82Å; L773-V777 HydrophobicContact CD1-CG2 4.33Å; L773-V777 WeakPolarHBondContact O-CB 3.02Å; L773-V777 PolarHBondContact O-N 3.18Å; L773-V834 HydrophobicContact CD2-CG1 4.39Å; L773-F835 HydrophobicContact CD2-CD1 4.28Å; L773-F835 HydrophobicContact CD2-CE1 4.44Å; L773-F838 HydrophobicContact CB-CD2 4.28Å; L773-F838 HydrophobicContact CD2-CB 3.8Å; L773-F838 HydrophobicContact CD2-CD1 4.5Å; L773-F838 HydrophobicContact CD2-CD2 3.75Å; L773-F838 HydrophobicContact CD2-CE2 4.48Å; L773-F838 HydrophobicContact CD2-CG 3.75Å; L773-F838 HydrophobicContact CG-CD2 3.82Å; L773-F838 HydrophobicContact CG-CE2 4.11Å; L773-F838 HydrophobicContact CG-CG 4.26Å; L773-M881 HydrophobicContact CD1-CE 3.88Å; L773-M881 HydrophobicContact CD1-CG 4.23Å; L773-M881 HydrophobicContact CD1-SD 3.69Å; L773-M881 HydrophobicContact CD2-CE 4.08Å; L773-M881 HydrophobicContact CD2-CG 3.97Å; L773-M881 HydrophobicContact CD2-SD 4.37Å; L773-M881 HydrophobicContact CG-CE 3.76Å; L773-M881 HydrophobicContact CG-CG 4.43Å; L773-M881 HydrophobicContact CG-SD 4.19Å |
| 774 | L | 86.8 | Confident | 86.8 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -46.9 | 173.2 | -165 | 68.6 | 0 | 0 | 0 | 111.7 | V770 V771 Q772 V776 V777 D778 L781 F782 V785 F838 I841 | V770-L774 WeakPolarHBondContact O-CB 3.34Å; V770-L774 PolarHBondContact O-N 3.25Å; V771-L774 PolarHBondContact O-N 3.39Å; Q772-L774 VanDerWaalsContact C-N 3.3Å; Q772-L774 PolarHBondContact O-N 2.85Å; L774-V776 PolarHBondContact O-N 3.43Å; L774-V777 PolarHBondContact O-N 3.15Å; L774-D778 HydrophobicContact CD1-CB 4.06Å; L774-D778 CarbonylContact O-C 3.59Å; L774-D778 WeakPolarHBondContact O-CA 3.29Å; L774-D778 PolarHBondContact O-N 2.87Å; L774-D778 VanDerWaalsContact O-O 3.07Å; L774-L781 HydrophobicContact CD1-CB 4.13Å; L774-L781 HydrophobicContact CD1-CD2 3.8Å; L774-L781 HydrophobicContact CD1-CG 3.94Å; L774-L781 HydrophobicContact CD2-CG 4.32Å; L774-F782 HydrophobicContact CD2-CB 4.19Å; L774-F782 HydrophobicContact CG-CB 3.96Å; L774-V785 HydrophobicContact CD2-CG2 4.39Å; L774-F838 HydrophobicContact CD1-CE2 4Å; L774-I841 HydrophobicContact CD1-CG2 4.46Å |
| 775 | Q | 84.6 | Confident | 86.5 | Confident | 65 Ų | 65 | 34 Ų | 34 | 30% | 0.304 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59 | -35.9 | 177.2 | -171.2 | 177.7 | 19.6 | 0 | 0 | 112.9 | M427 V771 Q772 F782 | M427-Q775 VanDerWaalsContact CE-CD 3.46Å; M427-Q775 HydrophobicContact CE-CG 4.2Å; V771-Q775 WeakPolarHBondContact O-CB 3.46Å; V771-Q775 PolarHBondContact O-N 3.24Å; Q772-Q775 PolarHBondContact O-N 3.17Å; Q775-F782 HydrophobicContact CB-CD1 4.38Å; Q775-F782 HydrophobicContact CB-CD2 3.74Å; Q775-F782 HydrophobicContact CB-CE1 4.49Å; Q775-F782 HydrophobicContact CB-CE2 3.86Å; Q775-F782 HydrophobicContact CB-CG 4.01Å; Q775-F782 HydrophobicContact CB-CZ 4.25Å; Q775-F782 HydrophobicContact CG-CD1 4.14Å; Q775-F782 HydrophobicContact CG-CD2 4.3Å; Q775-F782 HydrophobicContact CG-CE1 4.01Å; Q775-F782 HydrophobicContact CG-CE2 4.17Å; Q775-F782 HydrophobicContact CG-CG 4.28Å; Q775-F782 HydrophobicContact CG-CZ 4.03Å |
| 776 | V | 79.6 | Confident | 86.1 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 13% | 0.127 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.8 | -47.5 | -179.2 | 165.3 | 0 | 0 | 0 | 0 | 111.3 | H424 M427 I428 L432 Q772 L773 L774 | H424-V776 VanDerWaalsContact CE1-CG1 3.41Å; H424-V776 WeakPolarHBondContact CE1-CG1 3.37Å; H424-V776 PolarHBondContact CE1-O 3.19Å; M427-V776 HydrophobicContact SD-CG2 3.51Å; M427-V776 VanDerWaalsContact SD-CG2 3.51Å; I428-V776 HydrophobicContact CD1-CG1 3.68Å; I428-V776 HydrophobicContact CG1-CG1 3.79Å; I428-V776 HydrophobicContact CG1-CG2 3.92Å; L432-V776 HydrophobicContact CD1-CG2 4.17Å; Q772-V776 WeakPolarHBondContact O-CB 3.3Å; Q772-V776 VanDerWaalsContact O-CG2 3.25Å; Q772-V776 WeakPolarHBondContact O-CG2 3.46Å; Q772-V776 PolarHBondContact O-N 3.08Å; L773-V776 PolarHBondContact O-N 2.82Å; L774-V776 PolarHBondContact O-N 3.43Å |
| 777 | V | 80.3 | Confident | 85.5 | Confident | 62 Ų | 62 | 47 Ų | 47 | 38% | 0.376 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -97.4 | -29.7 | -167.9 | 178.8 | 0 | 0 | 0 | 0 | 113.3 | L773 L774 F838 M881 | L773-V777 HydrophobicContact CD1-CG2 4.33Å; L773-V777 WeakPolarHBondContact O-CB 3.02Å; L773-V777 PolarHBondContact O-N 3.18Å; L774-V777 PolarHBondContact O-N 3.15Å; V777-F838 HydrophobicContact CB-CZ 4.05Å; V777-F838 HydrophobicContact CG1-CZ 3.97Å; V777-M881 HydrophobicContact CB-CE 3.6Å; V777-M881 HydrophobicContact CG1-CE 3.52Å; V777-M881 HydrophobicContact CG1-SD 4.49Å; V777-M881 HydrophobicContact CG2-CE 3.45Å; V777-M881 VanDerWaalsContact CG2-CE 3.45Å; V777-M881 HydrophobicContact CG2-SD 3.8Å |
| 778 | D | 85.2 | Confident | 84.8 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 6% | 0.064 | 23% | 0.229 | C | C | . | . | trans | -141.9 | 74 | -175.4 | -162.4 | -18.1 | 0 | 0 | 0 | 111.6 | L774 E780 L781 F782 Q842 R845 | L774-D778 HydrophobicContact CD1-CB 4.06Å; L774-D778 CarbonylContact O-C 3.59Å; L774-D778 WeakPolarHBondContact O-CA 3.29Å; L774-D778 PolarHBondContact O-N 2.87Å; L774-D778 VanDerWaalsContact O-O 3.07Å; D778-E780 PolarHBondContact O-N 3.47Å; D778-L781 HydrophobicContact CB-CB 4.31Å; D778-L781 PolarHBondContact O-N 3.49Å; D778-L781 PolarHBondContact OD1-N 3.33Å; D778-F782 WeakPolarHBondContact O-CB 3.44Å; D778-F782 PolarHBondContact O-N 3.47Å; D778-Q842 PolarHBondContact OD2-NE2 2.81Å; D778-R845 IonicContact OD1-CZ 3.45Å; D778-R845 IonicContact OD1-NE 3.11Å; D778-R845 PolarHBondContact OD1-NE 3.22Å; D778-R845 IonicContact OD1-NH2 3.68Å; D778-R845 PolarHBondContact OD1-NH2 3.43Å; D778-R845 WeakPolarHBondContact OD2-CD 3.46Å; D778-R845 IonicContact OD2-CZ 3.89Å; D778-R845 IonicContact OD2-NE 2.82Å; D778-R845 PolarHBondContact OD2-NE 2.87Å; D778-R845 IonicContact OD2-NH2 2.8Å | ||
| 779 | H | 82.6 | Confident | 83.6 | Confident | 92 Ų | 92 | 45.8 Ų | 45.8 | 43% | 0.426 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.8 | -30 | -176.5 | -166.2 | -73.1 | 0 | 0 | 0 | 113 | D783 | H779-D783 IonicContact CE1-OD1 3.29Å; H779-D783 PolarHBondContact CE1-OD1 2.82Å; H779-D783 IonicContact CE1-OD2 3.85Å; H779-D783 PolarHBondContact CE1-OD2 3.05Å; H779-D783 VanDerWaalsContact ND1-CG 3.34Å; H779-D783 IonicContact ND1-OD1 2.63Å; H779-D783 PolarHBondContact ND1-OD1 3Å; H779-D783 IonicContact ND1-OD2 3.13Å; H779-D783 PolarHBondContact ND1-OD2 3.09Å; H779-D783 WeakPolarHBondContact O-CB 3.42Å; H779-D783 VanDerWaalsContact O-CG 3.23Å; H779-D783 PolarHBondContact O-N 2.98Å |
| 780 | E | 85.7 | Confident | 81.9 | Confident | 111 Ų | 111 | 50.8 Ų | 50.8 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.8 | -48.5 | 177.4 | 178.3 | 179.1 | -147.7 | 0 | 0 | 111.2 | D778 F782 D783 L784 R845 | D778-E780 PolarHBondContact O-N 3.47Å; E780-F782 VanDerWaalsContact C-N 3.33Å; E780-D783 PolarHBondContact O-N 3.47Å; E780-L784 PolarHBondContact O-N 2.94Å; E780-R845 IonicContact OE2-CZ 3.9Å; E780-R845 IonicContact OE2-NH1 3.02Å; E780-R845 IonicContact OE2-NH2 3.68Å; E780-R845 PolarHBondContact OE2-NH2 2.88Å |
| 781 | L | 87 | Confident | 80.4 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 176.2 | -178.1 | 57.2 | 0 | 0 | 0 | 111.3 | L774 D778 L784 V785 I841 R845 I848 V849 | L774-L781 HydrophobicContact CD1-CB 4.13Å; L774-L781 HydrophobicContact CD1-CD2 3.8Å; L774-L781 HydrophobicContact CD1-CG 3.94Å; L774-L781 HydrophobicContact CD2-CG 4.32Å; D778-L781 HydrophobicContact CB-CB 4.31Å; D778-L781 PolarHBondContact O-N 3.49Å; D778-L781 PolarHBondContact OD1-N 3.33Å; L781-L784 HydrophobicContact CD1-CD2 4.31Å; L781-L784 PolarHBondContact O-N 3.41Å; L781-V785 HydrophobicContact CD1-CG2 4.13Å; L781-V785 HydrophobicContact CG-CG2 4.45Å; L781-V785 VanDerWaalsContact O-CG2 3.32Å; L781-V785 WeakPolarHBondContact O-CG2 3.38Å; L781-V785 PolarHBondContact O-N 2.81Å; L781-I841 HydrophobicContact CD2-CG2 3.48Å; L781-I841 VanDerWaalsContact CD2-CG2 3.48Å; L781-R845 HydrophobicContact CD2-CG 4.05Å; L781-I848 HydrophobicContact CD1-CB 4.29Å; L781-I848 HydrophobicContact CD1-CG2 3.68Å; L781-V849 HydrophobicContact CD1-CG2 4.05Å |
| 782 | F | 85.7 | Confident | 79.2 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 172.1 | 173 | -97.3 | 0 | 0 | 0 | 112.1 | V771 L774 Q775 D778 E780 L784 V785 Y786 | V771-F782 HydrophobicContact CG1-CD2 4.49Å; V771-F782 HydrophobicContact CG1-CE2 3.83Å; L774-F782 HydrophobicContact CD2-CB 4.19Å; L774-F782 HydrophobicContact CG-CB 3.96Å; Q775-F782 HydrophobicContact CB-CD1 4.38Å; Q775-F782 HydrophobicContact CB-CD2 3.74Å; Q775-F782 HydrophobicContact CB-CE1 4.49Å; Q775-F782 HydrophobicContact CB-CE2 3.86Å; Q775-F782 HydrophobicContact CB-CG 4.01Å; Q775-F782 HydrophobicContact CB-CZ 4.25Å; Q775-F782 HydrophobicContact CG-CD1 4.14Å; Q775-F782 HydrophobicContact CG-CD2 4.3Å; Q775-F782 HydrophobicContact CG-CE1 4.01Å; Q775-F782 HydrophobicContact CG-CE2 4.17Å; Q775-F782 HydrophobicContact CG-CG 4.28Å; Q775-F782 HydrophobicContact CG-CZ 4.03Å; D778-F782 WeakPolarHBondContact O-CB 3.44Å; D778-F782 PolarHBondContact O-N 3.47Å; E780-F782 VanDerWaalsContact C-N 3.33Å; F782-L784 VanDerWaalsContact C-N 3.31Å; F782-L784 PolarHBondContact O-N 3.38Å; F782-V785 PolarHBondContact O-N 3.15Å; F782-Y786 VanDerWaalsContact O-CB 3.27Å; F782-Y786 WeakPolarHBondContact O-CB 3.5Å; F782-Y786 PolarHBondContact O-N 2.86Å |
| 783 | D | 83.7 | Confident | 78.6 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 179.7 | -77.1 | -25.1 | 0 | 0 | 0 | 111.7 | H779 E780 R787 | H779-D783 IonicContact CE1-OD1 3.29Å; H779-D783 PolarHBondContact CE1-OD1 2.82Å; H779-D783 IonicContact CE1-OD2 3.85Å; H779-D783 PolarHBondContact CE1-OD2 3.05Å; H779-D783 VanDerWaalsContact ND1-CG 3.34Å; H779-D783 IonicContact ND1-OD1 2.63Å; H779-D783 PolarHBondContact ND1-OD1 3Å; H779-D783 IonicContact ND1-OD2 3.13Å; H779-D783 PolarHBondContact ND1-OD2 3.09Å; H779-D783 WeakPolarHBondContact O-CB 3.42Å; H779-D783 VanDerWaalsContact O-CG 3.23Å; H779-D783 PolarHBondContact O-N 2.98Å; E780-D783 PolarHBondContact O-N 3.47Å; D783-R787 VanDerWaalsContact O-CB 3.22Å; D783-R787 WeakPolarHBondContact O-CB 3.15Å; D783-R787 PolarHBondContact O-N 3.08Å |
| 784 | L | 84.6 | Confident | 78.5 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.5 | -51.6 | 176.4 | 179.8 | 67.4 | 0 | 0 | 0 | 111.6 | E780 L781 F782 Y786 R787 N788 I848 V849 | E780-L784 PolarHBondContact O-N 2.94Å; L781-L784 HydrophobicContact CD1-CD2 4.31Å; L781-L784 PolarHBondContact O-N 3.41Å; F782-L784 VanDerWaalsContact C-N 3.31Å; F782-L784 PolarHBondContact O-N 3.38Å; L784-Y786 VanDerWaalsContact C-N 3.27Å; L784-Y786 PolarHBondContact O-N 2.9Å; L784-R787 PolarHBondContact O-N 2.9Å; L784-N788 VanDerWaalsContact CD1-ND2 3.35Å; L784-N788 WeakPolarHBondContact CD1-ND2 3.36Å; L784-N788 WeakPolarHBondContact O-CB 3.32Å; L784-N788 PolarHBondContact O-N 3.39Å; L784-I848 HydrophobicContact CD2-CG2 4.04Å; L784-V849 HydrophobicContact CD2-CB 4.41Å; L784-V849 HydrophobicContact CD2-CG2 4.1Å |
| 785 | V | 83.1 | Confident | 78.6 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 179 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L774 L781 F782 G789 F796 | L774-V785 HydrophobicContact CD2-CG2 4.39Å; L781-V785 HydrophobicContact CD1-CG2 4.13Å; L781-V785 HydrophobicContact CG-CG2 4.45Å; L781-V785 VanDerWaalsContact O-CG2 3.32Å; L781-V785 WeakPolarHBondContact O-CG2 3.38Å; L781-V785 PolarHBondContact O-N 2.81Å; F782-V785 PolarHBondContact O-N 3.15Å; V785-G789 VanDerWaalsContact O-CA 3.23Å; V785-G789 WeakPolarHBondContact O-CA 3.47Å; V785-G789 PolarHBondContact O-N 3.08Å; V785-F796 HydrophobicContact CG1-CE1 4.33Å |
| 786 | Y | 81.7 | Confident | 78.9 | Confident | 120 Ų | 120 | 66 Ų | 66 | 47% | 0.471 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 177.1 | -172.6 | -92.6 | 0 | 0 | 0 | 112.2 | F782 L784 | F782-Y786 VanDerWaalsContact O-CB 3.27Å; F782-Y786 WeakPolarHBondContact O-CB 3.5Å; F782-Y786 PolarHBondContact O-N 2.86Å; L784-Y786 VanDerWaalsContact C-N 3.27Å; L784-Y786 PolarHBondContact O-N 2.9Å |
| 787 | R | 79.2 | Confident | 79.6 | Confident | 200 Ų | 200 | 65 Ų | 65 | 76% | 0.755 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -71 | -38.9 | -179.6 | -174.5 | 176.6 | -174.1 | 153.9 | 4.5 | 113 | D783 L784 | D783-R787 VanDerWaalsContact O-CB 3.22Å; D783-R787 WeakPolarHBondContact O-CB 3.15Å; D783-R787 PolarHBondContact O-N 3.08Å; L784-R787 PolarHBondContact O-N 2.9Å |
| 788 | N | 75.7 | Confident | 80.2 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -99 | -0.1 | -173.6 | -65.5 | 0.7 | 0 | 0 | 0 | 113.4 | L784 S852 M853 E854 | L784-N788 VanDerWaalsContact CD1-ND2 3.35Å; L784-N788 WeakPolarHBondContact CD1-ND2 3.36Å; L784-N788 WeakPolarHBondContact O-CB 3.32Å; L784-N788 PolarHBondContact O-N 3.39Å; N788-S852 PolarHBondContact ND2-O 3.48Å; N788-M853 PolarHBondContact ND2-O 2.8Å; N788-E854 HydrophobicContact CB-CG 4.35Å |
| 789 | G | 65.2 | Low | 80.5 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -109.5 | 6.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | V785 Y791 T792 | V785-G789 VanDerWaalsContact O-CA 3.23Å; V785-G789 WeakPolarHBondContact O-CA 3.47Å; V785-G789 PolarHBondContact O-N 3.08Å; G789-Y791 PolarHBondContact O-N 3.5Å; G789-T792 VanDerWaalsContact O-CB 3.28Å; G789-T792 WeakPolarHBondContact O-CB 3.22Å; G789-T792 WeakPolarHBondContact O-CG2 3.27Å; G789-T792 PolarHBondContact O-N 3.37Å; G789-T792 PolarHBondContact O-OG1 3.21Å |
