| 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 | 66.6 | Low | 78.3 | Confident | 244 Ų | 244 | 113.6 Ų | 113.6 | 100% | 1.202 | 61% | 0.607 | S | S | * | * | 0 | 134.5 | 0 | -66.5 | 170.3 | 177.7 | 0 | 0 | 107.4 | |||||
| 2 | T | 66.9 | Low | 77.7 | Confident | 144 Ų | 144 | 109.8 Ų | 109.8 | 88% | 0.883 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 120.3 | 171.8 | 45.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 3 | I | 82 | Confident | 77.6 | Confident | 110 Ų | 110 | 109.3 Ų | 109.3 | 56% | 0.564 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 148 | 169.6 | 58.7 | 179.3 | 0 | 0 | 0 | 109.9 | Q7 A8 | I3-Q7 HydrophobicContact CB-CB 4.37Å; I3-A8 HydrophobicContact CD1-CB 3.82Å; I3-A8 HydrophobicContact CG1-CB 4.48Å |
| 4 | S | 84.9 | Confident | 77.8 | Confident | 61 Ų | 61 | 108.4 Ų | 108.4 | 43% | 0.427 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 154.3 | 168.3 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | E6 Q7 A8 | S4-E6 PolarHBondContact O-N 2.85Å; S4-Q7 WeakPolarHBondContact O-CB 3.47Å; S4-Q7 PolarHBondContact O-N 2.9Å; S4-A8 PolarHBondContact O-N 2.91Å |
| 5 | L | 82.7 | Confident | 77.1 | Confident | 129 Ų | 129 | 112.7 Ų | 112.7 | 68% | 0.675 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.4 | -39.3 | 173.5 | -174.3 | 147.5 | 0 | 0 | 0 | 111.2 | Q7 A8 L9 | L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-Q7 PolarHBondContact O-N 3.37Å; L5-A8 WeakPolarHBondContact O-CB 3.45Å; L5-A8 PolarHBondContact O-N 3.34Å; L5-L9 PolarHBondContact O-N 3.09Å |
| 6 | E | 86.5 | Confident | 76.6 | Confident | 123 Ų | 123 | 109.1 Ų | 109.1 | 58% | 0.575 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -55.6 | -44.9 | 172.2 | -57.4 | -56.4 | 148.1 | 0 | 0 | 112.1 | S4 L9 I10 | S4-E6 PolarHBondContact O-N 2.85Å; E6-L9 PolarHBondContact O-N 3.19Å; E6-I10 WeakPolarHBondContact O-CD1 3.15Å; E6-I10 VanDerWaalsContact O-CG1 3.29Å; E6-I10 WeakPolarHBondContact O-CG1 3.17Å; E6-I10 PolarHBondContact O-N 2.89Å |
| 7 | Q | 84.5 | Confident | 76.8 | Confident | 104 Ų | 104 | 109 Ų | 109 | 49% | 0.486 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.3 | -38.2 | 179.4 | -68.4 | 174 | -36.6 | 0 | 0 | 111.4 | I3 S4 L5 L9 I11 | I3-Q7 HydrophobicContact CB-CB 4.37Å; S4-Q7 WeakPolarHBondContact O-CB 3.47Å; S4-Q7 PolarHBondContact O-N 2.9Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-Q7 PolarHBondContact O-N 3.37Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; Q7-I11 WeakPolarHBondContact O-CB 3.23Å; Q7-I11 WeakPolarHBondContact O-CD1 3.46Å; Q7-I11 WeakPolarHBondContact O-CG1 3.48Å; Q7-I11 PolarHBondContact O-N 3.11Å |
| 8 | A | 74.7 | Confident | 76.6 | Confident | 42 Ų | 42 | 109.2 Ų | 109.2 | 35% | 0.347 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I3 S4 L5 I11 L12 | I3-A8 HydrophobicContact CD1-CB 3.82Å; I3-A8 HydrophobicContact CG1-CB 4.48Å; S4-A8 PolarHBondContact O-N 2.91Å; L5-A8 WeakPolarHBondContact O-CB 3.45Å; L5-A8 PolarHBondContact O-N 3.34Å; A8-I11 PolarHBondContact O-N 3.21Å; A8-L12 WeakPolarHBondContact O-CB 3.34Å; A8-L12 PolarHBondContact O-N 2.67Å |
| 9 | L | 75.7 | Confident | 76.1 | Confident | 93 Ų | 93 | 106.2 Ų | 106.2 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.6 | -47.4 | 178 | -168.7 | 151.5 | 0 | 0 | 0 | 111.5 | L5 E6 Q7 I11 L12 E13 | L5-L9 PolarHBondContact O-N 3.09Å; E6-L9 PolarHBondContact O-N 3.19Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; L9-I11 VanDerWaalsContact C-N 3.32Å; L9-I11 PolarHBondContact O-N 3.25Å; L9-L12 PolarHBondContact O-N 2.81Å; L9-L12 VanDerWaalsContact O-N 3.12Å; L9-E13 PolarHBondContact O-N 3.17Å |
| 10 | I | 83.1 | Confident | 75.9 | Confident | 106 Ų | 106 | 106.1 Ų | 106.1 | 54% | 0.544 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 175.9 | -67.3 | 163.5 | 0 | 0 | 0 | 111.4 | E6 L12 E13 H14 | E6-I10 WeakPolarHBondContact O-CD1 3.15Å; E6-I10 VanDerWaalsContact O-CG1 3.29Å; E6-I10 WeakPolarHBondContact O-CG1 3.17Å; E6-I10 PolarHBondContact O-N 2.89Å; I10-L12 VanDerWaalsContact C-N 3.35Å; I10-E13 PolarHBondContact O-N 3.47Å; I10-H14 WeakPolarHBondContact O-CB 3.25Å; I10-H14 PolarHBondContact O-N 2.79Å |
| 11 | I | 73.6 | Confident | 76 | Confident | 94 Ų | 94 | 103.4 Ų | 103.4 | 48% | 0.482 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 176 | -71.3 | 165.4 | 0 | 0 | 0 | 111 | Q7 A8 L9 R15 | Q7-I11 WeakPolarHBondContact O-CB 3.23Å; Q7-I11 WeakPolarHBondContact O-CD1 3.46Å; Q7-I11 WeakPolarHBondContact O-CG1 3.48Å; Q7-I11 PolarHBondContact O-N 3.11Å; A8-I11 PolarHBondContact O-N 3.21Å; L9-I11 VanDerWaalsContact C-N 3.32Å; L9-I11 PolarHBondContact O-N 3.25Å; I11-R15 WeakPolarHBondContact O-CB 3.29Å; I11-R15 WeakPolarHBondContact O-CG 3.35Å; I11-R15 PolarHBondContact O-N 2.88Å |
| 12 | L | 71.2 | Confident | 76.3 | Confident | 68 Ų | 68 | 97.1 Ų | 97.1 | 36% | 0.356 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -44.7 | 177.5 | 179.7 | 60.5 | 0 | 0 | 0 | 111.8 | A8 L9 I10 R15 Q16 V253 | A8-L12 WeakPolarHBondContact O-CB 3.34Å; A8-L12 PolarHBondContact O-N 2.67Å; L9-L12 PolarHBondContact O-N 2.81Å; L9-L12 VanDerWaalsContact O-N 3.12Å; I10-L12 VanDerWaalsContact C-N 3.35Å; L12-R15 WeakPolarHBondContact O-CB 3.43Å; L12-R15 PolarHBondContact O-N 3.06Å; L12-Q16 WeakPolarHBondContact O-CG 3.42Å; L12-Q16 PolarHBondContact O-N 3.38Å; L12-V253 HydrophobicContact CD1-CG2 4.14Å; L12-V253 HydrophobicContact CD2-CG2 4.18Å |
| 13 | E | 77 | Confident | 76.4 | Confident | 103 Ų | 103 | 91.4 Ų | 91.4 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 177.8 | -167.4 | -170 | 153.8 | 0 | 0 | 111.1 | L9 I10 R15 Q16 Q17 | L9-E13 PolarHBondContact O-N 3.17Å; I10-E13 PolarHBondContact O-N 3.47Å; E13-R15 VanDerWaalsContact C-N 3.28Å; E13-R15 PolarHBondContact O-N 3.03Å; E13-Q16 PolarHBondContact O-N 3.04Å; E13-Q17 WeakPolarHBondContact O-CG 3.43Å; E13-Q17 PolarHBondContact O-N 3.05Å; E13-Q17 PolarHBondContact OE1-NE2 2.6Å |
| 14 | H | 80.6 | Confident | 76.3 | Confident | 97 Ų | 97 | 91.2 Ų | 91.2 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 175.2 | 179.1 | -104.1 | 0 | 0 | 0 | 112 | I10 Q17 Q18 | I10-H14 WeakPolarHBondContact O-CB 3.25Å; I10-H14 PolarHBondContact O-N 2.79Å; H14-Q17 PolarHBondContact O-N 3.35Å; H14-Q18 PolarHBondContact NE2-NE2 3.15Å; H14-Q18 WeakPolarHBondContact O-CB 3.03Å; H14-Q18 WeakPolarHBondContact O-CG 3.34Å; H14-Q18 PolarHBondContact O-N 3.25Å |
| 15 | R | 66.2 | Low | 75.9 | Confident | 173 Ų | 173 | 94 Ų | 94 | 65% | 0.653 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | 173.1 | -75.7 | -84.6 | -170 | -178.7 | 2.3 | 112.5 | I11 L12 E13 M19 | I11-R15 WeakPolarHBondContact O-CB 3.29Å; I11-R15 WeakPolarHBondContact O-CG 3.35Å; I11-R15 PolarHBondContact O-N 2.88Å; L12-R15 WeakPolarHBondContact O-CB 3.43Å; L12-R15 PolarHBondContact O-N 3.06Å; E13-R15 VanDerWaalsContact C-N 3.28Å; E13-R15 PolarHBondContact O-N 3.03Å; R15-M19 WeakPolarHBondContact O-CB 3.45Å; R15-M19 PolarHBondContact O-N 3.46Å |
| 16 | Q | 69.6 | Low | 75.6 | Confident | 54 Ų | 54 | 90.9 Ų | 90.9 | 25% | 0.252 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | 177.1 | -64.2 | -63.9 | -39.1 | 0 | 0 | 111.6 | L12 E13 Q18 M19 L20 N255 | L12-Q16 WeakPolarHBondContact O-CG 3.42Å; L12-Q16 PolarHBondContact O-N 3.38Å; E13-Q16 PolarHBondContact O-N 3.04Å; Q16-Q18 PolarHBondContact O-N 3.31Å; Q16-M19 WeakPolarHBondContact O-CB 3.28Å; Q16-M19 PolarHBondContact O-N 2.68Å; Q16-L20 PolarHBondContact O-N 3.48Å; Q16-N255 PolarHBondContact OE1-ND2 3.41Å |
| 17 | Q | 79.6 | Confident | 75 | Confident | 108 Ų | 108 | 88 Ų | 88 | 51% | 0.505 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 176.3 | -68.3 | 177.9 | 6.6 | 0 | 0 | 111.9 | E13 H14 M19 L20 A21 | E13-Q17 WeakPolarHBondContact O-CG 3.43Å; E13-Q17 PolarHBondContact O-N 3.05Å; E13-Q17 PolarHBondContact OE1-NE2 2.6Å; H14-Q17 PolarHBondContact O-N 3.35Å; Q17-M19 VanDerWaalsContact C-N 3.33Å; Q17-M19 PolarHBondContact O-N 3.31Å; Q17-L20 PolarHBondContact O-N 3.47Å; Q17-A21 PolarHBondContact O-N 3.43Å |
| 18 | Q | 73 | Confident | 74.6 | Confident | 112 Ų | 112 | 89.3 Ų | 89.3 | 52% | 0.523 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 175.1 | -67.9 | -73.8 | -15.8 | 0 | 0 | 112.1 | H14 Q16 F22 | H14-Q18 PolarHBondContact NE2-NE2 3.15Å; H14-Q18 WeakPolarHBondContact O-CB 3.03Å; H14-Q18 WeakPolarHBondContact O-CG 3.34Å; H14-Q18 PolarHBondContact O-N 3.25Å; Q16-Q18 PolarHBondContact O-N 3.31Å; Q18-F22 WeakPolarHBondContact O-CB 3.33Å; Q18-F22 PolarHBondContact O-N 3.29Å; Q18-F22 VanDerWaalsContact O-N 3.08Å |
| 19 | M | 67.9 | Low | 74.7 | Confident | 53 Ų | 53 | 90 Ų | 90 | 26% | 0.261 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 175.4 | -168.9 | -170.5 | -53.2 | 0 | 0 | 111.7 | R15 Q16 Q17 F22 Q23 V247 | R15-M19 WeakPolarHBondContact O-CB 3.45Å; R15-M19 PolarHBondContact O-N 3.46Å; Q16-M19 WeakPolarHBondContact O-CB 3.28Å; Q16-M19 PolarHBondContact O-N 2.68Å; Q17-M19 VanDerWaalsContact C-N 3.33Å; Q17-M19 PolarHBondContact O-N 3.31Å; M19-F22 PolarHBondContact O-N 3.2Å; M19-Q23 WeakPolarHBondContact O-CG 3.32Å; M19-Q23 PolarHBondContact O-N 3.2Å; M19-V247 HydrophobicContact CE-CG2 4.5Å |
| 20 | L | 71.7 | Confident | 74.5 | Confident | 104 Ų | 104 | 87.8 Ų | 87.8 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 178.4 | -178.9 | 62.6 | 0 | 0 | 0 | 111.9 | Q16 Q17 F22 Q23 Q24 | Q16-L20 PolarHBondContact O-N 3.48Å; Q17-L20 PolarHBondContact O-N 3.47Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 3.29Å; L20-Q23 PolarHBondContact O-N 3.25Å; L20-Q24 WeakPolarHBondContact O-CG 3.44Å; L20-Q24 PolarHBondContact O-N 3.5Å |
| 21 | A | 78.5 | Confident | 74 | Confident | 49 Ų | 49 | 86 Ų | 86 | 41% | 0.405 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q17 Q24 Q25 | Q17-A21 PolarHBondContact O-N 3.43Å; A21-Q24 PolarHBondContact O-N 2.84Å; A21-Q25 WeakPolarHBondContact O-CB 3.24Å; A21-Q25 PolarHBondContact O-N 3.25Å |
| 22 | F | 72.6 | Confident | 73.9 | Confident | 113 Ų | 113 | 85.6 Ų | 85.6 | 50% | 0.496 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 174.9 | -179.8 | -100.2 | 0 | 0 | 0 | 112.8 | Q18 M19 L20 L26 | Q18-F22 WeakPolarHBondContact O-CB 3.33Å; Q18-F22 PolarHBondContact O-N 3.29Å; Q18-F22 VanDerWaalsContact O-N 3.08Å; M19-F22 PolarHBondContact O-N 3.2Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 3.29Å; F22-L26 VanDerWaalsContact O-CB 3.28Å; F22-L26 WeakPolarHBondContact O-CB 3.25Å; F22-L26 PolarHBondContact O-N 3.09Å |
| 23 | Q | 69.7 | Low | 73.8 | Confident | 24 Ų | 24 | 88.2 Ų | 88.2 | 11% | 0.112 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.1 | -68.8 | -61.9 | -48.7 | 0 | 0 | 111.7 | M19 L20 L26 I27 S243 | M19-Q23 WeakPolarHBondContact O-CG 3.32Å; M19-Q23 PolarHBondContact O-N 3.2Å; L20-Q23 PolarHBondContact O-N 3.25Å; Q23-L26 PolarHBondContact O-N 3.47Å; Q23-I27 WeakPolarHBondContact O-CD1 3.46Å; Q23-I27 VanDerWaalsContact O-CG1 3.29Å; Q23-I27 WeakPolarHBondContact O-CG1 3.49Å; Q23-I27 PolarHBondContact O-N 3.34Å; Q23-S243 VanDerWaalsContact OE1-CB 3.23Å; Q23-S243 PolarHBondContact OE1-OG 2.75Å |
| 24 | Q | 78.2 | Confident | 73.3 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.6 | -50.8 | 176.4 | -70.9 | 172.1 | -8.1 | 0 | 0 | 111.1 | L20 A21 L26 I27 E28 | L20-Q24 WeakPolarHBondContact O-CG 3.44Å; L20-Q24 PolarHBondContact O-N 3.5Å; A21-Q24 PolarHBondContact O-N 2.84Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.39Å; Q24-I27 PolarHBondContact O-N 3.27Å; Q24-I27 VanDerWaalsContact O-N 3.16Å; Q24-E28 WeakPolarHBondContact O-CG 2.98Å; Q24-E28 PolarHBondContact O-N 3.46Å |
| 25 | Q | 78.2 | Confident | 72.6 | Confident | 120 Ų | 120 | 92.2 Ų | 92.2 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.3 | -38.1 | 178.2 | -171.6 | -177.5 | 12.5 | 0 | 0 | 112.6 | A21 T29 | A21-Q25 WeakPolarHBondContact O-CB 3.24Å; A21-Q25 PolarHBondContact O-N 3.25Å; Q25-T29 VanDerWaalsContact O-CB 3.24Å; Q25-T29 WeakPolarHBondContact O-CB 2.99Å; Q25-T29 PolarHBondContact O-N 3.3Å; Q25-T29 PolarHBondContact O-OG1 2.99Å |
| 26 | L | 75 | Confident | 72.6 | Confident | 63 Ų | 63 | 88.7 Ų | 88.7 | 33% | 0.33 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 176 | -178.7 | 64.2 | 0 | 0 | 0 | 111.2 | F22 Q23 Q24 T29 V30 | F22-L26 VanDerWaalsContact O-CB 3.28Å; F22-L26 WeakPolarHBondContact O-CB 3.25Å; F22-L26 PolarHBondContact O-N 3.09Å; Q23-L26 PolarHBondContact O-N 3.47Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.39Å; L26-T29 PolarHBondContact O-N 3.18Å; L26-V30 WeakPolarHBondContact O-CB 3.42Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 3.36Å |
| 27 | I | 74.9 | Confident | 72.1 | Confident | 61 Ų | 61 | 91.2 Ų | 91.2 | 31% | 0.313 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.7 | -49.5 | 176.9 | -69.8 | 164.8 | 0 | 0 | 0 | 110.3 | Q23 Q24 T29 V30 L31 | Q23-I27 WeakPolarHBondContact O-CD1 3.46Å; Q23-I27 VanDerWaalsContact O-CG1 3.29Å; Q23-I27 WeakPolarHBondContact O-CG1 3.49Å; Q23-I27 PolarHBondContact O-N 3.34Å; Q24-I27 PolarHBondContact O-N 3.27Å; Q24-I27 VanDerWaalsContact O-N 3.16Å; I27-T29 PolarHBondContact O-N 3.44Å; I27-V30 PolarHBondContact O-N 3.39Å; I27-L31 HydrophobicContact CG2-CD1 3.6Å; I27-L31 HydrophobicContact CG2-CG 4.2Å; I27-L31 WeakPolarHBondContact O-CB 3.27Å; I27-L31 VanDerWaalsContact O-CG 3.25Å; I27-L31 WeakPolarHBondContact O-CG 3.26Å; I27-L31 PolarHBondContact O-N 3.33Å |
| 28 | E | 75.2 | Confident | 70.8 | Confident | 132 Ų | 132 | 88.6 Ų | 88.6 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -57.9 | -45.5 | 176.2 | -72.4 | 179.4 | 165.5 | 0 | 0 | 112.1 | Q24 V30 L31 D32 | Q24-E28 WeakPolarHBondContact O-CG 2.98Å; Q24-E28 PolarHBondContact O-N 3.46Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 2.9Å; E28-L31 PolarHBondContact O-N 3.4Å; E28-D32 VanDerWaalsContact O-CB 3.26Å; E28-D32 WeakPolarHBondContact O-CB 3.42Å; E28-D32 PolarHBondContact O-N 3.21Å |
| 29 | T | 76.6 | Confident | 69.8 | Low | 56 Ų | 56 | 87.6 Ų | 87.6 | 34% | 0.344 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.3 | -32.9 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | Q25 L26 I27 K33 | Q25-T29 VanDerWaalsContact O-CB 3.24Å; Q25-T29 WeakPolarHBondContact O-CB 2.99Å; Q25-T29 PolarHBondContact O-N 3.3Å; Q25-T29 PolarHBondContact O-OG1 2.99Å; L26-T29 PolarHBondContact O-N 3.18Å; I27-T29 PolarHBondContact O-N 3.44Å; T29-K33 HydrophobicContact CG2-CD 4.26Å; T29-K33 WeakPolarHBondContact O-CB 3.27Å; T29-K33 WeakPolarHBondContact O-CD 3.45Å; T29-K33 VanDerWaalsContact O-CG 3.28Å; T29-K33 WeakPolarHBondContact O-CG 3.28Å; T29-K33 PolarHBondContact O-N 3.19Å |
| 30 | V | 71.6 | Confident | 69.1 | Low | 48 Ų | 48 | 93.5 Ų | 93.5 | 29% | 0.291 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.7 | -51.9 | 174 | 166 | 0 | 0 | 0 | 0 | 109.8 | L26 I27 E28 D32 K33 F34 I241 | L26-V30 WeakPolarHBondContact O-CB 3.42Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 3.36Å; I27-V30 PolarHBondContact O-N 3.39Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 2.9Å; V30-D32 PolarHBondContact O-N 2.92Å; V30-K33 PolarHBondContact O-N 3.4Å; V30-F34 HydrophobicContact CG1-CD2 3.72Å; V30-F34 HydrophobicContact CG1-CE2 3.95Å; V30-F34 WeakPolarHBondContact O-CD2 3.25Å; V30-F34 PolarHBondContact O-N 3.48Å; V30-I241 HydrophobicContact CG1-CD1 4.47Å |