| 790 | D | 54.4 | Low | 81.2 | Confident | 142 Ų | 142 | 64.2 Ų | 64.2 | 76% | 0.759 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42 | 45.8 | 179 | -76.6 | -14.8 | 0 | 0 | 0 | 114.5 | T792 | D790-T792 PolarHBondContact O-N 2.93Å; D790-T792 VanDerWaalsContact O-N 3.14Å |
| 791 | Y | 59.1 | Low | 81.6 | Confident | 168 Ų | 168 | 59 Ų | 59 | 66% | 0.659 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 19.6 | -179.1 | -50.7 | -87.7 | 0 | 0 | 0 | 115.4 | G789 H793 | G789-Y791 PolarHBondContact O-N 3.5Å; Y791-H793 PolarHBondContact O-CD2 3.28Å; Y791-H793 PolarHBondContact O-N 3.47Å |
| 792 | T | 64.6 | Low | 81.9 | Confident | 43 Ų | 43 | 60 Ų | 60 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | trans | -70.1 | -8 | 176.5 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | G789 D790 C794 F795 F855 | G789-T792 VanDerWaalsContact O-CB 3.28Å; G789-T792 WeakPolarHBondContact O-CB 3.22Å; G789-T792 WeakPolarHBondContact O-CG2 3.27Å; G789-T792 PolarHBondContact O-N 3.37Å; G789-T792 PolarHBondContact O-OG1 3.21Å; D790-T792 PolarHBondContact O-N 2.93Å; D790-T792 VanDerWaalsContact O-N 3.14Å; T792-C794 VanDerWaalsContact C-N 3.31Å; T792-C794 PolarHBondContact O-N 3.12Å; T792-C794 VanDerWaalsContact O-N 3.12Å; T792-F795 WeakPolarHBondContact O-CB 3.46Å; T792-F795 PolarHBondContact O-N 3.05Å; T792-F855 HydrophobicContact CG2-CD1 4.18Å; T792-F855 HydrophobicContact CG2-CD2 4.15Å; T792-F855 HydrophobicContact CG2-CE1 4.03Å; T792-F855 HydrophobicContact CG2-CE2 3.99Å; T792-F855 HydrophobicContact CG2-CG 4.24Å; T792-F855 HydrophobicContact CG2-CZ 3.94Å; T792-F855 WeakPolarHBondContact OG1-CD2 3.24Å; T792-F855 VanDerWaalsContact OG1-CE2 3.22Å; T792-F855 WeakPolarHBondContact OG1-CE2 3.4Å | ||
| 793 | H | 74.8 | Confident | 82.4 | Confident | 102 Ų | 102 | 59.1 Ų | 59.1 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 47 | 170.4 | -66.5 | -62.9 | 0 | 0 | 0 | 114.3 | V771 Y791 | V771-H793 HydrophobicContact CG2-CB 4.04Å; V771-H793 VanDerWaalsContact CG2-O 3.24Å; V771-H793 WeakPolarHBondContact CG2-O 3.29Å; Y791-H793 PolarHBondContact O-CD2 3.28Å; Y791-H793 PolarHBondContact O-N 3.47Å |
| 794 | C | 86.1 | Confident | 82.9 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 27.5 | -177.4 | -55.8 | 0 | 0 | 0 | 0 | 115.5 | V770 V771 T792 F796 C797 | V770-C794 HydrophobicContact CG1-CB 4.13Å; V771-C794 HydrophobicContact CG2-CB 4.14Å; T792-C794 VanDerWaalsContact C-N 3.31Å; T792-C794 PolarHBondContact O-N 3.12Å; T792-C794 VanDerWaalsContact O-N 3.12Å; C794-F796 HydrophobicContact CB-CE1 4.12Å; C794-F796 HydrophobicContact CB-CZ 4.21Å; C794-F796 PolarHBondContact O-N 2.86Å; C794-C797 VanDerWaalsContact O-CB 3.32Å; C794-C797 WeakPolarHBondContact O-CB 3.29Å; C794-C797 PolarHBondContact O-N 3.32Å |
| 795 | F | 88.9 | Confident | 83.6 | Confident | 101 Ų | 101 | 54.4 Ų | 54.4 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -57.8 | -17.5 | 178 | -166.8 | -98.3 | 0 | 0 | 0 | 114.5 | L767 T792 C797 Y798 F855 | L767-F795 HydrophobicContact CD1-CD2 4.14Å; T792-F795 WeakPolarHBondContact O-CB 3.46Å; T792-F795 PolarHBondContact O-N 3.05Å; F795-C797 PolarHBondContact O-N 3.17Å; F795-C797 VanDerWaalsContact O-N 3.13Å; F795-Y798 HydrophobicContact CD2-CD2 4.09Å; F795-Y798 HydrophobicContact CD2-CG 4.49Å; F795-Y798 HydrophobicContact CE1-CG 4.46Å; F795-Y798 AromaticContact CE2-CD2 3.42Å; F795-Y798 HydrophobicContact CE2-CD2 3.42Å; F795-Y798 VanDerWaalsContact CE2-CD2 3.42Å; F795-Y798 HydrophobicContact CE2-CE2 4.02Å; F795-Y798 AromaticContact CE2-CG 3.93Å; F795-Y798 HydrophobicContact CE2-CG 3.93Å; F795-Y798 HydrophobicContact CZ-CD1 4.48Å; F795-Y798 AromaticContact CZ-CD2 3.8Å; F795-Y798 HydrophobicContact CZ-CD2 3.8Å; F795-Y798 HydrophobicContact CZ-CE2 4.3Å; F795-Y798 AromaticContact CZ-CG 3.9Å; F795-Y798 HydrophobicContact CZ-CG 3.9Å; F795-Y798 WeakPolarHBondContact O-CB 3.4Å; F795-Y798 PolarHBondContact O-N 3.2Å; F795-F855 HydrophobicContact CB-CE2 4.04Å; F795-F855 HydrophobicContact CB-CZ 3.89Å; F795-F855 HydrophobicContact CD1-CZ 4.26Å |
| 796 | F | 90.7 | Very high | 84.1 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -60.2 | -20.6 | 170.9 | 62.5 | -101.2 | 0 | 0 | 0 | 112.7 | V785 C794 Y798 W800 I841 F855 I858 I859 | V785-F796 HydrophobicContact CG1-CE1 4.33Å; C794-F796 HydrophobicContact CB-CE1 4.12Å; C794-F796 HydrophobicContact CB-CZ 4.21Å; C794-F796 PolarHBondContact O-N 2.86Å; F796-Y798 VanDerWaalsContact C-N 3.33Å; F796-W800 HydrophobicContact CD2-CH2 4.23Å; F796-W800 HydrophobicContact CD2-CZ2 4.38Å; F796-W800 HydrophobicContact CE2-CH2 4.11Å; F796-I841 HydrophobicContact CE2-CD1 4.06Å; F796-I841 HydrophobicContact CE2-CG1 4.1Å; F796-I841 HydrophobicContact CZ-CD1 4.19Å; F796-I841 HydrophobicContact CZ-CG1 4.47Å; F796-F855 HydrophobicContact CB-CE2 3.95Å; F796-F855 HydrophobicContact CB-CZ 4.41Å; F796-F855 AromaticContact CD1-CD2 3.94Å; F796-F855 HydrophobicContact CD1-CD2 3.94Å; F796-F855 AromaticContact CD1-CE2 3.87Å; F796-F855 HydrophobicContact CD1-CE2 3.87Å; F796-F855 HydrophobicContact CG-CE2 4.41Å; F796-I858 HydrophobicContact CB-CG2 4.29Å; F796-I858 HydrophobicContact CD1-CG2 3.95Å; F796-I858 HydrophobicContact CD2-CG2 3.76Å; F796-I858 HydrophobicContact CE1-CD1 4.29Å; F796-I858 HydrophobicContact CE1-CG2 4.2Å; F796-I858 HydrophobicContact CE2-CG2 4.02Å; F796-I858 HydrophobicContact CG-CG2 3.74Å; F796-I858 HydrophobicContact CZ-CG2 4.24Å; F796-I859 HydrophobicContact CB-CD1 4.26Å; F796-I859 HydrophobicContact CB-CG1 3.55Å |
| 797 | C | 93 | Very high | 84.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -79.4 | -8.6 | 173.2 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | L767 C794 F795 R799 W800 F801 | L767-C797 HydrophobicContact CD2-CB 4.07Å; C794-C797 VanDerWaalsContact O-CB 3.32Å; C794-C797 WeakPolarHBondContact O-CB 3.29Å; C794-C797 PolarHBondContact O-N 3.32Å; F795-C797 PolarHBondContact O-N 3.17Å; F795-C797 VanDerWaalsContact O-N 3.13Å; C797-R799 VanDerWaalsContact C-N 3.34Å; C797-R799 PolarHBondContact O-N 2.87Å; C797-W800 HydrophobicContact CB-CD2 4.32Å; C797-W800 HydrophobicContact CB-CE3 3.88Å; C797-W800 HydrophobicContact CB-CZ3 4.34Å; C797-W800 VanDerWaalsContact O-CB 3.24Å; C797-W800 WeakPolarHBondContact O-CB 3.48Å; C797-W800 PolarHBondContact O-N 3.18Å; C797-W800 WeakPolarHBondContact SG-CZ3 3.44Å; C797-F801 HydrophobicContact CB-CD2 4.22Å; C797-F801 HydrophobicContact CB-CE2 3.77Å; C797-F801 WeakPolarHBondContact O-CD2 3.5Å; C797-F801 PolarHBondContact O-N 3.5Å |
| 798 | Y | 92.5 | Very high | 85.5 | Confident | 50 Ų | 50 | 44 Ų | 44 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.4 | -47.3 | -172.5 | -176.9 | -85.5 | 0 | 0 | 0 | 112.3 | P757 M763 L767 F795 F796 W800 F801 L802 | P757-Y798 WeakPolarHBondContact CG-OH 3.45Å; M763-Y798 HydrophobicContact CE-CD2 3.99Å; M763-Y798 HydrophobicContact CE-CE1 4.4Å; M763-Y798 HydrophobicContact CE-CE2 3.83Å; M763-Y798 HydrophobicContact CE-CG 4.34Å; M763-Y798 HydrophobicContact CG-CD2 3.74Å; M763-Y798 HydrophobicContact CG-CE2 3.49Å; M763-Y798 VanDerWaalsContact CG-CE2 3.49Å; M763-Y798 HydrophobicContact SD-CD2 3.72Å; M763-Y798 HydrophobicContact SD-CE2 3.94Å; M763-Y798 HydrophobicContact SD-CG 4.35Å; L767-Y798 HydrophobicContact CD1-CD2 4.47Å; F795-Y798 HydrophobicContact CD2-CD2 4.09Å; F795-Y798 HydrophobicContact CD2-CG 4.49Å; F795-Y798 HydrophobicContact CE1-CG 4.46Å; F795-Y798 AromaticContact CE2-CD2 3.42Å; F795-Y798 HydrophobicContact CE2-CD2 3.42Å; F795-Y798 VanDerWaalsContact CE2-CD2 3.42Å; F795-Y798 HydrophobicContact CE2-CE2 4.02Å; F795-Y798 AromaticContact CE2-CG 3.93Å; F795-Y798 HydrophobicContact CE2-CG 3.93Å; F795-Y798 HydrophobicContact CZ-CD1 4.48Å; F795-Y798 AromaticContact CZ-CD2 3.8Å; F795-Y798 HydrophobicContact CZ-CD2 3.8Å; F795-Y798 HydrophobicContact CZ-CE2 4.3Å; F795-Y798 AromaticContact CZ-CG 3.9Å; F795-Y798 HydrophobicContact CZ-CG 3.9Å; F795-Y798 WeakPolarHBondContact O-CB 3.4Å; F795-Y798 PolarHBondContact O-N 3.2Å; F796-Y798 VanDerWaalsContact C-N 3.33Å; Y798-W800 PolarHBondContact O-N 3.33Å; Y798-F801 PolarHBondContact O-N 2.87Å; Y798-L802 HydrophobicContact CE1-CB 4.49Å; Y798-L802 HydrophobicContact CE1-CD2 4.07Å; Y798-L802 WeakPolarHBondContact O-CB 3.23Å; Y798-L802 PolarHBondContact O-N 3.22Å |
| 799 | R | 93.1 | Very high | 86.5 | Confident | 97 Ų | 97 | 43.1 Ų | 43.1 | 37% | 0.366 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61 | -34.2 | 178.2 | -175.9 | 172.8 | 75.5 | 177 | 1.8 | 112.3 | C797 L802 L803 R807 E808 | C797-R799 VanDerWaalsContact C-N 3.34Å; C797-R799 PolarHBondContact O-N 2.87Å; R799-L802 PolarHBondContact O-N 3.23Å; R799-L803 HydrophobicContact CG-CD1 4.06Å; R799-L803 PolarHBondContact O-N 2.86Å; R799-R807 HydrophobicContact CG-CB 4.42Å; R799-E808 IonicContact CZ-OE1 3.35Å; R799-E808 IonicContact NE-OE1 3.56Å; R799-E808 PolarHBondContact NE-OE1 3.33Å; R799-E808 IonicContact NH2-OE1 2.82Å; R799-E808 PolarHBondContact NH2-OE1 3.42Å; R799-E808 IonicContact NH2-OE2 3.52Å; R799-E808 PolarHBondContact NH2-OE2 3.11Å |
| 800 | W | 96.2 | Very high | 88 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.2 | -46.7 | -178.5 | -56 | -9.3 | 0 | 0 | 0 | 111 | F796 C797 Y798 D804 F805 E808 A837 L840 I841 Y862 | F796-W800 HydrophobicContact CD2-CH2 4.23Å; F796-W800 HydrophobicContact CD2-CZ2 4.38Å; F796-W800 HydrophobicContact CE2-CH2 4.11Å; C797-W800 HydrophobicContact CB-CD2 4.32Å; C797-W800 HydrophobicContact CB-CE3 3.88Å; C797-W800 HydrophobicContact CB-CZ3 4.34Å; C797-W800 VanDerWaalsContact O-CB 3.24Å; C797-W800 WeakPolarHBondContact O-CB 3.48Å; C797-W800 PolarHBondContact O-N 3.18Å; C797-W800 WeakPolarHBondContact SG-CZ3 3.44Å; Y798-W800 PolarHBondContact O-N 3.33Å; W800-D804 CarbonylContact O-C 3.51Å; W800-D804 VanDerWaalsContact O-CA 3.23Å; W800-D804 WeakPolarHBondContact O-CA 3.3Å; W800-D804 PolarHBondContact O-N 3.15Å; W800-F805 HydrophobicContact CB-CD1 3.64Å; W800-F805 HydrophobicContact CB-CE1 3.54Å; W800-F805 HydrophobicContact CB-CG 4.34Å; W800-F805 HydrophobicContact CB-CZ 4.13Å; W800-F805 HydrophobicContact CD2-CD1 4.36Å; W800-F805 HydrophobicContact CD2-CE1 4.12Å; W800-F805 AromaticContact CE3-CE1 3.9Å; W800-F805 HydrophobicContact CE3-CE1 3.9Å; W800-F805 HydrophobicContact CG-CD1 4.01Å; W800-F805 HydrophobicContact CG-CE1 4.03Å; W800-F805 PolarHBondContact O-N 2.92Å; W800-E808 VanDerWaalsContact CD1-CG 3.41Å; W800-E808 HydrophobicContact CG-CG 4.29Å; W800-E808 VanDerWaalsContact NE1-CD 3.29Å; W800-E808 PolarHBondContact NE1-OE1 2.81Å; W800-E808 VanDerWaalsContact NE1-OE1 3.1Å; W800-A837 HydrophobicContact CE3-CB 3.88Å; W800-A837 HydrophobicContact CZ3-CB 4.2Å; W800-L840 HydrophobicContact CD2-CD2 4.15Å; W800-L840 HydrophobicContact CE3-CD2 4.17Å; W800-L840 HydrophobicContact CH2-CB 4.43Å; W800-L840 HydrophobicContact CH2-CD2 3.77Å; W800-L840 HydrophobicContact CH2-CG 4.04Å; W800-L840 HydrophobicContact CZ2-CD2 3.75Å; W800-L840 HydrophobicContact CZ2-CG 4.39Å; W800-L840 HydrophobicContact CZ3-CB 4.31Å; W800-L840 HydrophobicContact CZ3-CD2 3.98Å; W800-L840 HydrophobicContact CZ3-CG 4.35Å; W800-I841 HydrophobicContact CH2-CG1 4.03Å; W800-I841 HydrophobicContact CZ3-CD1 4.33Å; W800-I841 HydrophobicContact CZ3-CG1 3.93Å; W800-Y862 HydrophobicContact CH2-CD1 4.26Å; W800-Y862 HydrophobicContact CH2-CD2 4.25Å; W800-Y862 HydrophobicContact CH2-CE1 4.01Å; W800-Y862 AromaticContact CH2-CE2 4Å; W800-Y862 HydrophobicContact CH2-CE2 4Å; W800-Y862 HydrophobicContact CH2-CG 4.4Å; W800-Y862 AromaticContact CH2-CZ 3.88Å; W800-Y862 AromaticContact CZ2-CD1 3.68Å; W800-Y862 HydrophobicContact CZ2-CD1 3.68Å; W800-Y862 AromaticContact CZ2-CD2 3.8Å; W800-Y862 HydrophobicContact CZ2-CD2 3.8Å; W800-Y862 AromaticContact CZ2-CE1 3.92Å; W800-Y862 HydrophobicContact CZ2-CE1 3.92Å; W800-Y862 HydrophobicContact CZ2-CE2 4.02Å; W800-Y862 AromaticContact CZ2-CG 3.65Å; W800-Y862 HydrophobicContact CZ2-CG 3.65Å |
| 801 | F | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.9 | -38.5 | 176.8 | -63.6 | -57.9 | 0 | 0 | 0 | 112.2 | M752 L755 M763 C766 L767 V770 C797 Y798 L803 V834 A837 | M752-F801 VanDerWaalsContact CE-O 3.22Å; M752-F801 WeakPolarHBondContact CE-O 3.48Å; L755-F801 WeakPolarHBondContact CD1-O 3.4Å; M763-F801 HydrophobicContact CE-CB 3.97Å; M763-F801 HydrophobicContact SD-CB 3.92Å; M763-F801 HydrophobicContact SD-CD2 4.35Å; C766-F801 HydrophobicContact CB-CD1 4.18Å; C766-F801 HydrophobicContact CB-CD2 4.01Å; C766-F801 HydrophobicContact CB-CE1 4.27Å; C766-F801 HydrophobicContact CB-CE2 4.09Å; C766-F801 HydrophobicContact CB-CG 4.06Å; C766-F801 HydrophobicContact CB-CZ 4.22Å; L767-F801 HydrophobicContact CD2-CD2 4.21Å; L767-F801 HydrophobicContact CD2-CE2 4.15Å; V770-F801 HydrophobicContact CG2-CE2 3.9Å; V770-F801 HydrophobicContact CG2-CZ 3.53Å; C797-F801 HydrophobicContact CB-CD2 4.22Å; C797-F801 HydrophobicContact CB-CE2 3.77Å; C797-F801 WeakPolarHBondContact O-CD2 3.5Å; C797-F801 PolarHBondContact O-N 3.5Å; Y798-F801 PolarHBondContact O-N 2.87Å; F801-L803 PolarHBondContact O-N 3.1Å; F801-V834 HydrophobicContact CE1-CG2 4.23Å; F801-V834 HydrophobicContact CZ-CG2 4.4Å; F801-A837 HydrophobicContact CE1-CB 3.98Å; F801-A837 HydrophobicContact CE2-CB 4.44Å; F801-A837 HydrophobicContact CZ-CB 3.59Å |