| 31 | L | 72.8 | Confident | 67.9 | Low | 69 Ų | 69 | 97 Ų | 97 | 36% | 0.361 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | -178.6 | -65.5 | 169.9 | 0 | 0 | 0 | 111.8 | I27 E28 K33 F34 F35 | I27-L31 HydrophobicContact CG2-CD1 3.6Å; I27-L31 HydrophobicContact CG2-CG 4.2Å; I27-L31 WeakPolarHBondContact O-CB 3.27Å; I27-L31 VanDerWaalsContact O-CG 3.25Å; I27-L31 WeakPolarHBondContact O-CG 3.26Å; I27-L31 PolarHBondContact O-N 3.33Å; E28-L31 PolarHBondContact O-N 3.4Å; L31-K33 PolarHBondContact O-N 3.25Å; L31-F34 PolarHBondContact O-N 2.84Å; L31-F35 HydrophobicContact CB-CD2 4.34Å; L31-F35 HydrophobicContact CD2-CD2 4.45Å; L31-F35 HydrophobicContact CD2-CE2 3.86Å; L31-F35 VanDerWaalsContact O-CD2 3.27Å; L31-F35 WeakPolarHBondContact O-CD2 3.32Å; L31-F35 PolarHBondContact O-N 2.74Å |
| 32 | D | 71.5 | Confident | 66.4 | Low | 85 Ų | 85 | 98.6 Ų | 98.6 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -52.1 | -52.2 | 174.1 | 171.5 | 70.4 | 0 | 0 | 0 | 111.3 | E28 V30 F34 N36 | E28-D32 VanDerWaalsContact O-CB 3.26Å; E28-D32 WeakPolarHBondContact O-CB 3.42Å; E28-D32 PolarHBondContact O-N 3.21Å; V30-D32 PolarHBondContact O-N 2.92Å; D32-F34 PolarHBondContact O-N 2.82Å; D32-N36 VanDerWaalsContact O-CB 3.25Å; D32-N36 WeakPolarHBondContact O-CB 3.14Å; D32-N36 PolarHBondContact O-N 2.6Å; D32-N36 PolarHBondContact OD1-ND2 3.33Å |
| 33 | K | 68.5 | Low | 65.3 | Low | 122 Ų | 122 | 100.1 Ų | 100.1 | 53% | 0.53 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.7 | -28.8 | -179.2 | -72 | 176.3 | -177.4 | 175.6 | 0 | 113.8 | T29 V30 L31 N37 | T29-K33 HydrophobicContact CG2-CD 4.26Å; T29-K33 WeakPolarHBondContact O-CB 3.27Å; T29-K33 WeakPolarHBondContact O-CD 3.45Å; T29-K33 VanDerWaalsContact O-CG 3.28Å; T29-K33 WeakPolarHBondContact O-CG 3.28Å; T29-K33 PolarHBondContact O-N 3.19Å; V30-K33 PolarHBondContact O-N 3.4Å; L31-K33 PolarHBondContact O-N 3.25Å; K33-N37 WeakPolarHBondContact O-CB 3.5Å; K33-N37 PolarHBondContact O-ND2 2.83Å |
| 34 | F | 66.8 | Low | 64.4 | Low | 133 Ų | 133 | 104.4 Ų | 104.4 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -78.9 | -42.8 | 176 | -88 | -76.6 | 0 | 0 | 0 | 112.3 | V30 L31 D32 | V30-F34 HydrophobicContact CG1-CD2 3.72Å; V30-F34 HydrophobicContact CG1-CE2 3.95Å; V30-F34 WeakPolarHBondContact O-CD2 3.25Å; V30-F34 PolarHBondContact O-N 3.48Å; L31-F34 PolarHBondContact O-N 2.84Å; D32-F34 PolarHBondContact O-N 2.82Å |
| 35 | F | 66.7 | Low | 62.9 | Low | 151 Ų | 151 | 105.6 Ų | 105.6 | 66% | 0.662 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -82.4 | -44.5 | -177.6 | -70.2 | -68.7 | 0 | 0 | 0 | 113.3 | L31 N37 G38 | L31-F35 HydrophobicContact CB-CD2 4.34Å; L31-F35 HydrophobicContact CD2-CD2 4.45Å; L31-F35 HydrophobicContact CD2-CE2 3.86Å; L31-F35 VanDerWaalsContact O-CD2 3.27Å; L31-F35 WeakPolarHBondContact O-CD2 3.32Å; L31-F35 PolarHBondContact O-N 2.74Å; F35-N37 PolarHBondContact O-N 3.19Å; F35-G38 PolarHBondContact O-N 3.44Å |
| 36 | N | 65.1 | Low | 61.2 | Low | 100 Ų | 100 | 109.4 Ų | 109.4 | 54% | 0.535 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -80.2 | -18.5 | -173.3 | -66.1 | -33.1 | 0 | 0 | 0 | 114 | D32 G38 | D32-N36 VanDerWaalsContact O-CB 3.25Å; D32-N36 WeakPolarHBondContact O-CB 3.14Å; D32-N36 PolarHBondContact O-N 2.6Å; D32-N36 PolarHBondContact OD1-ND2 3.33Å; N36-G38 VanDerWaalsContact C-N 3.35Å |
| 37 | N | 60.3 | Low | 60 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 57% | 0.572 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.7 | -25.4 | 168.4 | -76.3 | -42.9 | 0 | 0 | 0 | 112.8 | K33 F35 A39 K40 | K33-N37 WeakPolarHBondContact O-CB 3.5Å; K33-N37 PolarHBondContact O-ND2 2.83Å; F35-N37 PolarHBondContact O-N 3.19Å; N37-A39 VanDerWaalsContact C-N 3.3Å; N37-A39 PolarHBondContact O-N 3.29Å; N37-K40 PolarHBondContact O-N 2.93Å |
| 38 | G | 51.6 | Low | 58.3 | Low | 53 Ų | 53 | 122 Ų | 122 | 55% | 0.546 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.7 | -34.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | F35 N36 K40 | F35-G38 PolarHBondContact O-N 3.44Å; N36-G38 VanDerWaalsContact C-N 3.35Å; G38-K40 PolarHBondContact O-N 3.38Å |
| 39 | A | 52.5 | Low | 57.1 | Low | 90 Ų | 90 | 121.9 Ų | 121.9 | 74% | 0.744 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 3.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N37 | N37-A39 VanDerWaalsContact C-N 3.3Å; N37-A39 PolarHBondContact O-N 3.29Å |
| 40 | K | 52.8 | Low | 55.6 | Low | 178 Ų | 178 | 128.7 Ų | 128.7 | 77% | 0.774 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 8.8 | -173.7 | -126.3 | 175.4 | -173.7 | 175.3 | 0 | 115.4 | N37 G38 A42 | N37-K40 PolarHBondContact O-N 2.93Å; G38-K40 PolarHBondContact O-N 3.38Å; K40-A42 PolarHBondContact O-N 3.33Å |
| 41 | M | 47.8 | Very low | 54.2 | Low | 176 Ų | 176 | 129.2 Ų | 129.2 | 87% | 0.867 | 69% | 0.689 | S | S | * | * | trans | -66.6 | 101.5 | 162.3 | -72.4 | -165 | 177.6 | 0 | 0 | 109 | ||||
| 42 | A | 45.5 | Very low | 52.6 | Low | 84 Ų | 84 | 131.6 Ų | 131.6 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | trans | -62.1 | 142.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | K40 P44 | K40-A42 PolarHBondContact O-N 3.33Å; A42-P44 WeakPolarHBondContact O-CD 3.42Å | ||
| 43 | V | 50.4 | Low | 51.3 | Low | 145 Ų | 145 | 135.6 Ų | 135.6 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | trans | -80.1 | 110.4 | 166.8 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 44 | P | 50.2 | Low | 49.9 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -112 | 86.4 | -175.4 | 25.5 | -3.3 | 0 | 0 | 0 | 110 | A42 | A42-P44 WeakPolarHBondContact O-CD 3.42Š| ||
| 45 | E | 47.1 | Very low | 48.7 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | trans | 42.1 | 122.9 | 165.2 | -61 | -178 | 136.4 | 0 | 0 | 119.2 | R47 | E45-R47 VanDerWaalsContact C-N 3.32Å; E45-R47 PolarHBondContact O-N 3.42Å; E45-R47 IonicContact OE2-CZ 3.19Å; E45-R47 IonicContact OE2-NE 2.89Å; E45-R47 PolarHBondContact OE2-NE 2.91Å; E45-R47 IonicContact OE2-NH2 2.67Å; E45-R47 PolarHBondContact OE2-NH2 2.86Å | ||
| 46 | E | 41.7 | Very low | 47.6 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 94% | 0.935 | 76% | 0.76 | S | S | * | * | trans | -62.3 | 92.1 | 158.6 | -72 | -171.6 | 126.3 | 0 | 0 | 110.8 | Q48 | E46-Q48 PolarHBondContact O-N 2.86Š| ||
| 47 | R | 49.5 | Very low | 46.7 | Very low | 188 Ų | 188 | 139.7 Ų | 139.7 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | -74.6 | 106.8 | 168.3 | -65.3 | -63.8 | 179.1 | 118 | -7.9 | 108.6 | E45 V49 | E45-R47 VanDerWaalsContact C-N 3.32Å; E45-R47 PolarHBondContact O-N 3.42Å; E45-R47 IonicContact OE2-CZ 3.19Å; E45-R47 IonicContact OE2-NE 2.89Å; E45-R47 PolarHBondContact OE2-NE 2.91Å; E45-R47 IonicContact OE2-NH2 2.67Å; E45-R47 PolarHBondContact OE2-NH2 2.86Å; R47-V49 PolarHBondContact O-N 3.44Å | ||
| 48 | Q | 39.9 | Very low | 45.9 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 121.3 | 168.7 | -69.4 | -176.9 | -21.4 | 0 | 0 | 109.4 | E46 | E46-Q48 PolarHBondContact O-N 2.86Š|
| 49 | V | 50.3 | Low | 45.8 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 126.8 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 108.5 | R47 | R47-V49 PolarHBondContact O-N 3.44Š|
| 50 | E | 45.2 | Very low | 45.3 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 133.4 | -174.4 | -167.5 | 172.1 | 172.1 | 0 | 0 | 111.3 | ||
| 51 | G | 41.4 | Very low | 44.5 | Very low | 59 Ų | 59 | 144.9 Ų | 144.9 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | trans | 94.2 | 141.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 52 | S | 39.6 | Very low | 44.4 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | cis | -141.8 | 144 | 16.4 | -61.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 53 | I | 44.9 | Very low | 44.3 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 86% | 0.862 | 81% | 0.809 | S | S | * | * | trans | -122.1 | 117.8 | 157 | -64.2 | 171.5 | 0 | 0 | 0 | 105.5 | ||||
| 54 | P | 39.3 | Very low | 43.9 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 62% | 0.623 | 80% | 0.804 | S | S | * | * | -153.6 | 116.6 | 120.1 | 34 | -14.2 | 0 | 0 | 0 | 114.9 | |||||
| 55 | F | 41.5 | Very low | 43.4 | Very low | 220 Ų | 220 | 150.6 Ų | 150.6 | 97% | 0.965 | 81% | 0.812 | S | S | * | * | trans | -137.1 | 89.7 | 154.5 | -78.6 | -69.3 | 0 | 0 | 0 | 110.4 | ||||
| 56 | I | 42.1 | Very low | 43.2 | Very low | 156 Ų | 156 | 152.2 Ų | 152.2 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | trans | -121.3 | 115.7 | 169.6 | -56.3 | 175.1 | 0 | 0 | 0 | 106.8 | D58 | I56-D58 PolarHBondContact O-N 3Š| ||
| 57 | S | 48.3 | Very low | 43.2 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -90.9 | 87.3 | 178.4 | 48.1 | 0 | 0 | 0 | 0 | 111.1 | G59 | S57-G59 VanDerWaalsContact C-N 3.28Å; S57-G59 PolarHBondContact O-N 3.16Å | ||
| 58 | D | 41.5 | Very low | 42.9 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -77.6 | 71.9 | -175.7 | -143.7 | -20.3 | 0 | 0 | 0 | 112.6 | I56 K60 | I56-D58 PolarHBondContact O-N 3Å; D58-K60 PolarHBondContact O-N 3.31Å; D58-K60 VanDerWaalsContact O-N 3.09Å | ||
| 59 | G | 49.4 | Very low | 43.4 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -81.9 | 67.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S57 C61 | S57-G59 VanDerWaalsContact C-N 3.28Å; S57-G59 PolarHBondContact O-N 3.16Å; G59-C61 PolarHBondContact O-N 2.69Å | ||
| 60 | K | 42.3 | Very low | 43 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -70.8 | 101.2 | -170.1 | -174 | -176.9 | -175.5 | 174.3 | 0 | 115.1 | D58 | D58-K60 PolarHBondContact O-N 3.31Å; D58-K60 VanDerWaalsContact O-N 3.09Å | ||
| 61 | C | 37.4 | Very low | 42.9 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -134.7 | 151 | 160.9 | -159.1 | 0 | 0 | 0 | 0 | 112.1 | G59 | G59-C61 PolarHBondContact O-N 2.69Š| ||
| 62 | K | 44.2 | Very low | 43.1 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -135.3 | 164.3 | -176.3 | -72.1 | -170.6 | 176 | -174 | 0 | 111.3 | ||||
| 63 | I | 44.2 | Very low | 43.7 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 92% | 0.923 | 79% | 0.794 | S | S | * | * | trans | 89.5 | 129.5 | 168.7 | -54.9 | 163.3 | 0 | 0 | 0 | 114.1 | ||||
| 64 | G | 41.6 | Very low | 43.9 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 139.5 | 71.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 65 | K | 40.9 | Very low | 44.2 | Very low | 207 Ų | 207 | 142.9 Ų | 142.9 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | trans | -103.9 | 110.7 | 170.6 | -89.2 | -164.9 | 175.8 | -170.3 | 0 | 111.3 | ||||
| 66 | L | 41.4 | Very low | 44.5 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -153.4 | 125.8 | 147.9 | -67.8 | -177.8 | 0 | 0 | 0 | 104.7 | ||||
| 67 | A | 43.2 | Very low | 44.6 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | 63.5 | 115.9 | 53.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 68 | G | 42.6 | Very low | 44.5 | Very low | 62 Ų | 62 | 135.6 Ų | 135.6 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | cis | 176.2 | -162.1 | -2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 69 | S | 49.4 | Very low | 44.6 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | 68.1 | 155.6 | 171.8 | 70.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 70 | E | 42.8 | Very low | 44.7 | Very low | 151 Ų | 151 | 140 Ų | 140 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -176.6 | 147.1 | -25 | 175.9 | 159.1 | 165.3 | 0 | 0 | 110.2 | ||||
| 71 | Q | 43 | Very low | 44.8 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 62.2 | 159.3 | 165.4 | -73 | 164.9 | 18.1 | 0 | 0 | 117.6 | ||||
| 72 | D | 45.7 | Very low | 45.2 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | cis | -163 | 179.9 | -17.9 | -112.5 | -11.3 | 0 | 0 | 0 | 110.7 | ||||
| 73 | N | 53.2 | Low | 45.2 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | 87.3 | 144.6 | 160.1 | -49.1 | -74.7 | 0 | 0 | 0 | 117.8 | ||||
| 74 | I | 47.3 | Very low | 45.1 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | cis | -154.3 | 172.3 | -10.2 | -115.4 | 166 | 0 | 0 | 0 | 110.6 | ||||
| 75 | L | 47.4 | Very low | 45.4 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -70.4 | 169.5 | -167.1 | -102.8 | 66 | 0 | 0 | 0 | 119.3 | ||||
| 76 | P | 46.5 | Very low | 45.7 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -104.1 | -170.4 | -178.6 | 43.2 | -36 | 0 | 0 | 0 | 114.9 | ||||
| 77 | N | 43.9 | Very low | 45.9 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -159.7 | 169.6 | 178.2 | -161.8 | 37.1 | 0 | 0 | 0 | 112.4 | ||||
| 78 | A | 45.8 | Very low | 46.1 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 56% | 0.562 | 75% | 0.754 | S | S | * | * | -155.3 | 178.2 | -84.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 79 | H | 45.5 | Very low | 46.3 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 77.2 | 144.5 | 170.1 | -58.3 | -70.9 | 0 | 0 | 0 | 120.4 | ||||
| 80 | E | 50.6 | Low | 46.5 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | 93.5 | 140.8 | 13.8 | -171.6 | -178.2 | -131.9 | 0 | 0 | 115.5 | ||||
| 81 | T | 44.8 | Very low | 46.4 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -103.5 | -170.7 | -3.2 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 82 | V | 45.9 | Very low | 46.4 | Very low | 131 Ų | 131 | 138 Ų | 138 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | cis | 86.2 | 102.3 | 3.9 | -171.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 83 | T | 43.3 | Very low | 46.2 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | -167.3 | 165.2 | 145.3 | 17.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 84 | V | 41.5 | Very low | 45.9 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -141.1 | 147.6 | -172.4 | 171.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 85 | S | 48.5 | Very low | 46 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 168.6 | 170.7 | 149.5 | -88.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 86 | D | 48.2 | Very low | 45.9 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | -167.3 | 165.6 | -65.1 | -131.8 | -37.1 | 0 | 0 | 0 | 108.6 | |||||
| 87 | E | 45.4 | Very low | 45.8 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 39.1 | 132.1 | 163.4 | -49.6 | -172.5 | 158.8 | 0 | 0 | 121.2 | ||||
| 88 | Q | 47.6 | Very low | 45.9 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | -173.8 | 176.4 | 74.1 | -91.8 | -157.9 | 5 | 0 | 0 | 114.6 | |||||
| 89 | E | 46.8 | Very low | 45.7 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 71% | 0.71 | 78% | 0.777 | S | S | * | * | trans | -71.8 | 176.2 | 178.4 | -42.1 | -179.1 | 135.8 | 0 | 0 | 113.5 | ||||
| 90 | K | 53 | Low | 45.5 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 67% | 0.665 | 78% | 0.78 | S | S | * | * | cis | -176.7 | 171.4 | 43 | -148.5 | 170.6 | -176.6 | 62.5 | 0 | 114.2 | ||||
| 91 | E | 41.7 | Very low | 44.7 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -43.2 | 162.5 | -179.5 | -57 | 158.2 | 108.5 | 0 | 0 | 121.1 | ||||
| 92 | G | 41.7 | Very low | 44.4 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 136.5 | 138.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 93 | S | 42.7 | Very low | 43.9 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | cis | -147.7 | 160.1 | -6.5 | -177.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 94 | A | 45.5 | Very low | 43.4 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | trans | -74.2 | 165.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 95 | D | 48.8 | Very low | 43.2 | Very low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | -160.1 | 136.8 | 124.1 | -98.3 | -27.3 | 0 | 0 | 0 | 112 | |||||