| 802 | L | 93.1 | Very high | 91.6 | Very high | 24 Ų | 24 | 37.5 Ų | 37.5 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -34.9 | -179.3 | -172.3 | 70.4 | 0 | 0 | 0 | 112.6 | M752 F756 M763 Y798 R799 | M752-L802 WeakPolarHBondContact CE-O 3.5Å; F756-L802 HydrophobicContact CD1-CD1 3.56Å; F756-L802 HydrophobicContact CE1-CD1 3.99Å; M763-L802 HydrophobicContact CE-CB 4.2Å; M763-L802 HydrophobicContact CE-CD1 4.46Å; Y798-L802 HydrophobicContact CE1-CB 4.49Å; Y798-L802 HydrophobicContact CE1-CD2 4.07Å; Y798-L802 WeakPolarHBondContact O-CB 3.23Å; Y798-L802 PolarHBondContact O-N 3.22Å; R799-L802 PolarHBondContact O-N 3.23Å |
| 803 | L | 95.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 14.4 | -171 | -57.7 | 177.7 | 0 | 0 | 0 | 113.4 | D709 R799 F801 F805 K806 R807 | D709-L803 HydrophobicContact CB-CD2 4.1Å; R799-L803 HydrophobicContact CG-CD1 4.06Å; R799-L803 PolarHBondContact O-N 2.86Å; F801-L803 PolarHBondContact O-N 3.1Å; L803-F805 PolarHBondContact O-N 2.63Å; L803-K806 WeakPolarHBondContact O-CB 3.41Å; L803-K806 PolarHBondContact O-N 3.46Å; L803-R807 HydrophobicContact CD1-CB 4.28Å; L803-R807 HydrophobicContact CD1-CG 3.33Å |
| 804 | D | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 39.8 | 54.1 | -171.1 | -92.3 | -8 | 0 | 0 | 0 | 112 | R751 M752 W800 K806 W818 | R751-D804 IonicContact CZ-OD2 3.5Å; R751-D804 VanDerWaalsContact CZ-OD2 3.25Å; R751-D804 IonicContact NH1-OD2 3.42Å; R751-D804 PolarHBondContact NH1-OD2 3.41Å; R751-D804 IonicContact NH2-OD2 2.84Å; R751-D804 PolarHBondContact NH2-OD2 3.33Å; M752-D804 HydrophobicContact CE-CB 4.08Å; W800-D804 CarbonylContact O-C 3.51Å; W800-D804 VanDerWaalsContact O-CA 3.23Å; W800-D804 WeakPolarHBondContact O-CA 3.3Å; W800-D804 PolarHBondContact O-N 3.15Å; D804-K806 PolarHBondContact O-N 2.79Å; D804-W818 PolarHBondContact O-NE1 3.44Å |
| 805 | F | 97.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 0.8 | 176 | -50.9 | -94.9 | 0 | 0 | 0 | 116 | W800 L803 R807 E808 L809 V817 I821 S833 V836 A837 L840 | W800-F805 HydrophobicContact CB-CD1 3.64Å; W800-F805 HydrophobicContact CB-CE1 3.54Å; W800-F805 HydrophobicContact CB-CG 4.34Å; W800-F805 HydrophobicContact CB-CZ 4.13Å; W800-F805 HydrophobicContact CD2-CD1 4.36Å; W800-F805 HydrophobicContact CD2-CE1 4.12Å; W800-F805 AromaticContact CE3-CE1 3.9Å; W800-F805 HydrophobicContact CE3-CE1 3.9Å; W800-F805 HydrophobicContact CG-CD1 4.01Å; W800-F805 HydrophobicContact CG-CE1 4.03Å; W800-F805 PolarHBondContact O-N 2.92Å; L803-F805 PolarHBondContact O-N 2.63Å; F805-R807 PolarHBondContact O-N 2.84Å; F805-E808 PolarHBondContact O-N 3.46Å; F805-L809 HydrophobicContact CB-CD1 3.64Å; F805-L809 HydrophobicContact CB-CG 4.05Å; F805-L809 WeakPolarHBondContact O-CG 3.47Å; F805-L809 PolarHBondContact O-N 3.33Å; F805-V817 HydrophobicContact CD2-CG1 4.15Å; F805-I821 HydrophobicContact CD2-CD1 4.27Å; F805-I821 HydrophobicContact CE2-CD1 4.19Å; F805-S833 WeakPolarHBondContact CZ-O 3.49Å; F805-V836 HydrophobicContact CD1-CG1 4.31Å; F805-V836 HydrophobicContact CD2-CG1 4.13Å; F805-V836 HydrophobicContact CE1-CB 4.48Å; F805-V836 HydrophobicContact CE1-CG1 4Å; F805-V836 HydrophobicContact CE2-CB 3.98Å; F805-V836 HydrophobicContact CE2-CG1 3.85Å; F805-V836 HydrophobicContact CG-CG1 4.39Å; F805-V836 HydrophobicContact CZ-CB 3.87Å; F805-V836 HydrophobicContact CZ-CG1 3.79Å; F805-A837 HydrophobicContact CE1-CB 4.05Å; F805-A837 HydrophobicContact CZ-CB 3.89Å; F805-L840 HydrophobicContact CD1-CD2 4.36Å |
| 806 | K | 95.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 5% | 0.048 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -29.5 | -175.4 | -178.8 | -107.9 | 173.3 | 71.2 | 0 | 113.9 | D673 D709 P713 L803 D804 Y811 T814 W818 | D673-K806 VanDerWaalsContact OD2-CE 3.26Å; D673-K806 WeakPolarHBondContact OD2-CE 3.45Å; D673-K806 IonicContact OD2-NZ 2.73Å; D673-K806 PolarHBondContact OD2-NZ 3.19Å; D709-K806 HydrophobicContact CB-CD 3.81Å; D709-K806 VanDerWaalsContact O-CD 3.24Å; D709-K806 WeakPolarHBondContact O-CD 3.24Å; D709-K806 WeakPolarHBondContact O-CE 3.41Å; D709-K806 PolarHBondContact O-NZ 2.99Å; P713-K806 HydrophobicContact CG-CG 3.98Å; L803-K806 WeakPolarHBondContact O-CB 3.41Å; L803-K806 PolarHBondContact O-N 3.46Å; D804-K806 PolarHBondContact O-N 2.79Å; K806-Y811 PolarHBondContact NZ-OH 2.96Å; K806-T814 HydrophobicContact CB-CG2 4.05Å; K806-T814 HydrophobicContact CG-CG2 4.12Å; K806-W818 HydrophobicContact CB-CZ2 4.38Å |
| 807 | R | 93.8 | Very high | 95.5 | Very high | 104 Ų | 104 | 29 Ų | 29 | 39% | 0.392 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -16.7 | 176 | -72.3 | -67.6 | -171.2 | 177.3 | 1 | 114.6 | D709 R799 L803 F805 | D709-R807 IonicContact OD1-CZ 2.68Å; D709-R807 VanDerWaalsContact OD1-CZ 3.23Å; D709-R807 IonicContact OD1-NE 3.51Å; D709-R807 IonicContact OD1-NH1 3.82Å; D709-R807 IonicContact OD1-NH2 3.73Å; D709-R807 PolarHBondContact OD1-NH2 3.12Å; D709-R807 IonicContact OD2-CZ 2.71Å; D709-R807 IonicContact OD2-NE 3.87Å; D709-R807 PolarHBondContact OD2-NE 3.4Å; D709-R807 IonicContact OD2-NH2 2.77Å; D709-R807 PolarHBondContact OD2-NH2 3.03Å; R799-R807 HydrophobicContact CG-CB 4.42Å; L803-R807 HydrophobicContact CD1-CB 4.28Å; L803-R807 HydrophobicContact CD1-CG 3.33Å; F805-R807 PolarHBondContact O-N 2.84Å |
| 808 | E | 95.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -15.1 | 177.7 | -46.8 | -52 | 152 | 0 | 0 | 112.1 | R799 W800 F805 G867 H869 | R799-E808 IonicContact CZ-OE1 3.35Å; R799-E808 IonicContact NE-OE1 3.56Å; R799-E808 PolarHBondContact NE-OE1 3.33Å; R799-E808 IonicContact NH2-OE1 2.82Å; R799-E808 PolarHBondContact NH2-OE1 3.42Å; R799-E808 IonicContact NH2-OE2 3.52Å; R799-E808 PolarHBondContact NH2-OE2 3.11Å; W800-E808 VanDerWaalsContact CD1-CG 3.41Å; W800-E808 HydrophobicContact CG-CG 4.29Å; W800-E808 VanDerWaalsContact NE1-CD 3.29Å; W800-E808 PolarHBondContact NE1-OE1 2.81Å; W800-E808 VanDerWaalsContact NE1-OE1 3.1Å; F805-E808 PolarHBondContact O-N 3.46Å; E808-G867 PolarHBondContact O-N 2.99Å; E808-H869 PolarHBondContact O-CD2 2.72Å |
| 809 | L | 97.2 | Very high | 95.9 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 12% | 0.12 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -120.9 | 157.1 | -164.8 | -58.9 | -177.4 | 0 | 0 | 0 | 112.1 | F805 D813 T814 V817 H869 V871 | F805-L809 HydrophobicContact CB-CD1 3.64Å; F805-L809 HydrophobicContact CB-CG 4.05Å; F805-L809 WeakPolarHBondContact O-CG 3.47Å; F805-L809 PolarHBondContact O-N 3.33Å; L809-D813 HydrophobicContact CB-CB 4.02Å; L809-T814 WeakPolarHBondContact CB-OG1 3.37Å; L809-V817 HydrophobicContact CD1-CB 3.95Å; L809-V817 HydrophobicContact CD1-CG1 4.31Å; L809-V817 HydrophobicContact CD1-CG2 3.57Å; L809-H869 HydrophobicContact CD2-CB 4.42Å; L809-V871 HydrophobicContact CD2-CG2 3.58Å |
| 810 | T | 95.8 | Very high | 96 | Very high | 56 Ų | 56 | 22.2 Ų | 22.2 | 34% | 0.344 | 11% | 0.111 | S | C | . | . | trans | -72.8 | 170 | 166 | 71.4 | 0 | 0 | 0 | 0 | 110.4 | D813 T814 G867 | T810-D813 PolarHBondContact O-N 2.81Å; T810-D813 WeakPolarHBondContact OG1-CB 3.25Å; T810-D813 PolarHBondContact OG1-N 2.92Å; T810-D813 PolarHBondContact OG1-OD2 3.43Å; T810-T814 VanDerWaalsContact O-CB 3.27Å; T810-T814 WeakPolarHBondContact O-CB 3.48Å; T810-T814 PolarHBondContact O-N 2.78Å; T810-T814 PolarHBondContact O-OG1 3.48Å; T810-G867 WeakPolarHBondContact CG2-O 3.19Å | ||
| 811 | Y | 94.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 22.1 Ų | 22.1 | 14% | 0.137 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 177.2 | -95 | -104.5 | 0 | 0 | 0 | 112.1 | D673 H676 F679 P713 V716 K806 D813 T814 F815 | D673-Y811 PolarHBondContact OD2-OH 3.37Å; H676-Y811 AromaticContact CD2-CD2 3.78Å; H676-Y811 AromaticContact CD2-CE2 3.86Å; F679-Y811 WeakPolarHBondContact CE2-OH 3.37Å; P713-Y811 HydrophobicContact CB-CE1 4.19Å; P713-Y811 HydrophobicContact CG-CE1 4.29Å; V716-Y811 HydrophobicContact CB-CD1 4.34Å; V716-Y811 HydrophobicContact CB-CE1 3.96Å; V716-Y811 HydrophobicContact CG1-CD1 4.18Å; V716-Y811 HydrophobicContact CG1-CE1 4.24Å; V716-Y811 HydrophobicContact CG2-CD1 4.37Å; V716-Y811 HydrophobicContact CG2-CE1 3.63Å; K806-Y811 PolarHBondContact NZ-OH 2.96Å; Y811-D813 VanDerWaalsContact C-N 3.3Å; Y811-D813 PolarHBondContact O-N 3.23Å; Y811-T814 WeakPolarHBondContact O-CB 3.42Å; Y811-T814 PolarHBondContact O-N 3.34Å; Y811-F815 AromaticContact CD1-CE1 3.9Å; Y811-F815 HydrophobicContact CD1-CE1 3.9Å; Y811-F815 AromaticContact CD1-CZ 3.63Å; Y811-F815 HydrophobicContact CD1-CZ 3.63Å; Y811-F815 HydrophobicContact CG-CZ 4.39Å; Y811-F815 VanDerWaalsContact O-CD1 3.23Å; Y811-F815 WeakPolarHBondContact O-CD1 3.49Å; Y811-F815 WeakPolarHBondContact O-CD2 3.17Å; Y811-F815 WeakPolarHBondContact O-CG 3.44Å; Y811-F815 PolarHBondContact O-N 3.31Å |
| 812 | E | 94.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 22.4 Ų | 22.4 | 49% | 0.486 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -59.5 | -40.7 | 177.8 | -76 | -59.3 | 150.8 | 0 | 0 | 112.8 | R489 F815 A816 | R489-E812 IonicContact CZ-OE2 3.75Å; R489-E812 IonicContact NH1-OE1 3.99Å; R489-E812 IonicContact NH1-OE2 3.1Å; R489-E812 IonicContact NH2-OE2 2.79Å; R489-E812 PolarHBondContact NH2-OE2 3.38Å; R489-E812 VanDerWaalsContact NH2-OE2 3.08Å; E812-F815 WeakPolarHBondContact O-CB 3.48Å; E812-F815 PolarHBondContact O-N 2.89Å; E812-A816 PolarHBondContact O-N 3.03Å; E812-A816 VanDerWaalsContact O-N 3.14Å |
| 813 | D | 97.4 | Very high | 96.2 | Very high | 45 Ų | 45 | 21.3 Ų | 21.3 | 24% | 0.241 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.2 | -39.9 | 176.7 | -72.6 | -37.2 | 0 | 0 | 0 | 112.5 | L809 T810 Y811 F815 A816 V817 V871 | L809-D813 HydrophobicContact CB-CB 4.02Å; T810-D813 PolarHBondContact O-N 2.81Å; T810-D813 WeakPolarHBondContact OG1-CB 3.25Å; T810-D813 PolarHBondContact OG1-N 2.92Å; T810-D813 PolarHBondContact OG1-OD2 3.43Å; Y811-D813 VanDerWaalsContact C-N 3.3Å; Y811-D813 PolarHBondContact O-N 3.23Å; D813-F815 VanDerWaalsContact C-N 3.28Å; D813-F815 PolarHBondContact O-N 3.02Å; D813-A816 PolarHBondContact O-N 3.01Å; D813-V817 WeakPolarHBondContact O-CG2 3.14Å; D813-V817 PolarHBondContact O-N 3.34Å; D813-V871 HydrophobicContact CB-CB 4.24Å; D813-V871 HydrophobicContact CB-CG1 4.41Å; D813-V871 HydrophobicContact CB-CG2 3.62Å |
| 814 | T | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 174.7 | -61.3 | 0 | 0 | 0 | 0 | 109.7 | K806 L809 T810 Y811 A816 V817 W818 | K806-T814 HydrophobicContact CB-CG2 4.05Å; K806-T814 HydrophobicContact CG-CG2 4.12Å; L809-T814 WeakPolarHBondContact CB-OG1 3.37Å; T810-T814 VanDerWaalsContact O-CB 3.27Å; T810-T814 WeakPolarHBondContact O-CB 3.48Å; T810-T814 PolarHBondContact O-N 2.78Å; T810-T814 PolarHBondContact O-OG1 3.48Å; Y811-T814 WeakPolarHBondContact O-CB 3.42Å; Y811-T814 PolarHBondContact O-N 3.34Å; T814-A816 PolarHBondContact O-N 3.29Å; T814-V817 PolarHBondContact O-N 2.94Å; T814-W818 HydrophobicContact CG2-CD2 3.88Å; T814-W818 HydrophobicContact CG2-CE3 4.5Å; T814-W818 HydrophobicContact CG2-CG 4.18Å; T814-W818 HydrophobicContact CG2-CZ2 3.95Å; T814-W818 WeakPolarHBondContact O-CB 3.47Å; T814-W818 VanDerWaalsContact O-CG 3.28Å; T814-W818 PolarHBondContact O-N 2.95Å |
| 815 | F | 96.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 22.7 Ų | 22.7 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 177.5 | -55.7 | -26.2 | 0 | 0 | 0 | 111.7 | R489 W493 P713 V716 T717 Y811 E812 D813 V817 W818 E819 | R489-F815 VanDerWaalsContact CZ-CD2 3.49Å; W493-F815 HydrophobicContact CH2-CB 4.49Å; W493-F815 AromaticContact CH2-CD1 3.44Å; W493-F815 HydrophobicContact CH2-CD1 3.44Å; W493-F815 VanDerWaalsContact CH2-CD1 3.44Å; W493-F815 AromaticContact CH2-CE1 3.84Å; W493-F815 HydrophobicContact CH2-CE1 3.84Å; W493-F815 HydrophobicContact CH2-CG 4.17Å; W493-F815 HydrophobicContact CZ2-CB 4.01Å; W493-F815 AromaticContact CZ2-CD1 3.84Å; W493-F815 HydrophobicContact CZ2-CD1 3.84Å; W493-F815 HydrophobicContact CZ2-CG 4.12Å; P713-F815 HydrophobicContact CB-CE1 3.92Å; V716-F815 HydrophobicContact CG1-CZ 4.33Å; T717-F815 WeakPolarHBondContact OG1-CE1 3.22Å; Y811-F815 AromaticContact CD1-CE1 3.9Å; Y811-F815 HydrophobicContact CD1-CE1 3.9Å; Y811-F815 AromaticContact CD1-CZ 3.63Å; Y811-F815 HydrophobicContact CD1-CZ 3.63Å; Y811-F815 HydrophobicContact CG-CZ 4.39Å; Y811-F815 VanDerWaalsContact O-CD1 3.23Å; Y811-F815 WeakPolarHBondContact O-CD1 3.49Å; Y811-F815 WeakPolarHBondContact O-CD2 3.17Å; Y811-F815 WeakPolarHBondContact O-CG 3.44Å; Y811-F815 PolarHBondContact O-N 3.31Å; E812-F815 WeakPolarHBondContact O-CB 3.48Å; E812-F815 PolarHBondContact O-N 2.89Å; D813-F815 VanDerWaalsContact C-N 3.28Å; D813-F815 PolarHBondContact O-N 3.02Å; F815-V817 PolarHBondContact O-N 2.99Å; F815-W818 PolarHBondContact O-N 2.86Å; F815-E819 WeakPolarHBondContact O-CB 3.42Å; F815-E819 VanDerWaalsContact O-CG 3.23Å; F815-E819 WeakPolarHBondContact O-CG 3.31Å; F815-E819 PolarHBondContact O-N 3.19Å |
| 816 | A | 96.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 25.3 Ų | 25.3 | 26% | 0.264 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E812 D813 T814 T820 | E812-A816 PolarHBondContact O-N 3.03Å; E812-A816 VanDerWaalsContact O-N 3.14Å; D813-A816 PolarHBondContact O-N 3.01Å; T814-A816 PolarHBondContact O-N 3.29Å; A816-T820 WeakPolarHBondContact O-CB 3.26Å; A816-T820 PolarHBondContact O-N 3.42Å; A816-T820 VanDerWaalsContact O-N 3.17Å; A816-T820 PolarHBondContact O-OG1 2.9Å |