| 96 | N | 46.2 | Very low | 42.6 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -110.3 | 161.7 | 169.8 | -83.3 | -43.8 | 0 | 0 | 0 | 108.7 | ||||
| 97 | P | 45.2 | Very low | 41.8 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | -149.4 | 141.5 | 111 | 33.7 | -16.1 | 0 | 0 | 0 | 117.5 | |||||
| 98 | L | 45.1 | Very low | 41.2 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 54.6 | 123.4 | 143.5 | -84 | 68.9 | 0 | 0 | 0 | 122.2 | ||||
| 99 | S | 41.3 | Very low | 41.1 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -68 | 173.6 | 152 | -38.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 100 | P | 42.5 | Very low | 40.7 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | -144.7 | 151.2 | 97.1 | 38.7 | -24.4 | 0 | 0 | 0 | 117.2 | |||||
| 101 | E | 32.5 | Very low | 40 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | 13 | 147.8 | 140.2 | -143.6 | 172.7 | 130.9 | 0 | 0 | 123.3 | ||||
| 102 | S | 38.4 | Very low | 39.7 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 111.6 | 137.1 | 142 | 73.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 103 | N | 36.3 | Very low | 39.4 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | trans | 16.5 | 136.3 | 162.7 | 61.6 | -16.9 | 0 | 0 | 0 | 125.7 | ||||
| 104 | E | 31.6 | Very low | 38.9 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 31.9 | 118.3 | 131.8 | -53.6 | -176.3 | 143.5 | 0 | 0 | 121.2 | ||||
| 105 | T | 37.3 | Very low | 38.3 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 35.4 | 122.6 | 126 | -55.6 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 106 | P | 37.5 | Very low | 37.4 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -151 | -157.8 | 42.6 | 28.8 | -0.6 | 0 | 0 | 0 | 116 | ||||
| 107 | L | 30.1 | Very low | 36.6 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 90.5 | 99.6 | 152.8 | -61.3 | 164.3 | 0 | 0 | 0 | 121 | ||||
| 108 | S | 33.5 | Very low | 36 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | 31.1 | 162.8 | 106.8 | -45.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 109 | P | 45.9 | Very low | 35.3 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | cis | -110.7 | -113.6 | -18.9 | 40.5 | -23.7 | 0 | 0 | 0 | 107.4 | ||||
| 110 | P | 38.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -91.4 | -160.1 | -26.3 | 29.7 | -8.8 | 0 | 0 | 0 | 109.8 | ||||
| 111 | I | 36.9 | Very low | 34.2 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | cis | -131 | 170.9 | 6.9 | -59.1 | 167.7 | 0 | 0 | 0 | 108.5 | ||||
| 112 | S | 35.9 | Very low | 34 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | -81.8 | 162.9 | -177.1 | 57.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 113 | D | 35.1 | Very low | 33.6 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -30 | 132.2 | 156.4 | -44.1 | -84.2 | 0 | 0 | 0 | 116.6 | ||||
| 114 | D | 33.7 | Very low | 33.2 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -156.6 | 113.6 | 131.5 | -108.3 | -27.7 | 0 | 0 | 0 | 106.8 | ||||
| 115 | K | 31.2 | Very low | 33.2 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | 76.1 | 50.5 | 69.8 | -170.7 | -142.9 | 172.3 | -175.6 | 0 | 113.9 | |||||
| 116 | L | 30.4 | Very low | 32.8 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -145.4 | 140.2 | 150.6 | -66.2 | 179.9 | 0 | 0 | 0 | 106.8 | ||||
| 117 | T | 30.6 | Very low | 32.5 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | cis | -152.2 | 163.3 | -20.8 | 35.1 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 118 | S | 30.9 | Very low | 32.7 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | 19.4 | 148.2 | 85.3 | 76.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 119 | E | 30.6 | Very low | 32.6 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | cis | -126.7 | 150 | 3.4 | -96.9 | 99.5 | 142.3 | 0 | 0 | 107.7 | N121 | E119-N121 PolarHBondContact O-N 2.95Å; E119-N121 VanDerWaalsContact O-N 3.12Å | ||
| 120 | Q | 32 | Very low | 32 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | 37.6 | 61.1 | 95.9 | -55.9 | -162.2 | -3.9 | 0 | 0 | 115.4 | Y122 | Q120-Y122 PolarHBondContact O-N 2.74Š| |||
| 121 | N | 28.8 | Very low | 31.5 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -67.7 | 100.7 | 159.6 | -90.9 | -47.3 | 0 | 0 | 0 | 110.4 | E119 | E119-N121 PolarHBondContact O-N 2.95Å; E119-N121 VanDerWaalsContact O-N 3.12Å | ||
| 122 | Y | 29.3 | Very low | 31.4 | Very low | 200 Ų | 200 | 144.7 Ų | 144.7 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 62.7 | 86.3 | 155 | -61.9 | -81.8 | 0 | 0 | 0 | 118.3 | Q120 L124 | Q120-Y122 PolarHBondContact O-N 2.74Å; Y122-L124 PolarHBondContact O-N 2.99Å |
| 123 | S | 29.4 | Very low | 31.2 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 30.5 | 90.5 | 127.2 | -55.5 | 0 | 0 | 0 | 0 | 117.8 | G125 | S123-G125 PolarHBondContact O-N 3.39Š| |||
| 124 | L | 28.2 | Very low | 31.1 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | trans | -64.4 | 120 | 146.7 | 179.8 | 71 | 0 | 0 | 0 | 108.3 | Y122 | Y122-L124 PolarHBondContact O-N 2.99Š| ||
| 125 | G | 31.1 | Very low | 31.1 | Very low | 65 Ų | 65 | 144.1 Ų | 144.1 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -174.7 | 122.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S123 | S123-G125 PolarHBondContact O-N 3.39Š| ||
| 126 | D | 30.1 | Very low | 31.4 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | cis | -157 | 164.4 | -14.1 | -150.7 | -21.9 | 0 | 0 | 0 | 108.6 | ||||
| 127 | V | 30.7 | Very low | 31.7 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | 68.5 | 136.4 | 179.6 | -170.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 128 | G | 33.6 | Very low | 31.6 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | trans | 158.7 | 91.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 129 | Q | 31 | Very low | 32.1 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -127.2 | 102.5 | -171.8 | -179.8 | -166.9 | -22.7 | 0 | 0 | 112.7 | ||||
| 130 | E | 33.2 | Very low | 32.2 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -156 | 107.1 | 158.5 | -110.6 | 167.1 | -161.1 | 0 | 0 | 108.7 | ||||
| 131 | N | 29.6 | Very low | 32.2 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | 79.7 | 53.7 | 75 | -166.2 | 39.8 | 0 | 0 | 0 | 115.4 | |||||
| 132 | W | 33.3 | Very low | 32.6 | Very low | 210 Ų | 210 | 137.6 Ų | 137.6 | 80% | 0.795 | 76% | 0.764 | S | S | * | * | trans | -96.3 | 110.8 | 159.3 | 159.5 | -100.5 | 0 | 0 | 0 | 110.2 | A135 | W132-A135 HydrophobicContact CH2-CB 3.73Å; W132-A135 HydrophobicContact CZ2-CB 3.42Å; W132-A135 VanDerWaalsContact CZ2-CB 3.42Å | ||
| 133 | K | 32.5 | Very low | 32.9 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | -117.9 | 161.7 | 160.9 | -68.2 | 176.6 | -178.9 | 171.2 | 0 | 107.7 | ||||
| 134 | N | 32.5 | Very low | 33.1 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | 82.3 | 80.8 | 169.7 | -41.5 | -32.1 | 0 | 0 | 0 | 116.6 | ||||
| 135 | A | 34.3 | Very low | 33.5 | Very low | 65 Ų | 65 | 126 Ų | 126 | 54% | 0.537 | 71% | 0.714 | S | S | . | * | trans | -147.2 | 158.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W132 | W132-A135 HydrophobicContact CH2-CB 3.73Å; W132-A135 HydrophobicContact CZ2-CB 3.42Å; W132-A135 VanDerWaalsContact CZ2-CB 3.42Å | ||