| 817 | V | 98.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.8 | -45.6 | 177.6 | 170 | 0 | 0 | 0 | 0 | 111.2 | F805 L809 D813 T814 F815 T820 I821 V836 V871 L875 | F805-V817 HydrophobicContact CD2-CG1 4.15Å; L809-V817 HydrophobicContact CD1-CB 3.95Å; L809-V817 HydrophobicContact CD1-CG1 4.31Å; L809-V817 HydrophobicContact CD1-CG2 3.57Å; D813-V817 WeakPolarHBondContact O-CG2 3.14Å; D813-V817 PolarHBondContact O-N 3.34Å; T814-V817 PolarHBondContact O-N 2.94Å; F815-V817 PolarHBondContact O-N 2.99Å; V817-T820 PolarHBondContact O-N 3.07Å; V817-I821 HydrophobicContact CG1-CD1 3.59Å; V817-I821 HydrophobicContact CG1-CG1 4.25Å; V817-I821 VanDerWaalsContact O-CG1 3.31Å; V817-I821 WeakPolarHBondContact O-CG1 3.44Å; V817-I821 PolarHBondContact O-N 3.23Å; V817-V836 HydrophobicContact CG1-CG1 4.02Å; V817-V871 HydrophobicContact CG2-CG1 3.54Å; V817-L875 HydrophobicContact CG2-CD1 4.5Å; V817-L875 HydrophobicContact CG2-CD2 4.12Å; V817-L875 HydrophobicContact CG2-CG 4.44Å |
| 818 | W | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.3 | -47.7 | 179.2 | -76 | 13.4 | 0 | 0 | 0 | 112.2 | W493 L710 P713 L714 L748 D804 K806 T814 F815 T820 I821 W822 | W493-W818 HydrophobicContact CH2-CE3 4.19Å; W493-W818 HydrophobicContact CZ3-CE3 4.32Å; L710-W818 HydrophobicContact CD2-CZ2 4.17Å; L710-W818 WeakPolarHBondContact O-CH2 3.4Å; P713-W818 HydrophobicContact CB-CE3 4.41Å; P713-W818 HydrophobicContact CB-CH2 3.76Å; P713-W818 HydrophobicContact CB-CZ3 3.66Å; P713-W818 HydrophobicContact CG-CH2 3.63Å; P713-W818 HydrophobicContact CG-CZ2 4.23Å; P713-W818 HydrophobicContact CG-CZ3 4.09Å; L714-W818 HydrophobicContact CD2-CZ3 4.22Å; L714-W818 HydrophobicContact CG-CZ3 4.29Å; L748-W818 HydrophobicContact CD2-CH2 4.32Å; L748-W818 HydrophobicContact CD2-CZ3 4.48Å; D804-W818 PolarHBondContact O-NE1 3.44Å; K806-W818 HydrophobicContact CB-CZ2 4.38Å; T814-W818 HydrophobicContact CG2-CD2 3.88Å; T814-W818 HydrophobicContact CG2-CE3 4.5Å; T814-W818 HydrophobicContact CG2-CG 4.18Å; T814-W818 HydrophobicContact CG2-CZ2 3.95Å; T814-W818 WeakPolarHBondContact O-CB 3.47Å; T814-W818 VanDerWaalsContact O-CG 3.28Å; T814-W818 PolarHBondContact O-N 2.95Å; F815-W818 PolarHBondContact O-N 2.86Å; W818-T820 PolarHBondContact O-N 3.45Å; W818-I821 PolarHBondContact O-N 3.42Å; W818-W822 HydrophobicContact CB-CD2 4.25Å; W818-W822 HydrophobicContact CB-CE3 4.33Å; W818-W822 HydrophobicContact CB-CH2 3.89Å; W818-W822 HydrophobicContact CB-CZ2 3.74Å; W818-W822 HydrophobicContact CB-CZ3 4.15Å; W818-W822 HydrophobicContact CD2-CH2 4.07Å; W818-W822 AromaticContact CD2-CZ2 3.73Å; W818-W822 HydrophobicContact CD2-CZ2 3.73Å; W818-W822 AromaticContact CE3-CH2 3.37Å; W818-W822 HydrophobicContact CE3-CH2 3.37Å; W818-W822 AromaticContact CE3-CZ2 3.38Å; W818-W822 HydrophobicContact CE3-CZ2 3.38Å; W818-W822 HydrophobicContact CE3-CZ3 4.49Å; W818-W822 HydrophobicContact CG-CH2 4.33Å; W818-W822 AromaticContact CG-CZ2 3.94Å; W818-W822 HydrophobicContact CG-CZ2 3.94Å; W818-W822 HydrophobicContact CZ3-CH2 4.13Å; W818-W822 HydrophobicContact CZ3-CZ2 4.11Å; W818-W822 WeakPolarHBondContact O-CB 3.45Å; W818-W822 VanDerWaalsContact O-CD2 3.26Å; W818-W822 PolarHBondContact O-N 3.07Å |
| 819 | E | 96.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.6 | -42.1 | 174.8 | -75.1 | 170.7 | -159.6 | 0 | 0 | 111.6 | I479 G483 C484 R489 W493 F815 S823 | I479-E819 HydrophobicContact CG2-CB 3.89Å; G483-E819 WeakPolarHBondContact CA-OE2 3.35Å; C484-E819 PolarHBondContact N-OE2 3.48Å; C484-E819 PolarHBondContact SG-OE1 3.46Å; C484-E819 PolarHBondContact SG-OE2 3.35Å; C484-E819 VanDerWaalsContact SG-OE2 3.32Å; R489-E819 WeakPolarHBondContact CD-OE1 3.29Å; R489-E819 WeakPolarHBondContact CG-OE1 3.41Å; R489-E819 IonicContact CZ-OE1 3.75Å; R489-E819 IonicContact NE-OE1 2.67Å; R489-E819 PolarHBondContact NE-OE1 3.2Å; W493-E819 PolarHBondContact NE1-OE1 3.17Å; F815-E819 WeakPolarHBondContact O-CB 3.42Å; F815-E819 VanDerWaalsContact O-CG 3.23Å; F815-E819 WeakPolarHBondContact O-CG 3.31Å; F815-E819 PolarHBondContact O-N 3.19Å; E819-S823 VanDerWaalsContact O-CB 3.25Å; E819-S823 WeakPolarHBondContact O-CB 3.15Å; E819-S823 PolarHBondContact O-N 3.31Å; E819-S823 PolarHBondContact O-OG 2.71Å |
| 820 | T | 96.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.1 | -46.4 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | Y480 A816 V817 W818 S823 A824 F832 L875 | Y480-T820 HydrophobicContact CD2-CG2 3.72Å; Y480-T820 HydrophobicContact CE2-CG2 3.89Å; A816-T820 WeakPolarHBondContact O-CB 3.26Å; A816-T820 PolarHBondContact O-N 3.42Å; A816-T820 VanDerWaalsContact O-N 3.17Å; A816-T820 PolarHBondContact O-OG1 2.9Å; V817-T820 PolarHBondContact O-N 3.07Å; W818-T820 PolarHBondContact O-N 3.45Å; T820-S823 PolarHBondContact O-OG 2.68Å; T820-S823 VanDerWaalsContact O-OG 3.09Å; T820-A824 WeakPolarHBondContact O-CB 3.4Å; T820-A824 PolarHBondContact O-N 3.26Å; T820-F832 HydrophobicContact CG2-CD1 4.18Å; T820-F832 HydrophobicContact CG2-CE1 3.68Å; T820-L875 HydrophobicContact CG2-CD2 4.08Å |
| 821 | I | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 179.5 | -68.5 | 168.9 | 0 | 0 | 0 | 110.4 | R751 F805 V817 W818 A824 N825 F832 V836 | R751-I821 VanDerWaalsContact NH1-CG2 3.3Å; F805-I821 HydrophobicContact CD2-CD1 4.27Å; F805-I821 HydrophobicContact CE2-CD1 4.19Å; V817-I821 HydrophobicContact CG1-CD1 3.59Å; V817-I821 HydrophobicContact CG1-CG1 4.25Å; V817-I821 VanDerWaalsContact O-CG1 3.31Å; V817-I821 WeakPolarHBondContact O-CG1 3.44Å; V817-I821 PolarHBondContact O-N 3.23Å; W818-I821 PolarHBondContact O-N 3.42Å; I821-A824 PolarHBondContact O-N 2.76Å; I821-N825 VanDerWaalsContact O-CB 3.25Å; I821-N825 WeakPolarHBondContact O-CB 3.45Å; I821-N825 PolarHBondContact O-N 3.19Å; I821-N825 PolarHBondContact O-OD1 3.12Å; I821-F832 HydrophobicContact CG1-CD1 4.41Å; I821-V836 HydrophobicContact CD1-CG2 4.34Å; I821-V836 HydrophobicContact CG1-CG2 4.07Å |
| 822 | W | 96.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 3% | 0.027 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | -176.3 | -57.1 | -27.9 | 0 | 0 | 0 | 112.2 | W493 L496 L497 L714 L748 R751 W818 N825 K826 | W493-W822 HydrophobicContact CB-CZ3 4.25Å; W493-W822 HydrophobicContact CD2-CH2 4.07Å; W493-W822 AromaticContact CD2-CZ3 3.57Å; W493-W822 HydrophobicContact CD2-CZ3 3.57Å; W493-W822 AromaticContact CE2-CZ3 3.83Å; W493-W822 AromaticContact CE3-CH2 3.94Å; W493-W822 HydrophobicContact CE3-CH2 3.94Å; W493-W822 AromaticContact CE3-CZ3 3.93Å; W493-W822 HydrophobicContact CE3-CZ3 3.93Å; W493-W822 AromaticContact CG-CZ3 3.74Å; W493-W822 HydrophobicContact CG-CZ3 3.74Å; W493-W822 HydrophobicContact CH2-CH2 4.48Å; W493-W822 HydrophobicContact CZ2-CZ3 4.36Å; W493-W822 HydrophobicContact CZ3-CH2 4.16Å; W493-W822 HydrophobicContact CZ3-CZ3 4.46Å; L496-W822 HydrophobicContact CB-CB 3.96Å; L496-W822 HydrophobicContact CB-CE3 4.13Å; L496-W822 HydrophobicContact CD1-CB 4.45Å; L496-W822 HydrophobicContact CD1-CE3 4.11Å; L497-W822 HydrophobicContact CD1-CH2 4.02Å; L497-W822 HydrophobicContact CD1-CZ2 4.28Å; L497-W822 HydrophobicContact CD1-CZ3 4.3Å; L497-W822 HydrophobicContact CD2-CD2 3.95Å; L497-W822 HydrophobicContact CD2-CE3 4.45Å; L497-W822 HydrophobicContact CD2-CG 4.33Å; L497-W822 HydrophobicContact CD2-CH2 4.34Å; L497-W822 HydrophobicContact CD2-CZ2 3.86Å; L497-W822 HydrophobicContact CG-CD2 4.3Å; L497-W822 HydrophobicContact CG-CE3 4.32Å; L497-W822 HydrophobicContact CG-CH2 4.33Å; L497-W822 HydrophobicContact CG-CZ2 4.35Å; L497-W822 HydrophobicContact CG-CZ3 4.34Å; L714-W822 HydrophobicContact CD2-CH2 4.26Å; L748-W822 HydrophobicContact CD1-CZ2 4.4Å; R751-W822 VanDerWaalsContact NH1-CD1 3.34Å; W818-W822 HydrophobicContact CB-CD2 4.25Å; W818-W822 HydrophobicContact CB-CE3 4.33Å; W818-W822 HydrophobicContact CB-CH2 3.89Å; W818-W822 HydrophobicContact CB-CZ2 3.74Å; W818-W822 HydrophobicContact CB-CZ3 4.15Å; W818-W822 HydrophobicContact CD2-CH2 4.07Å; W818-W822 AromaticContact CD2-CZ2 3.73Å; W818-W822 HydrophobicContact CD2-CZ2 3.73Å; W818-W822 AromaticContact CE3-CH2 3.37Å; W818-W822 HydrophobicContact CE3-CH2 3.37Å; W818-W822 AromaticContact CE3-CZ2 3.38Å; W818-W822 HydrophobicContact CE3-CZ2 3.38Å; W818-W822 HydrophobicContact CE3-CZ3 4.49Å; W818-W822 HydrophobicContact CG-CH2 4.33Å; W818-W822 AromaticContact CG-CZ2 3.94Å; W818-W822 HydrophobicContact CG-CZ2 3.94Å; W818-W822 HydrophobicContact CZ3-CH2 4.13Å; W818-W822 HydrophobicContact CZ3-CZ2 4.11Å; W818-W822 WeakPolarHBondContact O-CB 3.45Å; W818-W822 VanDerWaalsContact O-CD2 3.26Å; W818-W822 PolarHBondContact O-N 3.07Å; W822-N825 PolarHBondContact O-N 3.24Å; W822-K826 WeakPolarHBondContact O-CG 3.36Å; W822-K826 PolarHBondContact O-N 2.91Å |
| 823 | S | 93.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 176.5 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | L476 Y480 E819 T820 K826 H827 | L476-S823 WeakPolarHBondContact O-CB 3.23Å; Y480-S823 VanDerWaalsContact CA-OG 3.24Å; Y480-S823 WeakPolarHBondContact CA-OG 3.35Å; Y480-S823 WeakPolarHBondContact CB-OG 3.43Å; Y480-S823 PolarHBondContact N-OG 3.48Å; E819-S823 VanDerWaalsContact O-CB 3.25Å; E819-S823 WeakPolarHBondContact O-CB 3.15Å; E819-S823 PolarHBondContact O-N 3.31Å; E819-S823 PolarHBondContact O-OG 2.71Å; T820-S823 PolarHBondContact O-OG 2.68Å; T820-S823 VanDerWaalsContact O-OG 3.09Å; S823-K826 PolarHBondContact O-N 2.77Å; S823-H827 PolarHBondContact O-CE1 3.45Å; S823-H827 VanDerWaalsContact O-CE1 3.28Å; S823-H827 PolarHBondContact O-ND1 3.09Å |
| 824 | A | 92.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y480 T820 I821 K826 H827 L828 S829 F832 | Y480-A824 HydrophobicContact CD2-CB 3.66Å; Y480-A824 HydrophobicContact CE2-CB 3.59Å; T820-A824 WeakPolarHBondContact O-CB 3.4Å; T820-A824 PolarHBondContact O-N 3.26Å; I821-A824 PolarHBondContact O-N 2.76Å; A824-K826 PolarHBondContact O-N 3.47Å; A824-K826 VanDerWaalsContact O-N 3.15Å; A824-H827 PolarHBondContact O-N 3.12Å; A824-L828 HydrophobicContact CB-CB 4.46Å; A824-L828 HydrophobicContact CB-CD1 4.43Å; A824-L828 WeakPolarHBondContact O-CA 3.43Å; A824-L828 WeakPolarHBondContact O-CB 3.48Å; A824-L828 PolarHBondContact O-N 3.28Å; A824-S829 PolarHBondContact O-N 3.03Å; A824-S829 VanDerWaalsContact O-N 3.14Å; A824-F832 HydrophobicContact CB-CB 3.5Å; A824-F832 VanDerWaalsContact CB-CB 3.5Å; A824-F832 HydrophobicContact CB-CD1 3.88Å; A824-F832 HydrophobicContact CB-CD2 3.66Å; A824-F832 HydrophobicContact CB-CE2 4.39Å; A824-F832 HydrophobicContact CB-CG 3.37Å |
| 825 | N | 92.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 14.8 Ų | 14.8 | 21% | 0.214 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.7 | -21.3 | -176.5 | -82.1 | 11.6 | 0 | 0 | 0 | 113.6 | I821 W822 S829 F832 | I821-N825 VanDerWaalsContact O-CB 3.25Å; I821-N825 WeakPolarHBondContact O-CB 3.45Å; I821-N825 PolarHBondContact O-N 3.19Å; I821-N825 PolarHBondContact O-OD1 3.12Å; W822-N825 PolarHBondContact O-N 3.24Å; N825-S829 CarbonylContact C-O 3.37Å; N825-S829 WeakPolarHBondContact CA-O 3.4Å; N825-F832 WeakPolarHBondContact OD1-CB 3.24Å; N825-F832 PolarHBondContact OD1-N 3.33Å |
| 826 | K | 89 | Confident | 93.5 | Very high | 57 Ų | 57 | 14.6 Ų | 14.6 | 25% | 0.248 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -71.7 | -35.6 | 177.5 | -67.5 | -79.3 | -173.1 | 170.1 | 0 | 113.8 | L476 F495 L496 D498 W822 S823 A824 | L476-K826 HydrophobicContact CD1-CB 3.96Å; L476-K826 HydrophobicContact CD1-CG 4.35Å; L476-K826 HydrophobicContact CD2-CB 4.28Å; L476-K826 HydrophobicContact CD2-CG 3.94Å; F495-K826 PolarHBondContact O-NZ 3.18Å; L496-K826 WeakPolarHBondContact O-CE 3.32Å; L496-K826 PolarHBondContact O-NZ 2.92Å; D498-K826 IonicContact OD1-NZ 3.51Å; D498-K826 PolarHBondContact OD1-NZ 3.47Å; D498-K826 IonicContact OD2-NZ 2.72Å; D498-K826 PolarHBondContact OD2-NZ 3.36Å; W822-K826 WeakPolarHBondContact O-CG 3.36Å; W822-K826 PolarHBondContact O-N 2.91Å; S823-K826 PolarHBondContact O-N 2.77Å; A824-K826 PolarHBondContact O-N 3.47Å; A824-K826 VanDerWaalsContact O-N 3.15Å |
| 827 | H | 83.6 | Confident | 93.6 | Very high | 40 Ų | 40 | 13.1 Ų | 13.1 | 19% | 0.185 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -146.3 | -17.2 | -165.9 | 68.8 | -69 | 0 | 0 | 0 | 115.6 | V440 S823 A824 | V440-H827 WeakPolarHBondContact CG2-O 3.25Å; S823-H827 PolarHBondContact O-CE1 3.45Å; S823-H827 VanDerWaalsContact O-CE1 3.28Å; S823-H827 PolarHBondContact O-ND1 3.09Å; A824-H827 PolarHBondContact O-N 3.12Å |
| 828 | L | 87.3 | Confident | 93.4 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -49.4 | -174.9 | -60.1 | 179.9 | 0 | 0 | 0 | 112.6 | N437 V440 Y443 Y480 A824 F882 | N437-L828 PolarHBondContact N-O 3.16Å; V440-L828 HydrophobicContact CG1-CD2 4.3Å; V440-L828 HydrophobicContact CG2-CD2 4.47Å; Y443-L828 HydrophobicContact CD2-CD2 3.86Å; Y443-L828 HydrophobicContact CE2-CD1 4.48Å; Y443-L828 HydrophobicContact CE2-CD2 3.93Å; Y480-L828 HydrophobicContact CD1-CD1 3.83Å; Y480-L828 HydrophobicContact CD2-CD1 3.94Å; Y480-L828 HydrophobicContact CE1-CD1 3.66Å; Y480-L828 HydrophobicContact CE2-CD1 3.74Å; Y480-L828 HydrophobicContact CG-CD1 3.94Å; A824-L828 HydrophobicContact CB-CB 4.46Å; A824-L828 HydrophobicContact CB-CD1 4.43Å; A824-L828 WeakPolarHBondContact O-CA 3.43Å; A824-L828 WeakPolarHBondContact O-CB 3.48Å; A824-L828 PolarHBondContact O-N 3.28Å; L828-F882 HydrophobicContact CB-CE1 4.38Å; L828-F882 HydrophobicContact CB-CE2 4.11Å; L828-F882 HydrophobicContact CB-CZ 3.78Å; L828-F882 WeakPolarHBondContact O-CE2 3.5Å; L828-F882 WeakPolarHBondContact O-CZ 3.44Å |
| 829 | S | 89.2 | Confident | 93.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -138.4 | 156.6 | -172.4 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | L435 A824 N825 N831 F832 | L435-S829 VanDerWaalsContact O-CA 3.31Å; L435-S829 WeakPolarHBondContact O-CA 3.43Å; L435-S829 VanDerWaalsContact O-CB 3.23Å; L435-S829 WeakPolarHBondContact O-CB 3.3Å; L435-S829 PolarHBondContact O-OG 3.22Å; A824-S829 PolarHBondContact O-N 3.03Å; A824-S829 VanDerWaalsContact O-N 3.14Å; N825-S829 CarbonylContact C-O 3.37Å; N825-S829 WeakPolarHBondContact CA-O 3.4Å; S829-N831 PolarHBondContact OG-N 2.79Å; S829-F832 PolarHBondContact OG-N 2.84Å | ||
| 830 | T | 85.5 | Confident | 93.3 | Very high | 63 Ų | 63 | 13.4 Ų | 13.4 | 39% | 0.387 | 7% | 0.07 | S | C | . | . | S | Bend | trans | -84 | -26.1 | 168.4 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | S434 | S434-T830 PolarHBondContact O-OG1 2.94Š|
| 831 | N | 90.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 13.4 Ų | 13.4 | 27% | 0.267 | 7% | 0.07 | S | C | . | . | trans | -141.3 | 64.8 | -172.8 | -72.1 | -64.2 | 0 | 0 | 0 | 110.7 | L435 S829 S833 V834 | L435-N831 HydrophobicContact CD2-CB 4.06Å; S829-N831 PolarHBondContact OG-N 2.79Å; N831-S833 PolarHBondContact O-N 3.24Å; N831-S833 VanDerWaalsContact O-N 3.15Å; N831-V834 HydrophobicContact CB-CG2 4.16Å; N831-V834 PolarHBondContact O-N 3.47Å; N831-V834 VanDerWaalsContact O-N 3.13Å | ||
| 832 | F | 95 | Very high | 93 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.8 | -176.8 | -164.5 | -100.1 | 0 | 0 | 0 | 113.5 | Y480 T820 I821 A824 N825 S829 V834 F835 V836 A878 R879 F882 | Y480-F832 HydrophobicContact CE2-CD1 4.36Å; Y480-F832 HydrophobicContact CE2-CD2 4.24Å; Y480-F832 AromaticContact CE2-CE1 3.85Å; Y480-F832 HydrophobicContact CE2-CE1 3.85Å; Y480-F832 AromaticContact CE2-CE2 3.71Å; Y480-F832 HydrophobicContact CE2-CE2 3.71Å; Y480-F832 AromaticContact CE2-CZ 3.5Å; Y480-F832 HydrophobicContact CE2-CZ 3.5Å; Y480-F832 VanDerWaalsContact CE2-CZ 3.5Å; Y480-F832 AromaticContact CZ-CE2 3.92Å; Y480-F832 AromaticContact CZ-CZ 3.8Å; Y480-F832 WeakPolarHBondContact OH-CE2 3.18Å; Y480-F832 VanDerWaalsContact OH-CZ 3.28Å; Y480-F832 WeakPolarHBondContact OH-CZ 3.34Å; T820-F832 HydrophobicContact CG2-CD1 4.18Å; T820-F832 HydrophobicContact CG2-CE1 3.68Å; I821-F832 HydrophobicContact CG1-CD1 4.41Å; A824-F832 HydrophobicContact CB-CB 3.5Å; A824-F832 VanDerWaalsContact CB-CB 3.5Å; A824-F832 HydrophobicContact CB-CD1 3.88Å; A824-F832 HydrophobicContact CB-CD2 3.66Å; A824-F832 HydrophobicContact CB-CE2 4.39Å; A824-F832 HydrophobicContact CB-CG 3.37Å; N825-F832 WeakPolarHBondContact OD1-CB 3.24Å; N825-F832 PolarHBondContact OD1-N 3.33Å; S829-F832 PolarHBondContact OG-N 2.84Å; F832-V834 PolarHBondContact O-N 3.38Å; F832-V834 VanDerWaalsContact O-N 3.17Å; F832-F835 HydrophobicContact CD2-CB 4.44Å; F832-F835 AromaticContact CD2-CD2 3.67Å; F832-F835 HydrophobicContact CD2-CD2 3.67Å; F832-F835 HydrophobicContact CD2-CE2 4.37Å; F832-F835 HydrophobicContact CD2-CG 4.38Å; F832-F835 HydrophobicContact CE2-CB 4.18Å; F832-F835 AromaticContact CE2-CD2 3.97Å; F832-F835 HydrophobicContact CE2-CD2 3.97Å; F832-F835 HydrophobicContact CE2-CG 4.27Å; F832-F835 HydrophobicContact CG-CD2 4.33Å; F832-F835 HydrophobicContact CZ-CB 4.29Å; F832-F835 PolarHBondContact O-N 3.28Å; F832-V836 HydrophobicContact CD1-CG2 4.05Å; F832-V836 HydrophobicContact CE1-CG2 4.07Å; F832-V836 PolarHBondContact O-N 3.45Å; F832-A878 HydrophobicContact CE1-CB 4.31Å; F832-A878 HydrophobicContact CZ-CB 4.19Å; F832-R879 HydrophobicContact CZ-CG 4.28Å; F832-F882 HydrophobicContact CD2-CD2 4.38Å; F832-F882 HydrophobicContact CE2-CB 4.01Å; F832-F882 HydrophobicContact CE2-CD2 4.22Å; F832-F882 HydrophobicContact CE2-CG 4.21Å |
| 833 | S | 95.9 | Very high | 93 | Very high | 7 Ų | 7 | 16.6 Ų | 16.6 | 5% | 0.049 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -53.9 | -30.9 | 173 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | F805 N831 F835 V836 A837 | F805-S833 WeakPolarHBondContact CZ-O 3.49Å; N831-S833 PolarHBondContact O-N 3.24Å; N831-S833 VanDerWaalsContact O-N 3.15Å; S833-F835 VanDerWaalsContact C-N 3.33Å; S833-F835 PolarHBondContact O-N 3.04Å; S833-V836 PolarHBondContact O-N 3.26Å; S833-A837 PolarHBondContact O-N 2.97Å |
| 834 | V | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | L435 Y769 V770 L773 F801 N831 F832 V836 A837 F838 | L435-V834 HydrophobicContact CD1-CG1 4.44Å; L435-V834 HydrophobicContact CD2-CG2 4.32Å; Y769-V834 HydrophobicContact CD2-CG2 4.35Å; V770-V834 HydrophobicContact CG2-CG1 4.08Å; L773-V834 HydrophobicContact CD2-CG1 4.39Å; F801-V834 HydrophobicContact CE1-CG2 4.23Å; F801-V834 HydrophobicContact CZ-CG2 4.4Å; N831-V834 HydrophobicContact CB-CG2 4.16Å; N831-V834 PolarHBondContact O-N 3.47Å; N831-V834 VanDerWaalsContact O-N 3.13Å; F832-V834 PolarHBondContact O-N 3.38Å; F832-V834 VanDerWaalsContact O-N 3.17Å; V834-V836 VanDerWaalsContact C-N 3.35Å; V834-A837 PolarHBondContact O-N 2.87Å; V834-F838 WeakPolarHBondContact O-CB 3.21Å; V834-F838 PolarHBondContact O-N 3.29Å |
| 835 | F | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.4 | -34.1 | 177.3 | -60.9 | -77.7 | 0 | 0 | 0 | 111.7 | L435 L773 F832 S833 F838 G839 A878 M881 F882 L885 | L435-F835 HydrophobicContact CB-CE2 4.35Å; L435-F835 HydrophobicContact CB-CZ 4.13Å; L435-F835 HydrophobicContact CD1-CZ 4.4Å; L773-F835 HydrophobicContact CD2-CD1 4.28Å; L773-F835 HydrophobicContact CD2-CE1 4.44Å; F832-F835 HydrophobicContact CD2-CB 4.44Å; F832-F835 AromaticContact CD2-CD2 3.67Å; F832-F835 HydrophobicContact CD2-CD2 3.67Å; F832-F835 HydrophobicContact CD2-CE2 4.37Å; F832-F835 HydrophobicContact CD2-CG 4.38Å; F832-F835 HydrophobicContact CE2-CB 4.18Å; F832-F835 AromaticContact CE2-CD2 3.97Å; F832-F835 HydrophobicContact CE2-CD2 3.97Å; F832-F835 HydrophobicContact CE2-CG 4.27Å; F832-F835 HydrophobicContact CG-CD2 4.33Å; F832-F835 HydrophobicContact CZ-CB 4.29Å; F832-F835 PolarHBondContact O-N 3.28Å; S833-F835 VanDerWaalsContact C-N 3.33Å; S833-F835 PolarHBondContact O-N 3.04Å; F835-F838 PolarHBondContact O-N 3.39Å; F835-G839 PolarHBondContact O-N 2.9Å; F835-A878 VanDerWaalsContact C-CB 3.5Å; F835-A878 HydrophobicContact CB-CB 3.93Å; F835-A878 WeakPolarHBondContact O-CA 3.45Å; F835-A878 VanDerWaalsContact O-CB 3.24Å; F835-A878 WeakPolarHBondContact O-CB 3.36Å; F835-M881 HydrophobicContact CD1-CB 4.12Å; F835-M881 HydrophobicContact CD1-CG 3.57Å; F835-M881 HydrophobicContact CE1-CG 3.95Å; F835-F882 HydrophobicContact CD1-CB 4.22Å; F835-F882 HydrophobicContact CD2-CD2 4.3Å; F835-F882 HydrophobicContact CE1-CB 4.23Å; F835-F882 HydrophobicContact CE1-CD2 4.48Å; F835-F882 AromaticContact CE2-CD2 3.77Å; F835-F882 HydrophobicContact CE2-CD2 3.77Å; F835-F882 HydrophobicContact CG-CB 4.4Å; F835-F882 HydrophobicContact CZ-CB 4.43Å; F835-F882 AromaticContact CZ-CD2 3.86Å; F835-F882 HydrophobicContact CZ-CD2 3.86Å; F835-L885 HydrophobicContact CE1-CD2 3.96Å; F835-L885 HydrophobicContact CZ-CD2 3.83Å |
| 836 | V | 98.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 173.5 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | F805 V817 I821 F832 S833 V834 F838 G839 L840 V874 L875 A878 | F805-V836 HydrophobicContact CD1-CG1 4.31Å; F805-V836 HydrophobicContact CD2-CG1 4.13Å; F805-V836 HydrophobicContact CE1-CB 4.48Å; F805-V836 HydrophobicContact CE1-CG1 4Å; F805-V836 HydrophobicContact CE2-CB 3.98Å; F805-V836 HydrophobicContact CE2-CG1 3.85Å; F805-V836 HydrophobicContact CG-CG1 4.39Å; F805-V836 HydrophobicContact CZ-CB 3.87Å; F805-V836 HydrophobicContact CZ-CG1 3.79Å; V817-V836 HydrophobicContact CG1-CG1 4.02Å; I821-V836 HydrophobicContact CD1-CG2 4.34Å; I821-V836 HydrophobicContact CG1-CG2 4.07Å; F832-V836 HydrophobicContact CD1-CG2 4.05Å; F832-V836 HydrophobicContact CE1-CG2 4.07Å; F832-V836 PolarHBondContact O-N 3.45Å; S833-V836 PolarHBondContact O-N 3.26Å; V834-V836 VanDerWaalsContact C-N 3.35Å; V836-F838 VanDerWaalsContact C-N 3.34Å; V836-F838 PolarHBondContact O-N 3.13Å; V836-G839 PolarHBondContact O-N 2.77Å; V836-L840 PolarHBondContact O-N 3.43Å; V836-V874 HydrophobicContact CG1-CG1 4.1Å; V836-L875 HydrophobicContact CG2-CD2 4.21Å; V836-A878 HydrophobicContact CG2-CB 4.41Å |
| 837 | A | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V770 W800 F801 F805 S833 V834 L840 I841 | V770-A837 HydrophobicContact CG2-CB 4.21Å; W800-A837 HydrophobicContact CE3-CB 3.88Å; W800-A837 HydrophobicContact CZ3-CB 4.2Å; F801-A837 HydrophobicContact CE1-CB 3.98Å; F801-A837 HydrophobicContact CE2-CB 4.44Å; F801-A837 HydrophobicContact CZ-CB 3.59Å; F805-A837 HydrophobicContact CE1-CB 4.05Å; F805-A837 HydrophobicContact CZ-CB 3.89Å; S833-A837 PolarHBondContact O-N 2.97Å; V834-A837 PolarHBondContact O-N 2.87Å; A837-L840 PolarHBondContact O-N 2.97Å; A837-I841 WeakPolarHBondContact O-CG1 3.36Å; A837-I841 PolarHBondContact O-N 2.72Å |
| 838 | F | 94.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.3 | -175 | -85.6 | 0 | 0 | 0 | 112.4 | L773 L774 V777 V834 F835 V836 L840 I841 Q842 M881 | L773-F838 HydrophobicContact CB-CD2 4.28Å; L773-F838 HydrophobicContact CD2-CB 3.8Å; L773-F838 HydrophobicContact CD2-CD1 4.5Å; L773-F838 HydrophobicContact CD2-CD2 3.75Å; L773-F838 HydrophobicContact CD2-CE2 4.48Å; L773-F838 HydrophobicContact CD2-CG 3.75Å; L773-F838 HydrophobicContact CG-CD2 3.82Å; L773-F838 HydrophobicContact CG-CE2 4.11Å; L773-F838 HydrophobicContact CG-CG 4.26Å; L774-F838 HydrophobicContact CD1-CE2 4Å; V777-F838 HydrophobicContact CB-CZ 4.05Å; V777-F838 HydrophobicContact CG1-CZ 3.97Å; V834-F838 WeakPolarHBondContact O-CB 3.21Å; V834-F838 PolarHBondContact O-N 3.29Å; F835-F838 PolarHBondContact O-N 3.39Å; V836-F838 VanDerWaalsContact C-N 3.34Å; V836-F838 PolarHBondContact O-N 3.13Å; F838-L840 VanDerWaalsContact C-N 3.26Å; F838-L840 PolarHBondContact O-N 3.42Å; F838-I841 PolarHBondContact O-N 3.06Å; F838-Q842 HydrophobicContact CD1-CG 3.71Å; F838-Q842 HydrophobicContact CE1-CB 4.37Å; F838-Q842 HydrophobicContact CE1-CG 3.13Å; F838-Q842 HydrophobicContact CE2-CG 4.44Å; F838-Q842 HydrophobicContact CZ-CG 3.59Å; F838-Q842 WeakPolarHBondContact O-CB 3.31Å; F838-Q842 WeakPolarHBondContact O-CG 3.2Å; F838-Q842 PolarHBondContact O-N 3.1Å; F838-M881 HydrophobicContact CD1-CB 4.45Å; F838-M881 HydrophobicContact CD1-CE 3.38Å; F838-M881 HydrophobicContact CD1-CG 4.25Å; F838-M881 HydrophobicContact CD2-CE 4.1Å; F838-M881 HydrophobicContact CE1-CE 2.9Å; F838-M881 HydrophobicContact CE2-CE 3.69Å; F838-M881 HydrophobicContact CG-CE 3.95Å; F838-M881 HydrophobicContact CZ-CE 3.07Å |
| 839 | G | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F835 V836 Q842 L843 | F835-G839 PolarHBondContact O-N 2.9Å; V836-G839 PolarHBondContact O-N 2.77Å; G839-Q842 PolarHBondContact O-N 3.2Å; G839-L843 PolarHBondContact O-N 3.14Å |
| 840 | L | 96.7 | Very high | 94 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.3 | -42.4 | 176.6 | -174.1 | 59.1 | 0 | 0 | 0 | 111.8 | W800 F805 V836 A837 F838 Q842 L843 Y844 Y862 H869 V874 | W800-L840 HydrophobicContact CD2-CD2 4.15Å; W800-L840 HydrophobicContact CE3-CD2 4.17Å; W800-L840 HydrophobicContact CH2-CB 4.43Å; W800-L840 HydrophobicContact CH2-CD2 3.77Å; W800-L840 HydrophobicContact CH2-CG 4.04Å; W800-L840 HydrophobicContact CZ2-CD2 3.75Å; W800-L840 HydrophobicContact CZ2-CG 4.39Å; W800-L840 HydrophobicContact CZ3-CB 4.31Å; W800-L840 HydrophobicContact CZ3-CD2 3.98Å; W800-L840 HydrophobicContact CZ3-CG 4.35Å; F805-L840 HydrophobicContact CD1-CD2 4.36Å; V836-L840 PolarHBondContact O-N 3.43Å; A837-L840 PolarHBondContact O-N 2.97Å; F838-L840 VanDerWaalsContact C-N 3.26Å; F838-L840 PolarHBondContact O-N 3.42Å; L840-Q842 VanDerWaalsContact C-N 3.35Å; L840-L843 PolarHBondContact O-N 3.23Å; L840-Y844 HydrophobicContact CD1-CE2 4.09Å; L840-Y862 HydrophobicContact CD1-CE1 4.05Å; L840-Y862 HydrophobicContact CD2-CD1 4.38Å; L840-Y862 HydrophobicContact CD2-CE1 4.2Å; L840-Y862 HydrophobicContact CG-CD1 4.36Å; L840-Y862 HydrophobicContact CG-CE1 3.71Å; L840-Y862 PolarHBondContact O-OH 3.02Å; L840-Y862 VanDerWaalsContact O-OH 3.13Å; L840-H869 HydrophobicContact CD1-CB 4.19Å; L840-V874 HydrophobicContact CB-CG1 4.22Å; L840-V874 HydrophobicContact CD1-CG2 3.97Å |
| 841 | I | 94.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59 | -47.2 | 172.6 | -69.2 | 166.9 | 0 | 0 | 0 | 110.9 | V770 L774 L781 F796 W800 A837 F838 L843 Y844 R845 Y862 | V770-I841 HydrophobicContact CG1-CD1 3.84Å; L774-I841 HydrophobicContact CD1-CG2 4.46Å; L781-I841 HydrophobicContact CD2-CG2 3.48Å; L781-I841 VanDerWaalsContact CD2-CG2 3.48Å; F796-I841 HydrophobicContact CE2-CD1 4.06Å; F796-I841 HydrophobicContact CE2-CG1 4.1Å; F796-I841 HydrophobicContact CZ-CD1 4.19Å; F796-I841 HydrophobicContact CZ-CG1 4.47Å; W800-I841 HydrophobicContact CH2-CG1 4.03Å; W800-I841 HydrophobicContact CZ3-CD1 4.33Å; W800-I841 HydrophobicContact CZ3-CG1 3.93Å; A837-I841 WeakPolarHBondContact O-CG1 3.36Å; A837-I841 PolarHBondContact O-N 2.72Å; F838-I841 PolarHBondContact O-N 3.06Å; I841-L843 VanDerWaalsContact C-N 3.32Å; I841-L843 PolarHBondContact O-N 3.11Å; I841-Y844 PolarHBondContact O-N 2.76Å; I841-R845 PolarHBondContact O-N 3.45Å; I841-R845 VanDerWaalsContact O-N 3.15Å; I841-Y862 WeakPolarHBondContact CA-OH 3.45Å |