| 136 | C | 36.6 | Very low | 33.6 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | trans | 61.7 | 85 | 171.2 | -60.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 137 | P | 36.7 | Very low | 33.8 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | trans | -68.7 | 147.8 | 166.4 | 31.3 | -35 | 0 | 0 | 0 | 111.5 | N139 | P137-N139 PolarHBondContact O-N 3.08Š| ||
| 138 | G | 29.5 | Very low | 34 | Very low | 88 Ų | 88 | 126 Ų | 126 | 91% | 0.907 | 69% | 0.688 | S | S | * | * | trans | -69.3 | 122.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 139 | N | 40.8 | Very low | 34 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 58% | 0.578 | 68% | 0.676 | S | S | * | * | trans | -118.1 | 170.2 | 175.1 | 57.7 | 0.3 | 0 | 0 | 0 | 111.8 | P137 W141 | P137-N139 PolarHBondContact O-N 3.08Å; N139-W141 PolarHBondContact OD1-NE1 2.69Å | ||
| 140 | N | 31.8 | Very low | 34.1 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | trans | -99.3 | 99.5 | -175.1 | 177.8 | 0.1 | 0 | 0 | 0 | 111.1 | N142 N143 | N140-N142 VanDerWaalsContact C-N 3.29Å; N140-N142 PolarHBondContact O-N 3.01Å; N140-N142 PolarHBondContact OD1-N 3.21Å; N140-N143 PolarHBondContact O-N 3.37Å | ||
| 141 | W | 34 | Very low | 34 | Very low | 191 Ų | 191 | 115.6 Ų | 115.6 | 72% | 0.723 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.9 | -26.1 | -168.9 | -70.4 | 51.6 | 0 | 0 | 0 | 113.4 | N139 N143 T144 | N139-W141 PolarHBondContact OD1-NE1 2.69Å; W141-N143 PolarHBondContact O-N 2.92Å; W141-T144 PolarHBondContact O-N 3.41Å |
| 142 | N | 35.9 | Very low | 34.1 | Very low | 129 Ų | 129 | 114.9 Ų | 114.9 | 69% | 0.69 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.2 | -18.2 | 180 | -67.3 | 6.9 | 0 | 0 | 0 | 113.2 | N140 N146 | N140-N142 VanDerWaalsContact C-N 3.29Å; N140-N142 PolarHBondContact O-N 3.01Å; N140-N142 PolarHBondContact OD1-N 3.21Å; N142-N146 PolarHBondContact O-ND2 3Å |
| 143 | N | 35 | Very low | 34.2 | Very low | 88 Ų | 88 | 111.2 Ų | 111.2 | 47% | 0.471 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -87.9 | -39.1 | 176 | -163.2 | 3.3 | 0 | 0 | 0 | 111.8 | N140 W141 V145 N146 Q147 | N140-N143 PolarHBondContact O-N 3.37Å; W141-N143 PolarHBondContact O-N 2.92Å; N143-V145 PolarHBondContact O-N 3.44Å; N143-N146 PolarHBondContact O-N 3.08Å; N143-Q147 PolarHBondContact O-N 3.06Å; N143-Q147 PolarHBondContact OD1-NE2 2.87Å |
| 144 | T | 35.1 | Very low | 34.1 | Very low | 72 Ų | 72 | 112.4 Ų | 112.4 | 44% | 0.442 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61.4 | -46.6 | -175.8 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | W141 N146 Q147 I148 | W141-T144 PolarHBondContact O-N 3.41Å; T144-N146 VanDerWaalsContact C-N 3.35Å; T144-N146 PolarHBondContact O-N 3.39Å; T144-Q147 PolarHBondContact O-N 3.21Å; T144-I148 HydrophobicContact CG2-CD1 4.05Å; T144-I148 WeakPolarHBondContact O-CG1 3.44Å; T144-I148 PolarHBondContact O-N 3.07Å |
| 145 | V | 35.5 | Very low | 34.1 | Very low | 91 Ų | 91 | 111.7 Ų | 111.7 | 55% | 0.552 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -61 | -45.3 | 179.7 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | N143 Q147 I148 V149 | N143-V145 PolarHBondContact O-N 3.44Å; V145-Q147 VanDerWaalsContact C-N 3.27Å; V145-Q147 PolarHBondContact O-N 2.74Å; V145-I148 PolarHBondContact O-N 3.22Å; V145-V149 WeakPolarHBondContact O-CG2 3.14Å; V145-V149 PolarHBondContact O-N 2.91Å |
| 146 | N | 34.6 | Very low | 33.8 | Very low | 112 Ų | 112 | 117.2 Ų | 117.2 | 60% | 0.599 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69 | -19.5 | -177.9 | -74.8 | -50.8 | 0 | 0 | 0 | 114.2 | N142 N143 T144 P150 | N142-N146 PolarHBondContact O-ND2 3Å; N143-N146 PolarHBondContact O-N 3.08Å; T144-N146 VanDerWaalsContact C-N 3.35Å; T144-N146 PolarHBondContact O-N 3.39Å; N146-P150 WeakPolarHBondContact O-CD 2.97Å |
| 147 | Q | 34 | Very low | 33.4 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -91.9 | -24.4 | 174.2 | -71.1 | -158.8 | 83.8 | 0 | 0 | 114.1 | N143 T144 V145 N151 | N143-Q147 PolarHBondContact O-N 3.06Å; N143-Q147 PolarHBondContact OD1-NE2 2.87Å; T144-Q147 PolarHBondContact O-N 3.21Å; V145-Q147 VanDerWaalsContact C-N 3.27Å; V145-Q147 PolarHBondContact O-N 2.74Å; Q147-N151 WeakPolarHBondContact O-CB 3.34Å |
| 148 | I | 33.7 | Very low | 33 | Very low | 111 Ų | 111 | 117.1 Ų | 117.1 | 57% | 0.569 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.9 | -40 | 172.5 | -66.6 | 166.7 | 0 | 0 | 0 | 110.6 | T144 V145 N151 | T144-I148 HydrophobicContact CG2-CD1 4.05Å; T144-I148 WeakPolarHBondContact O-CG1 3.44Å; T144-I148 PolarHBondContact O-N 3.07Å; V145-I148 PolarHBondContact O-N 3.22Å; I148-N151 PolarHBondContact O-N 3.45Å |
| 149 | V | 35.2 | Very low | 33.1 | Very low | 93 Ų | 93 | 118.4 Ų | 118.4 | 56% | 0.564 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -56.4 | -48.1 | -174.6 | 165.3 | 0 | 0 | 0 | 0 | 115.1 | V145 | V145-V149 WeakPolarHBondContact O-CG2 3.14Å; V145-V149 PolarHBondContact O-N 2.91Å |
| 150 | P | 31.3 | Very low | 32.7 | Very low | 64 Ų | 64 | 121.3 Ų | 121.3 | 42% | 0.416 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -85.4 | -27.1 | -179.5 | 31.9 | -35.4 | 0 | 0 | 0 | 113.7 | N146 V152 I153 R154 | N146-P150 WeakPolarHBondContact O-CD 2.97Å; P150-V152 VanDerWaalsContact C-N 3.3Å; P150-V152 PolarHBondContact O-N 3.3Å; P150-I153 PolarHBondContact O-N 3.34Å; P150-R154 WeakPolarHBondContact O-CB 3.41Å; P150-R154 PolarHBondContact O-N 3.01Å |
| 151 | N | 31.5 | Very low | 32.7 | Very low | 80 Ų | 80 | 121.8 Ų | 121.8 | 43% | 0.428 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -79.8 | -10.2 | -165 | -144.6 | 50.1 | 0 | 0 | 0 | 114.2 | Q147 I148 R154 | Q147-N151 WeakPolarHBondContact O-CB 3.34Å; I148-N151 PolarHBondContact O-N 3.45Å; N151-R154 PolarHBondContact OD1-NH2 2.99Å |
| 152 | V | 33 | Very low | 32.5 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 70% | 0.703 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -26.7 | 166.5 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | P150 | P150-V152 VanDerWaalsContact C-N 3.3Å; P150-V152 PolarHBondContact O-N 3.3Å |
| 153 | I | 33.5 | Very low | 32.4 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 68% | 0.682 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -32 | -178.4 | -56.4 | 175.3 | 0 | 0 | 0 | 110.5 | P150 N155 | P150-I153 PolarHBondContact O-N 3.34Å; I153-N155 PolarHBondContact O-N 3.04Å; I153-N155 VanDerWaalsContact O-N 3.15Å |
| 154 | R | 31.8 | Very low | 32.3 | Very low | 183 Ų | 183 | 128 Ų | 128 | 69% | 0.691 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 40.3 | 177.8 | -159.8 | -166.3 | 57 | 165.2 | -8 | 113.5 | P150 N151 | P150-R154 WeakPolarHBondContact O-CB 3.41Å; P150-R154 PolarHBondContact O-N 3.01Å; N151-R154 PolarHBondContact OD1-NH2 2.99Å |
| 155 | N | 31.9 | Very low | 32.2 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 73% | 0.733 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 14.6 | 155.7 | -77 | -18 | 0 | 0 | 0 | 111.3 | I153 G157 | I153-N155 PolarHBondContact O-N 3.04Å; I153-N155 VanDerWaalsContact O-N 3.15Å; N155-G157 PolarHBondContact O-N 2.66Å; N155-G157 VanDerWaalsContact O-N 3.17Å |
| 156 | H | 27.5 | Very low | 32.3 | Very low | 182 Ų | 182 | 127 Ų | 127 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | trans | -82.7 | 82.1 | 171.2 | -158.7 | -67.9 | 0 | 0 | 0 | 109.7 | ||||
| 157 | G | 29 | Very low | 32.3 | Very low | 58 Ų | 58 | 132.2 Ų | 132.2 | 60% | 0.598 | 68% | 0.682 | S | S | * | * | trans | -144.5 | 106.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N155 | N155-G157 PolarHBondContact O-N 2.66Å; N155-G157 VanDerWaalsContact O-N 3.17Å | ||
| 158 | E | 29 | Very low | 32.5 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 86% | 0.855 | 68% | 0.682 | S | S | * | * | trans | 42.1 | 99.1 | 131.7 | -64.6 | 158.6 | -146.9 | 0 | 0 | 119.3 | ||||