| 842 | Q | 92.5 | Very high | 94.1 | Very high | 33 Ų | 33 | 32.4 Ų | 32.4 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.6 | -31.3 | -177.3 | -78.8 | -62.5 | -7.1 | 0 | 0 | 113.9 | D778 F838 G839 L840 Y844 R845 M877 | D778-Q842 PolarHBondContact OD2-NE2 2.81Å; F838-Q842 HydrophobicContact CD1-CG 3.71Å; F838-Q842 HydrophobicContact CE1-CB 4.37Å; F838-Q842 HydrophobicContact CE1-CG 3.13Å; F838-Q842 HydrophobicContact CE2-CG 4.44Å; F838-Q842 HydrophobicContact CZ-CG 3.59Å; F838-Q842 WeakPolarHBondContact O-CB 3.31Å; F838-Q842 WeakPolarHBondContact O-CG 3.2Å; F838-Q842 PolarHBondContact O-N 3.1Å; G839-Q842 PolarHBondContact O-N 3.2Å; L840-Q842 VanDerWaalsContact C-N 3.35Å; Q842-Y844 PolarHBondContact O-N 2.68Å; Q842-R845 WeakPolarHBondContact O-CB 3.47Å; Q842-R845 PolarHBondContact O-N 3.33Å; Q842-M877 HydrophobicContact CB-CE 3.77Å; Q842-M877 HydrophobicContact CB-SD 4.15Å |
| 843 | L | 95.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.4 | -33.5 | 177.3 | -178.9 | 62.3 | 0 | 0 | 0 | 112.1 | G839 L840 I841 D870 K873 V874 M877 | G839-L843 PolarHBondContact O-N 3.14Å; L840-L843 PolarHBondContact O-N 3.23Å; I841-L843 VanDerWaalsContact C-N 3.32Å; I841-L843 PolarHBondContact O-N 3.11Å; L843-D870 HydrophobicContact CD2-CB 4.35Å; L843-K873 HydrophobicContact CD1-CB 4.2Å; L843-K873 HydrophobicContact CD1-CD 4.25Å; L843-V874 HydrophobicContact CB-CG2 4.45Å; L843-V874 HydrophobicContact CD2-CG2 3.73Å; L843-M877 HydrophobicContact CB-SD 4.3Å |
| 844 | Y | 95.2 | Very high | 93.3 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 16.5 | -178.5 | -57 | -69.8 | 0 | 0 | 0 | 113.3 | L840 I841 Q842 D846 I847 I848 F861 Y862 M865 H869 | L840-Y844 HydrophobicContact CD1-CE2 4.09Å; I841-Y844 PolarHBondContact O-N 2.76Å; Q842-Y844 PolarHBondContact O-N 2.68Å; Y844-D846 VanDerWaalsContact C-N 3.35Å; Y844-D846 PolarHBondContact O-N 3.43Å; Y844-I847 HydrophobicContact CD1-CD1 3.97Å; Y844-I847 PolarHBondContact O-N 2.92Å; Y844-I847 VanDerWaalsContact O-N 3.14Å; Y844-I848 WeakPolarHBondContact O-CG1 3.38Å; Y844-I848 PolarHBondContact O-N 2.92Å; Y844-F861 HydrophobicContact CD1-CE1 4.02Å; Y844-F861 AromaticContact CD1-CZ 3.69Å; Y844-F861 HydrophobicContact CD1-CZ 3.69Å; Y844-F861 AromaticContact CD2-CE1 3.95Å; Y844-F861 HydrophobicContact CD2-CE1 3.95Å; Y844-F861 HydrophobicContact CD2-CZ 4.43Å; Y844-F861 HydrophobicContact CE1-CZ 4.16Å; Y844-F861 AromaticContact CG-CE1 3.65Å; Y844-F861 HydrophobicContact CG-CE1 3.65Å; Y844-F861 AromaticContact CG-CZ 3.81Å; Y844-F861 HydrophobicContact CG-CZ 3.81Å; Y844-Y862 AromaticContact CD2-CE1 3.67Å; Y844-Y862 HydrophobicContact CD2-CE1 3.67Å; Y844-Y862 HydrophobicContact CE2-CE1 4.05Å; Y844-M865 HydrophobicContact CE1-CE 3.91Å; Y844-M865 VanDerWaalsContact OH-CE 3.27Å; Y844-M865 WeakPolarHBondContact OH-CE 3.46Å; Y844-H869 AromaticContact CE2-CE1 3.9Å; Y844-H869 AromaticContact CE2-ND1 3.38Å; Y844-H869 WeakPolarHBondContact CE2-ND1 3.28Å; Y844-H869 AromaticContact CZ-ND1 3.59Å; Y844-H869 PolarHBondContact OH-ND1 3.31Å |
| 845 | R | 93.1 | Very high | 92.9 | Very high | 49 Ų | 49 | 40.9 Ų | 40.9 | 19% | 0.185 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -47.3 | -54.9 | -179.2 | -177.8 | -154.3 | -172.9 | -89.1 | -10.3 | 112.3 | D778 E780 L781 I841 Q842 I847 I848 V849 | D778-R845 IonicContact OD1-CZ 3.45Å; D778-R845 IonicContact OD1-NE 3.11Å; D778-R845 PolarHBondContact OD1-NE 3.22Å; D778-R845 IonicContact OD1-NH2 3.68Å; D778-R845 PolarHBondContact OD1-NH2 3.43Å; D778-R845 WeakPolarHBondContact OD2-CD 3.46Å; D778-R845 IonicContact OD2-CZ 3.89Å; D778-R845 IonicContact OD2-NE 2.82Å; D778-R845 PolarHBondContact OD2-NE 2.87Å; D778-R845 IonicContact OD2-NH2 2.8Å; E780-R845 IonicContact OE2-CZ 3.9Å; E780-R845 IonicContact OE2-NH1 3.02Å; E780-R845 IonicContact OE2-NH2 3.68Å; E780-R845 PolarHBondContact OE2-NH2 2.88Å; L781-R845 HydrophobicContact CD2-CG 4.05Å; I841-R845 PolarHBondContact O-N 3.45Å; I841-R845 VanDerWaalsContact O-N 3.15Å; Q842-R845 WeakPolarHBondContact O-CB 3.47Å; Q842-R845 PolarHBondContact O-N 3.33Å; R845-I847 VanDerWaalsContact C-N 3.29Å; R845-I847 PolarHBondContact O-N 3.26Å; R845-I848 PolarHBondContact O-N 3.44Å; R845-I848 VanDerWaalsContact O-N 3.15Å; R845-V849 HydrophobicContact CG-CG2 4.48Å; R845-V849 WeakPolarHBondContact O-CG2 3.22Å; R845-V849 PolarHBondContact O-N 2.96Å |
| 846 | D | 94.1 | Very high | 92.4 | Very high | 101 Ų | 101 | 42.8 Ų | 42.8 | 54% | 0.54 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.4 | -37.3 | -174.2 | -59.8 | -26.4 | 0 | 0 | 0 | 111.1 | Y844 I848 V849 D850 | Y844-D846 VanDerWaalsContact C-N 3.35Å; Y844-D846 PolarHBondContact O-N 3.43Å; D846-I848 PolarHBondContact O-N 3.49Å; D846-V849 PolarHBondContact O-N 3.25Å; D846-D850 WeakPolarHBondContact O-CB 3.42Å; D846-D850 PolarHBondContact O-N 3.47Å |
| 847 | I | 93.7 | Very high | 92.1 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.5 | -42.8 | 175.6 | -57.1 | -176.7 | 0 | 0 | 0 | 111 | Y844 R845 N851 M853 F861 | Y844-I847 HydrophobicContact CD1-CD1 3.97Å; Y844-I847 PolarHBondContact O-N 2.92Å; Y844-I847 VanDerWaalsContact O-N 3.14Å; R845-I847 VanDerWaalsContact C-N 3.29Å; R845-I847 PolarHBondContact O-N 3.26Å; I847-N851 WeakPolarHBondContact O-CB 3.41Å; I847-N851 PolarHBondContact O-N 2.75Å; I847-N851 PolarHBondContact O-ND2 3.16Å; I847-M853 HydrophobicContact CG2-CE 3.67Å; I847-F861 HydrophobicContact CD1-CZ 4.33Å; I847-F861 HydrophobicContact CG2-CE2 4.18Å; I847-F861 HydrophobicContact CG2-CZ 4.38Å |
| 848 | I | 90.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 179.4 | -65 | 166 | 0 | 0 | 0 | 110.1 | L781 L784 Y844 R845 D846 S852 M853 I858 Y862 | L781-I848 HydrophobicContact CD1-CB 4.29Å; L781-I848 HydrophobicContact CD1-CG2 3.68Å; L784-I848 HydrophobicContact CD2-CG2 4.04Å; Y844-I848 WeakPolarHBondContact O-CG1 3.38Å; Y844-I848 PolarHBondContact O-N 2.92Å; R845-I848 PolarHBondContact O-N 3.44Å; R845-I848 VanDerWaalsContact O-N 3.15Å; D846-I848 PolarHBondContact O-N 3.49Å; I848-S852 PolarHBondContact O-N 2.97Å; I848-S852 VanDerWaalsContact O-N 3.14Å; I848-M853 HydrophobicContact CG1-SD 4.17Å; I848-M853 HydrophobicContact CG2-CB 4.37Å; I848-M853 PolarHBondContact O-N 3.1Å; I848-M853 VanDerWaalsContact O-N 3.1Å; I848-I858 HydrophobicContact CG2-CD1 4.2Å; I848-I858 HydrophobicContact CG2-CG1 4.46Å; I848-Y862 HydrophobicContact CD1-CE2 4.45Å |
| 849 | V | 89.7 | Confident | 91.6 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 15% | 0.152 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70 | -50.4 | -178.6 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | L781 L784 R845 D846 N851 S852 | L781-V849 HydrophobicContact CD1-CG2 4.05Å; L784-V849 HydrophobicContact CD2-CB 4.41Å; L784-V849 HydrophobicContact CD2-CG2 4.1Å; R845-V849 HydrophobicContact CG-CG2 4.48Å; R845-V849 WeakPolarHBondContact O-CG2 3.22Å; R845-V849 PolarHBondContact O-N 2.96Å; D846-V849 PolarHBondContact O-N 3.25Å; V849-N851 VanDerWaalsContact C-N 3.29Å; V849-N851 PolarHBondContact O-N 2.99Å; V849-S852 PolarHBondContact O-N 3.22Å |
| 850 | D | 93.4 | Very high | 91.4 | Very high | 131 Ų | 131 | 56.3 Ų | 56.3 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.8 | -35.5 | -176.1 | -71.4 | -16 | 0 | 0 | 0 | 112.4 | D846 | D846-D850 WeakPolarHBondContact O-CB 3.42Å; D846-D850 PolarHBondContact O-N 3.47Å |
| 851 | N | 90.4 | Very high | 91.3 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 57% | 0.572 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -2.7 | 177 | -64.2 | -72.7 | 0 | 0 | 0 | 113.3 | I847 V849 M853 | I847-N851 WeakPolarHBondContact O-CB 3.41Å; I847-N851 PolarHBondContact O-N 2.75Å; I847-N851 PolarHBondContact O-ND2 3.16Å; V849-N851 VanDerWaalsContact C-N 3.29Å; V849-N851 PolarHBondContact O-N 2.99Å; N851-M853 HydrophobicContact CB-CE 4.12Å; N851-M853 HydrophobicContact CB-CG 3.91Å; N851-M853 PolarHBondContact O-N 3.11Å |
| 852 | S | 87.6 | Confident | 91.4 | Very high | 71 Ų | 71 | 57.8 Ų | 57.8 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 45.4 | -175.9 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | N788 I848 V849 E854 | N788-S852 PolarHBondContact ND2-O 3.48Å; I848-S852 PolarHBondContact O-N 2.97Å; I848-S852 VanDerWaalsContact O-N 3.14Å; V849-S852 PolarHBondContact O-N 3.22Å; S852-E854 PolarHBondContact O-N 3.46Å |
| 853 | M | 88.9 | Confident | 91.4 | Very high | 24 Ų | 24 | 58.3 Ų | 58.3 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | trans | -58 | 138.9 | -170 | -66.5 | -175 | 170.4 | 0 | 0 | 111.9 | N788 I847 I848 N851 D857 I858 F861 | N788-M853 PolarHBondContact ND2-O 2.8Å; I847-M853 HydrophobicContact CG2-CE 3.67Å; I848-M853 HydrophobicContact CG1-SD 4.17Å; I848-M853 HydrophobicContact CG2-CB 4.37Å; I848-M853 PolarHBondContact O-N 3.1Å; I848-M853 VanDerWaalsContact O-N 3.1Å; N851-M853 HydrophobicContact CB-CE 4.12Å; N851-M853 HydrophobicContact CB-CG 3.91Å; N851-M853 PolarHBondContact O-N 3.11Å; M853-D857 HydrophobicContact CB-CB 4.19Å; M853-I858 HydrophobicContact CB-CG1 3.86Å; M853-F861 HydrophobicContact CE-CD2 4.12Å; M853-F861 HydrophobicContact CE-CG 4.38Å; M853-F861 HydrophobicContact SD-CB 4.41Å; M853-F861 HydrophobicContact SD-CG 4.43Å | ||
| 854 | E | 86.4 | Confident | 91.4 | Very high | 118 Ų | 118 | 61.8 Ų | 61.8 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | trans | -84 | 166.4 | 170.5 | -63.7 | -174 | 172.8 | 0 | 0 | 111.3 | N788 S852 A856 D857 I858 | N788-E854 HydrophobicContact CB-CG 4.35Å; S852-E854 PolarHBondContact O-N 3.46Å; E854-A856 VanDerWaalsContact C-N 3.28Å; E854-A856 PolarHBondContact O-N 2.79Å; E854-D857 WeakPolarHBondContact O-CB 3.49Å; E854-D857 PolarHBondContact O-N 3.45Å; E854-I858 WeakPolarHBondContact O-CG1 3.48Å; E854-I858 PolarHBondContact O-N 3.32Å | ||
| 855 | F | 85.4 | Confident | 91.4 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -52 | -44.2 | -178.3 | 177.7 | -100.1 | 0 | 0 | 0 | 113.6 | T792 F795 F796 D857 I858 I859 | T792-F855 HydrophobicContact CG2-CD1 4.18Å; T792-F855 HydrophobicContact CG2-CD2 4.15Å; T792-F855 HydrophobicContact CG2-CE1 4.03Å; T792-F855 HydrophobicContact CG2-CE2 3.99Å; T792-F855 HydrophobicContact CG2-CG 4.24Å; T792-F855 HydrophobicContact CG2-CZ 3.94Å; T792-F855 WeakPolarHBondContact OG1-CD2 3.24Å; T792-F855 VanDerWaalsContact OG1-CE2 3.22Å; T792-F855 WeakPolarHBondContact OG1-CE2 3.4Å; F795-F855 HydrophobicContact CB-CE2 4.04Å; F795-F855 HydrophobicContact CB-CZ 3.89Å; F795-F855 HydrophobicContact CD1-CZ 4.26Å; F796-F855 HydrophobicContact CB-CE2 3.95Å; F796-F855 HydrophobicContact CB-CZ 4.41Å; F796-F855 AromaticContact CD1-CD2 3.94Å; F796-F855 HydrophobicContact CD1-CD2 3.94Å; F796-F855 AromaticContact CD1-CE2 3.87Å; F796-F855 HydrophobicContact CD1-CE2 3.87Å; F796-F855 HydrophobicContact CG-CE2 4.41Å; F855-D857 VanDerWaalsContact C-N 3.32Å; F855-D857 PolarHBondContact O-N 2.99Å; F855-I858 PolarHBondContact O-N 3.01Å; F855-I859 HydrophobicContact CD1-CD1 3.99Å; F855-I859 HydrophobicContact CE1-CD1 3.39Å; F855-I859 HydrophobicContact CE1-CG1 4.49Å; F855-I859 HydrophobicContact CE2-CD1 4.41Å; F855-I859 HydrophobicContact CZ-CD1 3.64Å; F855-I859 PolarHBondContact O-N 2.91Å |
| 856 | A | 86.9 | Confident | 91.5 | Very high | 41 Ų | 41 | 62.2 Ų | 62.2 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E854 I859 R860 | E854-A856 VanDerWaalsContact C-N 3.28Å; E854-A856 PolarHBondContact O-N 2.79Å; A856-I859 PolarHBondContact O-N 3.2Å; A856-R860 WeakPolarHBondContact O-CG 3.2Å; A856-R860 PolarHBondContact O-N 3.3Å; A856-R860 VanDerWaalsContact O-N 3.13Å |
| 857 | D | 90.8 | Very high | 91.5 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 34% | 0.342 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.4 | -37.9 | 178.8 | -61.1 | -30.7 | 0 | 0 | 0 | 111.1 | M853 E854 F855 I859 R860 F861 | M853-D857 HydrophobicContact CB-CB 4.19Å; E854-D857 WeakPolarHBondContact O-CB 3.49Å; E854-D857 PolarHBondContact O-N 3.45Å; F855-D857 VanDerWaalsContact C-N 3.32Å; F855-D857 PolarHBondContact O-N 2.99Å; D857-I859 VanDerWaalsContact C-N 3.34Å; D857-I859 PolarHBondContact O-N 3.38Å; D857-R860 PolarHBondContact O-N 3.49Å; D857-R860 IonicContact OD1-NH1 3.23Å; D857-R860 PolarHBondContact OD1-NH1 2.9Å; D857-R860 VanDerWaalsContact OD1-NH1 3.11Å; D857-F861 WeakPolarHBondContact O-CB 3.46Å; D857-F861 PolarHBondContact O-N 3.47Å |
| 858 | I | 90.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 173.3 | -64.9 | 172.2 | 0 | 0 | 0 | 110.4 | F796 I848 M853 E854 F855 R860 F861 Y862 | F796-I858 HydrophobicContact CB-CG2 4.29Å; F796-I858 HydrophobicContact CD1-CG2 3.95Å; F796-I858 HydrophobicContact CD2-CG2 3.76Å; F796-I858 HydrophobicContact CE1-CD1 4.29Å; F796-I858 HydrophobicContact CE1-CG2 4.2Å; F796-I858 HydrophobicContact CE2-CG2 4.02Å; F796-I858 HydrophobicContact CG-CG2 3.74Å; F796-I858 HydrophobicContact CZ-CG2 4.24Å; I848-I858 HydrophobicContact CG2-CD1 4.2Å; I848-I858 HydrophobicContact CG2-CG1 4.46Å; M853-I858 HydrophobicContact CB-CG1 3.86Å; E854-I858 WeakPolarHBondContact O-CG1 3.48Å; E854-I858 PolarHBondContact O-N 3.32Å; F855-I858 PolarHBondContact O-N 3.01Å; I858-R860 PolarHBondContact O-N 2.95Å; I858-F861 PolarHBondContact O-N 2.92Å; I858-Y862 HydrophobicContact CG2-CD2 3.74Å; I858-Y862 HydrophobicContact CG2-CE2 3.77Å; I858-Y862 VanDerWaalsContact O-CD2 3.29Å; I858-Y862 WeakPolarHBondContact O-CD2 3.34Å; I858-Y862 PolarHBondContact O-N 2.89Å |