| 159 | T | 30.5 | Very low | 32.9 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | -172.6 | 98.4 | 145.6 | -69.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 160 | E | 32.5 | Very low | 33.6 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | 61.2 | 100.3 | 73.7 | -60.8 | -134.8 | 137.8 | 0 | 0 | 115.4 | |||||
| 161 | V | 31.5 | Very low | 34.6 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | trans | 42.1 | 96.7 | 145 | -167.2 | 0 | 0 | 0 | 0 | 119 | N163 | V161-N163 HydrophobicContact CG1-CB 3.7Š| ||
| 162 | Y | 30.7 | Very low | 35.5 | Very low | 223 Ų | 223 | 140.5 Ų | 140.5 | 88% | 0.875 | 73% | 0.731 | S | S | * | * | trans | -97.4 | 83.5 | 151.2 | -75.5 | -75.9 | 0 | 0 | 0 | 111 | M164 | Y162-M164 PolarHBondContact O-N 3.16Š| ||
| 163 | N | 32.7 | Very low | 36.1 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 59% | 0.588 | 72% | 0.723 | S | S | * | * | trans | -78.5 | 104.1 | 178.2 | 174.7 | 29.5 | 0 | 0 | 0 | 111.8 | V161 G165 | V161-N163 HydrophobicContact CG1-CB 3.7Å; N163-G165 PolarHBondContact ND2-O 3.18Å; N163-G165 PolarHBondContact O-N 3.19Å; N163-G165 WeakPolarHBondContact OD1-CA 3.34Å; N163-G165 PolarHBondContact OD1-N 2.92Å; N163-G165 VanDerWaalsContact OD1-N 3.11Å | ||
| 164 | M | 34 | Very low | 36.6 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 100% | 1.005 | 73% | 0.729 | S | S | * | * | trans | -73.9 | 67.7 | 161.6 | -77.5 | -167.1 | -85.5 | 0 | 0 | 110.6 | Y162 | Y162-M164 PolarHBondContact O-N 3.16Š| ||
| 165 | G | 32.5 | Very low | 37.2 | Very low | 33 Ų | 33 | 139.2 Ų | 139.2 | 34% | 0.34 | 74% | 0.736 | S | S | . | * | S | Bend | trans | -173.3 | 62 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | N163 | N163-G165 PolarHBondContact ND2-O 3.18Å; N163-G165 PolarHBondContact O-N 3.19Å; N163-G165 WeakPolarHBondContact OD1-CA 3.34Å; N163-G165 PolarHBondContact OD1-N 2.92Å; N163-G165 VanDerWaalsContact OD1-N 3.11Å |
| 166 | S | 38 | Very low | 37.9 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | 83.1 | 126.4 | 156.9 | 81.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 167 | R | 34.9 | Very low | 38.5 | Very low | 221 Ų | 221 | 136.3 Ų | 136.3 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | 73.4 | 106.9 | 145.9 | -66.4 | -174.5 | 77.9 | 157.8 | -0.7 | 123.1 | ||||
| 168 | N | 38 | Very low | 39.7 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 60% | 0.599 | 75% | 0.745 | S | S | * | * | 89.9 | 107 | 127.7 | -71.2 | 75.6 | 0 | 0 | 0 | 122.7 | |||||
| 169 | D | 42.2 | Very low | 40.7 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | 85.2 | 118.8 | 125.5 | -48.1 | -23.2 | 0 | 0 | 0 | 125.2 | |||||
| 170 | A | 49.1 | Very low | 41.4 | Very low | 85 Ų | 85 | 146 Ų | 146 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | trans | 95.8 | 106.5 | 136.6 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 171 | H | 53.3 | Low | 42.6 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 83% | 0.833 | 75% | 0.747 | S | S | * | * | 54.5 | 159.5 | 127.1 | -63.6 | -64.5 | 0 | 0 | 0 | 123.7 | |||||
| 172 | N | 49.1 | Very low | 43.5 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | cis | 171 | 151.7 | -20.8 | -170.1 | 103.1 | 0 | 0 | 0 | 109.4 | ||||
| 173 | S | 47.3 | Very low | 44.5 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 53% | 0.531 | 75% | 0.747 | S | S | . | * | cis | -166.2 | 164.1 | -39.7 | 72.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 174 | D | 43.2 | Very low | 45.2 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 66.8 | -177.5 | 154.2 | -53.9 | -47.7 | 0 | 0 | 0 | 124.3 | ||||
| 175 | E | 45.3 | Very low | 45.7 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | 75.6 | 150.3 | -178.2 | -114 | -171.8 | -111.8 | 0 | 0 | 117.3 | ||||
| 176 | I | 46.5 | Very low | 46.4 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | cis | -143.4 | 170.2 | 8.5 | -22.5 | 168.9 | 0 | 0 | 0 | 111.1 | ||||
| 177 | S | 40 | Very low | 46.4 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -152.2 | 153.8 | 159.5 | 73.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 178 | Y | 54.4 | Low | 46.8 | Very low | 216 Ų | 216 | 143 Ų | 143 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | trans | -158 | 115.5 | 176.2 | -152 | -98.4 | 0 | 0 | 0 | 109.3 | ||||
| 179 | K | 48.2 | Very low | 47 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | 82.5 | 139.2 | 69.8 | -69.3 | -72.1 | -174.9 | -177.4 | 0 | 114.6 | |||||
| 180 | D | 45.9 | Very low | 46.9 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -141.5 | 152.6 | -169.3 | 178.4 | 28.1 | 0 | 0 | 0 | 110.3 | ||||
| 181 | E | 58.9 | Low | 46.5 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | trans | -150.3 | 96.9 | -175.3 | -164.9 | 166 | -160.8 | 0 | 0 | 111.4 | ||||
| 182 | K | 48.8 | Very low | 45.8 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 68% | 0.683 | 77% | 0.766 | S | S | * | * | 73 | 122.5 | 88.6 | -178.4 | -164.3 | 175.8 | -169 | 0 | 115.8 | |||||
| 183 | N | 51.3 | Low | 45.1 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | -138.9 | 139.3 | 151.2 | -88.8 | -63.9 | 0 | 0 | 0 | 108.6 | ||||
| 184 | K | 49 | Very low | 44.3 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | -119.3 | 146.6 | -171.5 | -149.1 | -111.5 | -177.3 | 174.1 | 0 | 109.3 | E187 | K184-E187 IonicContact NZ-OE1 2.6Å; K184-E187 PolarHBondContact NZ-OE1 2.71Å | ||
| 185 | P | 44.1 | Very low | 44 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | trans | -83.1 | 171.7 | -172.9 | 34.7 | -36.2 | 0 | 0 | 0 | 113.4 | ||||
| 186 | V | 47.8 | Very low | 43.3 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | -81.1 | 145.6 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 187 | E | 37.4 | Very low | 42.7 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -108.8 | -172.5 | -175 | -69.6 | 165.6 | 170.5 | 0 | 0 | 111.8 | K184 | K184-E187 IonicContact NZ-OE1 2.6Å; K184-E187 PolarHBondContact NZ-OE1 2.71Å | ||
| 188 | S | 43.4 | Very low | 42.4 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 85.3 | 146.4 | 166.6 | 78.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 189 | D | 41.3 | Very low | 41.1 | Very low | 167 Ų | 167 | 144.3 Ų | 144.3 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | cis | -166.1 | 157.5 | -33.9 | -100.9 | -43.3 | 0 | 0 | 0 | 107.4 | ||||
| 190 | G | 40.3 | Very low | 40.3 | Very low | 65 Ų | 65 | 142.2 Ų | 142.2 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | -179.6 | 97.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 191 | D | 40.6 | Very low | 39.6 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 46.7 | 94.4 | 156.8 | -53.2 | -24.5 | 0 | 0 | 0 | 117.9 | ||||
| 192 | Q | 39.9 | Very low | 38.4 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | 64.8 | 83.4 | 75.8 | -166.3 | -161.2 | -87.6 | 0 | 0 | 115 | |||||
| 193 | K | 33 | Very low | 37.5 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | -159.4 | 127 | 117.9 | -140 | -177.6 | 178.8 | -143.9 | 0 | 113.5 | D195 | K193-D195 WeakPolarHBondContact CD-OD2 3.49Å; K193-D195 VanDerWaalsContact CE-OD2 3.31Å; K193-D195 WeakPolarHBondContact CE-OD2 3.3Å; K193-D195 VanDerWaalsContact NZ-CG 3.31Å; K193-D195 IonicContact NZ-OD1 3.16Å; K193-D195 PolarHBondContact NZ-OD1 3.24Å; K193-D195 VanDerWaalsContact NZ-OD1 3.16Å; K193-D195 IonicContact NZ-OD2 2.66Å; K193-D195 PolarHBondContact NZ-OD2 2.66Å | |||