| 859 | I | 90.5 | Very high | 91.9 | Very high | 77 Ų | 77 | 62.7 Ų | 62.7 | 40% | 0.395 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 178.2 | -68.8 | 172.7 | 0 | 0 | 0 | 111.2 | F796 F855 A856 D857 F861 Y862 A863 | F796-I859 HydrophobicContact CB-CD1 4.26Å; F796-I859 HydrophobicContact CB-CG1 3.55Å; F855-I859 HydrophobicContact CD1-CD1 3.99Å; F855-I859 HydrophobicContact CE1-CD1 3.39Å; F855-I859 HydrophobicContact CE1-CG1 4.49Å; F855-I859 HydrophobicContact CE2-CD1 4.41Å; F855-I859 HydrophobicContact CZ-CD1 3.64Å; F855-I859 PolarHBondContact O-N 2.91Å; A856-I859 PolarHBondContact O-N 3.2Å; D857-I859 VanDerWaalsContact C-N 3.34Å; D857-I859 PolarHBondContact O-N 3.38Å; I859-F861 VanDerWaalsContact C-N 3.35Å; I859-Y862 PolarHBondContact O-N 3.5Å; I859-A863 WeakPolarHBondContact O-CB 3.36Å; I859-A863 PolarHBondContact O-N 3.14Å |
| 860 | R | 92.6 | Very high | 92.2 | Very high | 149 Ų | 149 | 64.3 Ų | 64.3 | 56% | 0.562 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.2 | -44.2 | 179 | -70 | -179.8 | -165.7 | 116.1 | 0.7 | 111.2 | A856 D857 I858 Y862 A863 D864 | A856-R860 WeakPolarHBondContact O-CG 3.2Å; A856-R860 PolarHBondContact O-N 3.3Å; A856-R860 VanDerWaalsContact O-N 3.13Å; D857-R860 PolarHBondContact O-N 3.49Å; D857-R860 IonicContact OD1-NH1 3.23Å; D857-R860 PolarHBondContact OD1-NH1 2.9Å; D857-R860 VanDerWaalsContact OD1-NH1 3.11Å; I858-R860 PolarHBondContact O-N 2.95Å; R860-Y862 PolarHBondContact O-N 2.73Å; R860-A863 PolarHBondContact O-N 3.35Å; R860-D864 WeakPolarHBondContact O-CB 3.38Å; R860-D864 PolarHBondContact O-N 3.09Å |
| 861 | F | 95.2 | Very high | 92.4 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.8 | -50.8 | 178.3 | 173.3 | -98.1 | 0 | 0 | 0 | 112 | Y844 I847 M853 D857 I858 I859 A863 D864 M865 | Y844-F861 HydrophobicContact CD1-CE1 4.02Å; Y844-F861 AromaticContact CD1-CZ 3.69Å; Y844-F861 HydrophobicContact CD1-CZ 3.69Å; Y844-F861 AromaticContact CD2-CE1 3.95Å; Y844-F861 HydrophobicContact CD2-CE1 3.95Å; Y844-F861 HydrophobicContact CD2-CZ 4.43Å; Y844-F861 HydrophobicContact CE1-CZ 4.16Å; Y844-F861 AromaticContact CG-CE1 3.65Å; Y844-F861 HydrophobicContact CG-CE1 3.65Å; Y844-F861 AromaticContact CG-CZ 3.81Å; Y844-F861 HydrophobicContact CG-CZ 3.81Å; I847-F861 HydrophobicContact CD1-CZ 4.33Å; I847-F861 HydrophobicContact CG2-CE2 4.18Å; I847-F861 HydrophobicContact CG2-CZ 4.38Å; M853-F861 HydrophobicContact CE-CD2 4.12Å; M853-F861 HydrophobicContact CE-CG 4.38Å; M853-F861 HydrophobicContact SD-CB 4.41Å; M853-F861 HydrophobicContact SD-CG 4.43Å; D857-F861 WeakPolarHBondContact O-CB 3.46Å; D857-F861 PolarHBondContact O-N 3.47Å; I858-F861 PolarHBondContact O-N 2.92Å; I859-F861 VanDerWaalsContact C-N 3.35Å; F861-A863 PolarHBondContact O-N 2.94Å; F861-D864 PolarHBondContact O-N 3.4Å; F861-M865 HydrophobicContact CD2-CG 4.3Å; F861-M865 HydrophobicContact CE1-CG 4.15Å; F861-M865 HydrophobicContact CE2-CG 3.9Å; F861-M865 HydrophobicContact CZ-CG 3.82Å; F861-M865 WeakPolarHBondContact O-CB 3.39Å; F861-M865 VanDerWaalsContact O-CG 3.27Å; F861-M865 WeakPolarHBondContact O-CG 3.32Å; F861-M865 PolarHBondContact O-N 3.25Å |
| 862 | Y | 95.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 178.4 | -80.9 | -73.1 | 0 | 0 | 0 | 112.4 | W800 L840 I841 Y844 I848 I858 I859 R860 D864 M865 A866 H869 | W800-Y862 HydrophobicContact CH2-CD1 4.26Å; W800-Y862 HydrophobicContact CH2-CD2 4.25Å; W800-Y862 HydrophobicContact CH2-CE1 4.01Å; W800-Y862 AromaticContact CH2-CE2 4Å; W800-Y862 HydrophobicContact CH2-CE2 4Å; W800-Y862 HydrophobicContact CH2-CG 4.4Å; W800-Y862 AromaticContact CH2-CZ 3.88Å; W800-Y862 AromaticContact CZ2-CD1 3.68Å; W800-Y862 HydrophobicContact CZ2-CD1 3.68Å; W800-Y862 AromaticContact CZ2-CD2 3.8Å; W800-Y862 HydrophobicContact CZ2-CD2 3.8Å; W800-Y862 AromaticContact CZ2-CE1 3.92Å; W800-Y862 HydrophobicContact CZ2-CE1 3.92Å; W800-Y862 HydrophobicContact CZ2-CE2 4.02Å; W800-Y862 AromaticContact CZ2-CG 3.65Å; W800-Y862 HydrophobicContact CZ2-CG 3.65Å; L840-Y862 HydrophobicContact CD1-CE1 4.05Å; L840-Y862 HydrophobicContact CD2-CD1 4.38Å; L840-Y862 HydrophobicContact CD2-CE1 4.2Å; L840-Y862 HydrophobicContact CG-CD1 4.36Å; L840-Y862 HydrophobicContact CG-CE1 3.71Å; L840-Y862 PolarHBondContact O-OH 3.02Å; L840-Y862 VanDerWaalsContact O-OH 3.13Å; I841-Y862 WeakPolarHBondContact CA-OH 3.45Å; Y844-Y862 AromaticContact CD2-CE1 3.67Å; Y844-Y862 HydrophobicContact CD2-CE1 3.67Å; Y844-Y862 HydrophobicContact CE2-CE1 4.05Å; I848-Y862 HydrophobicContact CD1-CE2 4.45Å; I858-Y862 HydrophobicContact CG2-CD2 3.74Å; I858-Y862 HydrophobicContact CG2-CE2 3.77Å; I858-Y862 VanDerWaalsContact O-CD2 3.29Å; I858-Y862 WeakPolarHBondContact O-CD2 3.34Å; I858-Y862 PolarHBondContact O-N 2.89Å; I859-Y862 PolarHBondContact O-N 3.5Å; R860-Y862 PolarHBondContact O-N 2.73Å; Y862-D864 VanDerWaalsContact C-N 3.33Å; Y862-D864 PolarHBondContact O-N 3.38Å; Y862-M865 CarbonylContact O-C 3.53Å; Y862-M865 PolarHBondContact O-N 2.75Å; Y862-A866 PolarHBondContact O-N 2.9Å; Y862-H869 AromaticContact CD1-CE1 3.8Å |
| 863 | A | 93.2 | Very high | 93 | Very high | 44 Ų | 44 | 58.5 Ų | 58.5 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I859 R860 F861 M865 A866 | I859-A863 WeakPolarHBondContact O-CB 3.36Å; I859-A863 PolarHBondContact O-N 3.14Å; R860-A863 PolarHBondContact O-N 3.35Å; F861-A863 PolarHBondContact O-N 2.94Å; A863-M865 VanDerWaalsContact C-N 3.32Å; A863-A866 WeakPolarHBondContact O-CB 3.2Å; A863-A866 PolarHBondContact O-N 3.31Å |
| 864 | D | 96.1 | Very high | 93.4 | Very high | 115 Ų | 115 | 57.6 Ų | 57.6 | 62% | 0.615 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -72.3 | -26.5 | 177.4 | -71.5 | -18.2 | 0 | 0 | 0 | 112.9 | R860 F861 Y862 K868 | R860-D864 WeakPolarHBondContact O-CB 3.38Å; R860-D864 PolarHBondContact O-N 3.09Å; F861-D864 PolarHBondContact O-N 3.4Å; Y862-D864 VanDerWaalsContact C-N 3.33Å; Y862-D864 PolarHBondContact O-N 3.38Å; D864-K868 PolarHBondContact O-NZ 3.34Å |
| 865 | M | 95.5 | Very high | 93.9 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -89.3 | -4.2 | 177.6 | -70.8 | -60.2 | -63.9 | 0 | 0 | 114 | Y844 F861 Y862 A863 G867 K868 H869 | Y844-M865 HydrophobicContact CE1-CE 3.91Å; Y844-M865 VanDerWaalsContact OH-CE 3.27Å; Y844-M865 WeakPolarHBondContact OH-CE 3.46Å; F861-M865 HydrophobicContact CD2-CG 4.3Å; F861-M865 HydrophobicContact CE1-CG 4.15Å; F861-M865 HydrophobicContact CE2-CG 3.9Å; F861-M865 HydrophobicContact CZ-CG 3.82Å; F861-M865 WeakPolarHBondContact O-CB 3.39Å; F861-M865 VanDerWaalsContact O-CG 3.27Å; F861-M865 WeakPolarHBondContact O-CG 3.32Å; F861-M865 PolarHBondContact O-N 3.25Å; Y862-M865 CarbonylContact O-C 3.53Å; Y862-M865 PolarHBondContact O-N 2.75Å; A863-M865 VanDerWaalsContact C-N 3.32Å; M865-G867 PolarHBondContact O-N 3.48Å; M865-K868 HydrophobicContact CE-CB 4.14Å; M865-K868 WeakPolarHBondContact O-CA 3.38Å; M865-K868 WeakPolarHBondContact O-CB 3.43Å; M865-K868 PolarHBondContact O-N 2.82Å; M865-H869 VanDerWaalsContact CB-CE1 3.41Å; M865-H869 WeakPolarHBondContact CB-CE1 3.29Å; M865-H869 PolarHBondContact O-CE1 2.94Å |
| 866 | A | 94.6 | Very high | 94.3 | Very high | 35 Ų | 35 | 55.8 Ų | 55.8 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 131.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y862 A863 K868 | Y862-A866 PolarHBondContact O-N 2.9Å; A863-A866 WeakPolarHBondContact O-CB 3.2Å; A863-A866 PolarHBondContact O-N 3.31Å; A866-K868 VanDerWaalsContact C-N 3.26Å; A866-K868 PolarHBondContact O-N 3.3Å |
| 867 | G | 93.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 57 Ų | 57 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 4.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | E808 T810 M865 | E808-G867 PolarHBondContact O-N 2.99Å; T810-G867 WeakPolarHBondContact CG2-O 3.19Å; M865-G867 PolarHBondContact O-N 3.48Å |
| 868 | K | 96.3 | Very high | 95 | Very high | 143 Ų | 143 | 54 Ų | 54 | 62% | 0.622 | 28% | 0.281 | S | S | * | . | trans | -120.1 | 8 | -177.3 | -54.2 | 172.3 | -170.1 | 153.3 | 0 | 113.5 | D864 M865 A866 | D864-K868 PolarHBondContact O-NZ 3.34Å; M865-K868 HydrophobicContact CE-CB 4.14Å; M865-K868 WeakPolarHBondContact O-CA 3.38Å; M865-K868 WeakPolarHBondContact O-CB 3.43Å; M865-K868 PolarHBondContact O-N 2.82Å; A866-K868 VanDerWaalsContact C-N 3.26Å; A866-K868 PolarHBondContact O-N 3.3Å | ||
| 869 | H | 96.1 | Very high | 95 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | trans | -74.7 | 140.1 | -179.8 | -56.8 | -49.4 | 0 | 0 | 0 | 111.5 | E808 L809 L840 Y844 Y862 M865 V871 | E808-H869 PolarHBondContact O-CD2 2.72Å; L809-H869 HydrophobicContact CD2-CB 4.42Å; L840-H869 HydrophobicContact CD1-CB 4.19Å; Y844-H869 AromaticContact CE2-CE1 3.9Å; Y844-H869 AromaticContact CE2-ND1 3.38Å; Y844-H869 WeakPolarHBondContact CE2-ND1 3.28Å; Y844-H869 AromaticContact CZ-ND1 3.59Å; Y844-H869 PolarHBondContact OH-ND1 3.31Å; Y862-H869 AromaticContact CD1-CE1 3.8Å; M865-H869 VanDerWaalsContact CB-CE1 3.41Å; M865-H869 WeakPolarHBondContact CB-CE1 3.29Å; M865-H869 PolarHBondContact O-CE1 2.94Å; H869-V871 VanDerWaalsContact C-N 3.31Å; H869-V871 HydrophobicContact CB-CG2 4.46Å; H869-V871 PolarHBondContact O-N 3.44Å | ||
| 870 | D | 96.8 | Very high | 95 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | trans | -78.2 | 83.7 | 171.1 | -173.7 | -21 | 0 | 0 | 0 | 109.4 | L843 S872 K873 V874 | L843-D870 HydrophobicContact CD2-CB 4.35Å; D870-S872 PolarHBondContact O-N 2.9Å; D870-S872 PolarHBondContact OD1-N 3.15Å; D870-K873 HydrophobicContact CB-CB 4.26Å; D870-K873 HydrophobicContact CB-CD 4.37Å; D870-K873 HydrophobicContact CB-CG 4.44Å; D870-K873 PolarHBondContact O-N 3.35Å; D870-K873 VanDerWaalsContact O-N 3.1Å; D870-K873 PolarHBondContact OD1-N 2.9Å; D870-K873 VanDerWaalsContact OD1-N 3.17Å; D870-K873 WeakPolarHBondContact OD2-CD 3.47Å; D870-K873 WeakPolarHBondContact OD2-CE 3.49Å; D870-K873 WeakPolarHBondContact OD2-CG 3.32Å; D870-K873 IonicContact OD2-NZ 3.61Å; D870-K873 PolarHBondContact OD2-NZ 3.4Å; D870-V874 WeakPolarHBondContact O-CG2 3.4Å; D870-V874 PolarHBondContact O-N 3.31Å | ||
| 871 | V | 96.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.2 | -31.6 | -174.3 | 175 | 0 | 0 | 0 | 0 | 112.7 | L809 D813 V817 H869 K873 V874 L875 | L809-V871 HydrophobicContact CD2-CG2 3.58Å; D813-V871 HydrophobicContact CB-CB 4.24Å; D813-V871 HydrophobicContact CB-CG1 4.41Å; D813-V871 HydrophobicContact CB-CG2 3.62Å; V817-V871 HydrophobicContact CG2-CG1 3.54Å; H869-V871 VanDerWaalsContact C-N 3.31Å; H869-V871 HydrophobicContact CB-CG2 4.46Å; H869-V871 PolarHBondContact O-N 3.44Å; V871-K873 VanDerWaalsContact C-N 3.33Å; V871-K873 PolarHBondContact O-N 3.41Å; V871-V874 PolarHBondContact O-N 3.48Å; V871-L875 HydrophobicContact CG1-CD1 4.01Å; V871-L875 HydrophobicContact CG1-CG 4.11Å; V871-L875 WeakPolarHBondContact O-CB 3.38Å; V871-L875 WeakPolarHBondContact O-CG 2.96Å; V871-L875 PolarHBondContact O-N 2.87Å |
| 872 | S | 95 | Very high | 94.7 | Very high | 71 Ų | 71 | 49.5 Ų | 49.5 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 174.9 | -173.7 | 0 | 0 | 0 | 0 | 111 | D870 Q876 | D870-S872 PolarHBondContact O-N 2.9Å; D870-S872 PolarHBondContact OD1-N 3.15Å; S872-Q876 VanDerWaalsContact O-CG 3.25Å; S872-Q876 WeakPolarHBondContact O-CG 3.49Å; S872-Q876 PolarHBondContact O-N 3.28Å; S872-Q876 PolarHBondContact OG-NE2 3.21Å |
| 873 | K | 96.5 | Very high | 94.2 | Very high | 109 Ų | 109 | 52.7 Ų | 52.7 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 174 | -72.4 | -174.7 | -171.9 | 127.4 | 0 | 112.5 | L843 D870 V871 L875 Q876 M877 | L843-K873 HydrophobicContact CD1-CB 4.2Å; L843-K873 HydrophobicContact CD1-CD 4.25Å; D870-K873 HydrophobicContact CB-CB 4.26Å; D870-K873 HydrophobicContact CB-CD 4.37Å; D870-K873 HydrophobicContact CB-CG 4.44Å; D870-K873 PolarHBondContact O-N 3.35Å; D870-K873 VanDerWaalsContact O-N 3.1Å; D870-K873 PolarHBondContact OD1-N 2.9Å; D870-K873 VanDerWaalsContact OD1-N 3.17Å; D870-K873 WeakPolarHBondContact OD2-CD 3.47Å; D870-K873 WeakPolarHBondContact OD2-CE 3.49Å; D870-K873 WeakPolarHBondContact OD2-CG 3.32Å; D870-K873 IonicContact OD2-NZ 3.61Å; D870-K873 PolarHBondContact OD2-NZ 3.4Å; V871-K873 VanDerWaalsContact C-N 3.33Å; V871-K873 PolarHBondContact O-N 3.41Å; K873-L875 VanDerWaalsContact C-N 3.34Å; K873-L875 PolarHBondContact O-N 3.19Å; K873-Q876 PolarHBondContact O-N 2.67Å; K873-M877 VanDerWaalsContact O-CG 3.32Å; K873-M877 WeakPolarHBondContact O-CG 3.4Å; K873-M877 PolarHBondContact O-N 3.18Å |
| 874 | V | 98.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.3 | -48.8 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | V836 L840 L843 D870 V871 Q876 M877 A878 | V836-V874 HydrophobicContact CG1-CG1 4.1Å; L840-V874 HydrophobicContact CB-CG1 4.22Å; L840-V874 HydrophobicContact CD1-CG2 3.97Å; L843-V874 HydrophobicContact CB-CG2 4.45Å; L843-V874 HydrophobicContact CD2-CG2 3.73Å; D870-V874 WeakPolarHBondContact O-CG2 3.4Å; D870-V874 PolarHBondContact O-N 3.31Å; V871-V874 PolarHBondContact O-N 3.48Å; V874-Q876 PolarHBondContact O-N 2.83Å; V874-M877 PolarHBondContact O-N 2.77Å; V874-A878 WeakPolarHBondContact O-CB 3.31Å; V874-A878 PolarHBondContact O-N 2.92Å |
| 875 | L | 96.7 | Very high | 93.3 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 179 | -68.6 | 179.8 | 0 | 0 | 0 | 112.1 | V817 T820 V836 V871 K873 A878 R879 | V817-L875 HydrophobicContact CG2-CD1 4.5Å; V817-L875 HydrophobicContact CG2-CD2 4.12Å; V817-L875 HydrophobicContact CG2-CG 4.44Å; T820-L875 HydrophobicContact CG2-CD2 4.08Å; V836-L875 HydrophobicContact CG2-CD2 4.21Å; V871-L875 HydrophobicContact CG1-CD1 4.01Å; V871-L875 HydrophobicContact CG1-CG 4.11Å; V871-L875 WeakPolarHBondContact O-CB 3.38Å; V871-L875 WeakPolarHBondContact O-CG 2.96Å; V871-L875 PolarHBondContact O-N 2.87Å; K873-L875 VanDerWaalsContact C-N 3.34Å; K873-L875 PolarHBondContact O-N 3.19Å; L875-A878 PolarHBondContact O-N 3.25Å; L875-R879 WeakPolarHBondContact O-CB 3.18Å; L875-R879 VanDerWaalsContact O-CG 3.29Å; L875-R879 WeakPolarHBondContact O-CG 3.2Å; L875-R879 PolarHBondContact O-N 2.98Å |
| 876 | Q | 94.3 | Very high | 92.8 | Very high | 111 Ų | 111 | 48.1 Ų | 48.1 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 172.9 | -74.2 | 173 | 39.8 | 0 | 0 | 112.1 | S872 K873 V874 R879 K880 | S872-Q876 VanDerWaalsContact O-CG 3.25Å; S872-Q876 WeakPolarHBondContact O-CG 3.49Å; S872-Q876 PolarHBondContact O-N 3.28Å; S872-Q876 PolarHBondContact OG-NE2 3.21Å; K873-Q876 PolarHBondContact O-N 2.67Å; V874-Q876 PolarHBondContact O-N 2.83Å; Q876-R879 PolarHBondContact O-N 3.46Å; Q876-K880 WeakPolarHBondContact O-CB 3.47Å; Q876-K880 PolarHBondContact O-N 2.87Å |
| 877 | M | 94.9 | Very high | 92.1 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 176.2 | -69.8 | 175.5 | 121.6 | 0 | 0 | 111.5 | Q842 L843 K873 V874 K880 M881 | Q842-M877 HydrophobicContact CB-CE 3.77Å; Q842-M877 HydrophobicContact CB-SD 4.15Å; L843-M877 HydrophobicContact CB-SD 4.3Å; K873-M877 VanDerWaalsContact O-CG 3.32Å; K873-M877 WeakPolarHBondContact O-CG 3.4Å; K873-M877 PolarHBondContact O-N 3.18Å; V874-M877 PolarHBondContact O-N 2.77Å; M877-K880 PolarHBondContact O-N 3.45Å; M877-M881 WeakPolarHBondContact O-CB 3.37Å; M877-M881 PolarHBondContact O-N 2.94Å |
| 878 | A | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | F832 F835 V836 V874 L875 M881 F882 | F832-A878 HydrophobicContact CE1-CB 4.31Å; F832-A878 HydrophobicContact CZ-CB 4.19Å; F835-A878 VanDerWaalsContact C-CB 3.5Å; F835-A878 HydrophobicContact CB-CB 3.93Å; F835-A878 WeakPolarHBondContact O-CA 3.45Å; F835-A878 VanDerWaalsContact O-CB 3.24Å; F835-A878 WeakPolarHBondContact O-CB 3.36Å; V836-A878 HydrophobicContact CG2-CB 4.41Å; V874-A878 WeakPolarHBondContact O-CB 3.31Å; V874-A878 PolarHBondContact O-N 2.92Å; L875-A878 PolarHBondContact O-N 3.25Å; A878-M881 PolarHBondContact O-N 2.95Å; A878-F882 PolarHBondContact O-N 3.22Å |
| 879 | R | 92.2 | Very high | 90.5 | Very high | 32 Ų | 32 | 47 Ų | 47 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -48.7 | 176.7 | -71.1 | -170.5 | -81.1 | -97.9 | -6.3 | 111.8 | Y480 V481 F832 L875 Q876 M881 F882 E883 | Y480-R879 HydrophobicContact CE1-CG 3.88Å; Y480-R879 HydrophobicContact CE2-CG 4.35Å; Y480-R879 PolarHBondContact O-NH1 3.01Å; Y480-R879 WeakPolarHBondContact OH-CG 3.27Å; V481-R879 PolarHBondContact O-NH1 3.4Å; F832-R879 HydrophobicContact CZ-CG 4.28Å; L875-R879 WeakPolarHBondContact O-CB 3.18Å; L875-R879 VanDerWaalsContact O-CG 3.29Å; L875-R879 WeakPolarHBondContact O-CG 3.2Å; L875-R879 PolarHBondContact O-N 2.98Å; Q876-R879 PolarHBondContact O-N 3.46Å; R879-M881 VanDerWaalsContact C-N 3.27Å; R879-M881 PolarHBondContact O-N 3.46Å; R879-F882 WeakPolarHBondContact O-CB 3.48Å; R879-F882 PolarHBondContact O-N 2.97Å; R879-F882 VanDerWaalsContact O-N 3.08Å; R879-E883 WeakPolarHBondContact O-CG 3.36Å; R879-E883 PolarHBondContact O-N 3.29Å |
| 880 | K | 90.5 | Very high | 89.3 | Confident | 130 Ų | 130 | 51.2 Ų | 51.2 | 57% | 0.565 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -59 | -38.9 | 177.5 | -176.1 | 178 | 178.8 | -178.6 | 0 | 112.3 | Q876 M877 E883 Q884 | Q876-K880 WeakPolarHBondContact O-CB 3.47Å; Q876-K880 PolarHBondContact O-N 2.87Å; M877-K880 PolarHBondContact O-N 3.45Å; K880-E883 PolarHBondContact O-N 3.33Å; K880-Q884 VanDerWaalsContact O-CG 3.32Å; K880-Q884 WeakPolarHBondContact O-CG 3.47Å; K880-Q884 PolarHBondContact O-N 3.44Å |
| 881 | M | 89.9 | Confident | 87.5 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 175 | 174 | 59.6 | 92 | 0 | 0 | 111.6 | L773 V777 F835 F838 M877 A878 R879 E883 Q884 L885 | L773-M881 HydrophobicContact CD1-CE 3.88Å; L773-M881 HydrophobicContact CD1-CG 4.23Å; L773-M881 HydrophobicContact CD1-SD 3.69Å; L773-M881 HydrophobicContact CD2-CE 4.08Å; L773-M881 HydrophobicContact CD2-CG 3.97Å; L773-M881 HydrophobicContact CD2-SD 4.37Å; L773-M881 HydrophobicContact CG-CE 3.76Å; L773-M881 HydrophobicContact CG-CG 4.43Å; L773-M881 HydrophobicContact CG-SD 4.19Å; V777-M881 HydrophobicContact CB-CE 3.6Å; V777-M881 HydrophobicContact CG1-CE 3.52Å; V777-M881 HydrophobicContact CG1-SD 4.49Å; V777-M881 HydrophobicContact CG2-CE 3.45Å; V777-M881 VanDerWaalsContact CG2-CE 3.45Å; V777-M881 HydrophobicContact CG2-SD 3.8Å; F835-M881 HydrophobicContact CD1-CB 4.12Å; F835-M881 HydrophobicContact CD1-CG 3.57Å; F835-M881 HydrophobicContact CE1-CG 3.95Å; F838-M881 HydrophobicContact CD1-CB 4.45Å; F838-M881 HydrophobicContact CD1-CE 3.38Å; F838-M881 HydrophobicContact CD1-CG 4.25Å; F838-M881 HydrophobicContact CD2-CE 4.1Å; F838-M881 HydrophobicContact CE1-CE 2.9Å; F838-M881 HydrophobicContact CE2-CE 3.69Å; F838-M881 HydrophobicContact CG-CE 3.95Å; F838-M881 HydrophobicContact CZ-CE 3.07Å; M877-M881 WeakPolarHBondContact O-CB 3.37Å; M877-M881 PolarHBondContact O-N 2.94Å; A878-M881 PolarHBondContact O-N 2.95Å; R879-M881 VanDerWaalsContact C-N 3.27Å; R879-M881 PolarHBondContact O-N 3.46Å; M881-E883 VanDerWaalsContact C-N 3.31Å; M881-E883 PolarHBondContact O-N 2.96Å; M881-Q884 PolarHBondContact O-N 3.16Å; M881-L885 PolarHBondContact O-N 2.72Å |
| 882 | F | 90.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57 | -45.8 | 174.8 | 176.8 | -85.2 | 0 | 0 | 0 | 111.3 | V436 Y443 L828 F832 F835 A878 R879 Q884 L885 F886 | V436-F882 HydrophobicContact CG1-CE2 4.31Å; V436-F882 HydrophobicContact CG1-CZ 4.17Å; V436-F882 HydrophobicContact CG2-CE2 4.11Å; Y443-F882 AromaticContact CD2-CE1 3.82Å; Y443-F882 HydrophobicContact CD2-CE1 3.82Å; Y443-F882 AromaticContact CE2-CD1 3.69Å; Y443-F882 HydrophobicContact CE2-CD1 3.69Å; Y443-F882 AromaticContact CE2-CE1 3.24Å; Y443-F882 HydrophobicContact CE2-CE1 3.24Å; Y443-F882 HydrophobicContact CE2-CZ 4.35Å; Y443-F882 AromaticContact CZ-CD1 3.79Å; Y443-F882 AromaticContact CZ-CE1 3.79Å; L828-F882 HydrophobicContact CB-CE1 4.38Å; L828-F882 HydrophobicContact CB-CE2 4.11Å; L828-F882 HydrophobicContact CB-CZ 3.78Å; L828-F882 WeakPolarHBondContact O-CE2 3.5Å; L828-F882 WeakPolarHBondContact O-CZ 3.44Å; F832-F882 HydrophobicContact CD2-CD2 4.38Å; F832-F882 HydrophobicContact CE2-CB 4.01Å; F832-F882 HydrophobicContact CE2-CD2 4.22Å; F832-F882 HydrophobicContact CE2-CG 4.21Å; F835-F882 HydrophobicContact CD1-CB 4.22Å; F835-F882 HydrophobicContact CD2-CD2 4.3Å; F835-F882 HydrophobicContact CE1-CB 4.23Å; F835-F882 HydrophobicContact CE1-CD2 4.48Å; F835-F882 AromaticContact CE2-CD2 3.77Å; F835-F882 HydrophobicContact CE2-CD2 3.77Å; F835-F882 HydrophobicContact CG-CB 4.4Å; F835-F882 HydrophobicContact CZ-CB 4.43Å; F835-F882 AromaticContact CZ-CD2 3.86Å; F835-F882 HydrophobicContact CZ-CD2 3.86Å; A878-F882 PolarHBondContact O-N 3.22Å; R879-F882 WeakPolarHBondContact O-CB 3.48Å; R879-F882 PolarHBondContact O-N 2.97Å; R879-F882 VanDerWaalsContact O-N 3.08Å; F882-Q884 PolarHBondContact O-N 3.36Å; F882-L885 PolarHBondContact O-N 3.4Å; F882-F886 HydrophobicContact CE1-CB 4.22Å; F882-F886 HydrophobicContact CE1-CD2 4.38Å; F882-F886 HydrophobicContact CZ-CD2 4.4Å; F882-F886 VanDerWaalsContact O-CB 3.3Å; F882-F886 WeakPolarHBondContact O-CB 3.47Å; F882-F886 PolarHBondContact O-N 2.98Å |
| 883 | E | 86.2 | Confident | 84.8 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 177 | -70.2 | 175.2 | -176.2 | 0 | 0 | 112.7 | Y443 R879 K880 M881 F886 T887 | Y443-E883 HydrophobicContact CE1-CG 3.65Å; Y443-E883 WeakPolarHBondContact OH-CG 3.41Å; R879-E883 WeakPolarHBondContact O-CG 3.36Å; R879-E883 PolarHBondContact O-N 3.29Å; K880-E883 PolarHBondContact O-N 3.33Å; M881-E883 VanDerWaalsContact C-N 3.31Å; M881-E883 PolarHBondContact O-N 2.96Å; E883-F886 PolarHBondContact O-N 3.5Å; E883-T887 WeakPolarHBondContact O-CB 3.41Å; E883-T887 PolarHBondContact O-N 2.99Å; E883-T887 PolarHBondContact O-OG1 3.28Å |
| 884 | Q | 84.5 | Confident | 84.2 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 177.3 | -74 | 177.6 | 1 | 0 | 0 | 111.1 | K880 M881 F882 T887 I888 | K880-Q884 VanDerWaalsContact O-CG 3.32Å; K880-Q884 WeakPolarHBondContact O-CG 3.47Å; K880-Q884 PolarHBondContact O-N 3.44Å; M881-Q884 PolarHBondContact O-N 3.16Å; F882-Q884 PolarHBondContact O-N 3.36Å; Q884-T887 PolarHBondContact O-N 3.38Å; Q884-I888 WeakPolarHBondContact O-CD1 3.47Å; Q884-I888 VanDerWaalsContact O-CG1 3.23Å; Q884-I888 WeakPolarHBondContact O-CG1 3.36Å; Q884-I888 PolarHBondContact O-N 3.33Å |
| 885 | L | 85.7 | Confident | 83.4 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 179 | -175.8 | 62.3 | 0 | 0 | 0 | 111.8 | I428 L432 L435 V436 F835 M881 F882 T887 I888 L889 | I428-L885 HydrophobicContact CG2-CD1 3.65Å; L432-L885 HydrophobicContact CB-CD1 4.01Å; L432-L885 HydrophobicContact CB-CD2 4.23Å; L432-L885 HydrophobicContact CD1-CD1 4.12Å; L435-L885 HydrophobicContact CB-CD2 4.33Å; L435-L885 HydrophobicContact CD1-CD2 4.37Å; V436-L885 HydrophobicContact CG2-CB 4.48Å; V436-L885 HydrophobicContact CG2-CD2 3.68Å; V436-L885 HydrophobicContact CG2-CG 3.87Å; F835-L885 HydrophobicContact CE1-CD2 3.96Å; F835-L885 HydrophobicContact CZ-CD2 3.83Å; M881-L885 PolarHBondContact O-N 2.72Å; F882-L885 PolarHBondContact O-N 3.4Å; L885-T887 VanDerWaalsContact C-N 3.33Å; L885-T887 PolarHBondContact O-N 3.18Å; L885-I888 PolarHBondContact O-N 3.35Å; L885-L889 HydrophobicContact CD1-CD1 4.05Å; L885-L889 HydrophobicContact CD1-CG 4.28Å; L885-L889 HydrophobicContact CG-CD1 3.91Å; L885-L889 WeakPolarHBondContact O-CB 3.43Å; L885-L889 WeakPolarHBondContact O-CG 3.36Å; L885-L889 PolarHBondContact O-N 3.28Å |
| 886 | F | 84.2 | Confident | 82.6 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 10% | 0.096 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 175.2 | -177.5 | -91.3 | 0 | 0 | 0 | 111.1 | V436 V440 Y443 F882 E883 I888 L889 K890 | V436-F886 HydrophobicContact CG1-CB 4.35Å; V436-F886 HydrophobicContact CG1-CD2 3.5Å; V436-F886 HydrophobicContact CG1-CE2 4.28Å; V436-F886 HydrophobicContact CG1-CG 4.39Å; V440-F886 HydrophobicContact CB-CE2 4.14Å; V440-F886 HydrophobicContact CB-CZ 4.49Å; V440-F886 WeakPolarHBondContact O-CZ 3.39Å; Y443-F886 HydrophobicContact CD1-CD1 4.45Å; Y443-F886 HydrophobicContact CG-CD1 4.39Å; Y443-F886 HydrophobicContact CG-CE1 4.31Å; F882-F886 HydrophobicContact CE1-CB 4.22Å; F882-F886 HydrophobicContact CE1-CD2 4.38Å; F882-F886 HydrophobicContact CZ-CD2 4.4Å; F882-F886 VanDerWaalsContact O-CB 3.3Å; F882-F886 WeakPolarHBondContact O-CB 3.47Å; F882-F886 PolarHBondContact O-N 2.98Å; E883-F886 PolarHBondContact O-N 3.5Å; F886-I888 VanDerWaalsContact C-N 3.33Å; F886-I888 PolarHBondContact O-N 2.79Å; F886-L889 PolarHBondContact O-N 3.36Å; F886-K890 PolarHBondContact O-N 3.46Å |
| 887 | T | 80.4 | Confident | 81.9 | Confident | 102 Ų | 102 | 71 Ų | 71 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.2 | -37.5 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | E883 Q884 L885 | E883-T887 WeakPolarHBondContact O-CB 3.41Å; E883-T887 PolarHBondContact O-N 2.99Å; E883-T887 PolarHBondContact O-OG1 3.28Å; Q884-T887 PolarHBondContact O-N 3.38Å; L885-T887 VanDerWaalsContact C-N 3.33Å; L885-T887 PolarHBondContact O-N 3.18Å |
| 888 | I | 77.2 | Confident | 81.1 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 32% | 0.323 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.1 | -34.3 | 178 | -65.9 | 162.7 | 0 | 0 | 0 | 111.7 | M425 I428 Q884 L885 F886 | M425-I888 HydrophobicContact CE-CG2 3.9Å; M425-I888 HydrophobicContact SD-CG2 3.88Å; I428-I888 HydrophobicContact CD1-CG2 3.89Å; I428-I888 HydrophobicContact CG2-CG2 3.85Å; Q884-I888 WeakPolarHBondContact O-CD1 3.47Å; Q884-I888 VanDerWaalsContact O-CG1 3.23Å; Q884-I888 WeakPolarHBondContact O-CG1 3.36Å; Q884-I888 PolarHBondContact O-N 3.33Å; L885-I888 PolarHBondContact O-N 3.35Å; F886-I888 VanDerWaalsContact C-N 3.33Å; F886-I888 PolarHBondContact O-N 2.79Å |
| 889 | L | 79.2 | Confident | 80 | Confident | 20 Ų | 20 | 76.3 Ų | 76.3 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -84 | -20.7 | -178.4 | -72 | 173.5 | 0 | 0 | 0 | 114 | I428 R429 K433 V436 L885 F886 | I428-L889 HydrophobicContact CG2-CD2 3.81Å; I428-L889 HydrophobicContact CG2-CG 4.18Å; R429-L889 HydrophobicContact CG-CD2 4.15Å; K433-L889 HydrophobicContact CB-CD2 4.19Å; V436-L889 HydrophobicContact CB-CD1 3.92Å; V436-L889 HydrophobicContact CG2-CD1 3.87Å; L885-L889 HydrophobicContact CD1-CD1 4.05Å; L885-L889 HydrophobicContact CD1-CG 4.28Å; L885-L889 HydrophobicContact CG-CD1 3.91Å; L885-L889 WeakPolarHBondContact O-CB 3.43Å; L885-L889 WeakPolarHBondContact O-CG 3.36Å; L885-L889 PolarHBondContact O-N 3.28Å; F886-L889 PolarHBondContact O-N 3.36Å |
| 890 | K | 70.4 | Confident | 79.1 | Confident | 100 Ų | 100 | 79.7 Ų | 79.7 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -53.9 | 124 | 178.9 | -166.2 | 172.3 | -176.4 | 173.7 | 0 | 110 | E444 F886 R892 | E444-K890 IonicContact OE2-NZ 2.91Å; F886-K890 PolarHBondContact O-N 3.46Å; K890-R892 PolarHBondContact O-N 3.08Å |
| 891 | P | 58.9 | Low | 78.1 | Confident | 113 Ų | 113 | 75.5 Ų | 75.5 | 73% | 0.734 | 36% | 0.359 | S | S | * | . | trans | -59.8 | 125.3 | 173.8 | 23.3 | -29.9 | 0 | 0 | 0 | 108.5 | ||||
| 892 | R | 51 | Low | 77.1 | Confident | 320 Ų | 320 | 81.7 Ų | 81.7 | 100% | 1.208 | 39% | 0.388 | S | S | * | . | trans | -83.9 | 0 | 171.5 | -82 | -169.1 | 179.5 | 179 | -0 | 110.9 | K890 | K890-R892 PolarHBondContact O-N 3.08Š|
Retrieved 892 of 892 residues in 1979.1 ms
(Link to these results)