| 194 | S | 31.7 | Very low | 36.9 | Very low | 119 Ų | 119 | 132 Ų | 132 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -110.5 | 94.6 | 168.3 | 47.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 195 | D | 37 | Very low | 36.1 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 116.7 | 165.6 | -68.2 | -43.6 | 0 | 0 | 0 | 108.5 | K193 I197 | K193-D195 WeakPolarHBondContact CD-OD2 3.49Å; K193-D195 VanDerWaalsContact CE-OD2 3.31Å; K193-D195 WeakPolarHBondContact CE-OD2 3.3Å; K193-D195 VanDerWaalsContact NZ-CG 3.31Å; K193-D195 IonicContact NZ-OD1 3.16Å; K193-D195 PolarHBondContact NZ-OD1 3.24Å; K193-D195 VanDerWaalsContact NZ-OD1 3.16Å; K193-D195 IonicContact NZ-OD2 2.66Å; K193-D195 PolarHBondContact NZ-OD2 2.66Å; D195-I197 PolarHBondContact O-N 2.74Å |
| 196 | A | 29.8 | Very low | 35.6 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 119.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 197 | I | 33.8 | Very low | 34.8 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 133 | 161.4 | -61.6 | -178.4 | 0 | 0 | 0 | 107.3 | D195 | D195-I197 PolarHBondContact O-N 2.74Š|
| 198 | L | 34.2 | Very low | 34.5 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72 | 168.4 | -173.5 | -69.3 | 159.8 | 0 | 0 | 0 | 111.6 | D200 | L198-D200 PolarHBondContact O-N 3.48Š|
| 199 | L | 27.6 | Very low | 33.7 | Very low | 169 Ų | 169 | 137 Ų | 137 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 134.3 | 177.4 | -69 | 90.8 | 0 | 0 | 0 | 111.3 | ||
| 200 | D | 30.8 | Very low | 33.2 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -105.5 | 143 | 143.9 | -163.7 | -2.2 | 0 | 0 | 0 | 107.7 | L198 | L198-D200 PolarHBondContact O-N 3.48Š| ||
| 201 | A | 31.1 | Very low | 32.8 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | -98.4 | -9.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S203 | A201-S203 PolarHBondContact O-N 2.91Š| ||
| 202 | D | 33.5 | Very low | 32.3 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -91.1 | 62.6 | -163.8 | -71.2 | -3.4 | 0 | 0 | 0 | 113.1 | P204 | D202-P204 VanDerWaalsContact O-CD 3.22Å; D202-P204 WeakPolarHBondContact O-CD 3.4Å | ||
| 203 | S | 31.1 | Very low | 31.7 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -77.1 | 108.6 | 159.9 | -71.4 | 0 | 0 | 0 | 0 | 109.6 | A201 S205 | A201-S203 PolarHBondContact O-N 2.91Å; S203-S205 PolarHBondContact O-N 3.21Å | ||
| 204 | P | 37.2 | Very low | 31.8 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | trans | -73.1 | 117.9 | -174.7 | 29.7 | -34.6 | 0 | 0 | 0 | 110.5 | D202 Y206 | D202-P204 VanDerWaalsContact O-CD 3.22Å; D202-P204 WeakPolarHBondContact O-CD 3.4Å; P204-Y206 PolarHBondContact O-N 3.5Å | ||
| 205 | S | 31.7 | Very low | 31.9 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -58.7 | 118.5 | 159.8 | 55.1 | 0 | 0 | 0 | 0 | 108.5 | S203 L207 | S203-S205 PolarHBondContact O-N 3.21Å; S205-L207 PolarHBondContact O-N 2.98Å | ||
| 206 | Y | 35.3 | Very low | 31.5 | Very low | 221 Ų | 221 | 138.1 Ų | 138.1 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -62.3 | 104.9 | -179.7 | -82.7 | -85.1 | 0 | 0 | 0 | 110.8 | P204 I208 | P204-Y206 PolarHBondContact O-N 3.5Å; Y206-I208 PolarHBondContact O-N 3.03Å | ||
| 207 | L | 29.7 | Very low | 31.9 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -65.2 | 109.5 | -177.2 | -72.8 | 160.7 | 0 | 0 | 0 | 111.1 | S205 | S205-L207 PolarHBondContact O-N 2.98Š| ||
| 208 | I | 30.7 | Very low | 31.8 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -99.6 | 89.2 | 149.1 | -59.4 | -179.1 | 0 | 0 | 0 | 105.9 | Y206 | Y206-I208 PolarHBondContact O-N 3.03Š| ||
| 209 | S | 26.9 | Very low | 31.8 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -107.8 | 115.3 | -178.1 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 210 | S | 30.9 | Very low | 32 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -147 | 116.1 | 170.7 | -65.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 211 | N | 33.2 | Very low | 32.1 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 12.8 | 124.6 | 161.6 | 54.7 | -31.9 | 0 | 0 | 0 | 119.8 | ||||
| 212 | E | 29.9 | Very low | 32.4 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | cis | 83.9 | 133.8 | 44.2 | -170.1 | 177.4 | -167 | 0 | 0 | 114.1 | ||||
| 213 | N | 26.9 | Very low | 32.7 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 76.3 | 143.6 | -164.6 | 94.4 | 69.2 | 0 | 0 | 0 | 114.1 | ||||
| 214 | L | 35.7 | Very low | 32.8 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | cis | -124.5 | 125.8 | -4.9 | -78.5 | 166 | 0 | 0 | 0 | 108.5 | ||||
| 215 | N | 32.9 | Very low | 33.2 | Very low | 125 Ų | 125 | 143 Ų | 143 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | 79.1 | 99.5 | 83.3 | -163.7 | 100.5 | 0 | 0 | 0 | 114.9 | |||||
| 216 | E | 28.4 | Very low | 33.3 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 27.8 | 112.1 | 142 | -176.1 | -176.9 | -152 | 0 | 0 | 118.5 | ||||
| 217 | F | 38.3 | Very low | 33.7 | Very low | 215 Ų | 215 | 138.6 Ų | 138.6 | 94% | 0.943 | 76% | 0.762 | S | S | * | * | trans | -147.6 | 90.7 | 141.6 | -103.3 | -73 | 0 | 0 | 0 | 109.5 | ||||
| 218 | D | 31.6 | Very low | 34 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | -109.6 | 127.7 | 163.2 | -171.2 | 14.8 | 0 | 0 | 0 | 106.9 | ||||
| 219 | G | 34 | Very low | 34.4 | Very low | 66 Ų | 66 | 136.8 Ų | 136.8 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | trans | 154.5 | 113.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 220 | D | 31.6 | Very low | 34.8 | Very low | 162 Ų | 162 | 140 Ų | 140 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | -60.3 | 155.1 | 169.1 | -60.3 | -70.6 | 0 | 0 | 0 | 112.9 | ||||
| 221 | I | 34.2 | Very low | 34.9 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | -164.1 | 153.3 | 122.5 | -82.3 | -126.6 | 0 | 0 | 0 | 109.1 | |||||
| 222 | S | 37.4 | Very low | 35 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -57.1 | 169.8 | -179.3 | 59.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 223 | E | 39.1 | Very low | 34.9 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | cis | -155.3 | 170.6 | 23.4 | -153.2 | 165 | 158.1 | 0 | 0 | 113.8 | ||||
| 224 | N | 33.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | trans | -72.4 | -178.6 | 173.1 | -139.2 | 24.3 | 0 | 0 | 0 | 110.7 | N226 | N224-N226 PolarHBondContact ND2-OD1 3.03Š| ||
| 225 | P | 44.9 | Very low | 35.2 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | cis | -142.1 | 157.5 | 10 | 35.9 | -12.6 | 0 | 0 | 0 | 120.6 | ||||
| 226 | N | 34.5 | Very low | 35.5 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | trans | 41.7 | 123.1 | 135.2 | -46.4 | -4.1 | 0 | 0 | 0 | 121.8 | N224 | N224-N226 PolarHBondContact ND2-OD1 3.03Š| ||
| 227 | S | 44.5 | Very low | 36 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | -159.3 | 81 | 128 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | N229 | S227-N229 PolarHBondContact O-N 3.3Š| |||
| 228 | D | 35.1 | Very low | 36.3 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | 22.3 | 91.4 | 142.5 | -49.3 | -30.3 | 0 | 0 | 0 | 118.4 | ||||
| 229 | N | 38.6 | Very low | 36.4 | Very low | 138 Ų | 138 | 127 Ų | 127 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | -156.6 | 114.3 | 155.6 | -106.7 | -52.1 | 0 | 0 | 0 | 113.7 | S227 K231 | S227-N229 PolarHBondContact O-N 3.3Å; N229-K231 PolarHBondContact O-N 3.01Å | ||
| 230 | L | 35 | Very low | 36.7 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 86% | 0.864 | 69% | 0.687 | S | S | * | * | trans | 44.9 | 70.8 | 145.2 | -54.3 | 175.4 | 0 | 0 | 0 | 118 | ||||
| 231 | K | 34.2 | Very low | 36.6 | Very low | 197 Ų | 197 | 124 Ų | 124 | 86% | 0.857 | 66% | 0.658 | S | S | * | * | trans | -127.7 | 99.6 | 162 | -83.5 | -166.5 | 170.5 | -171.2 | 0 | 112.8 | N229 | N229-K231 PolarHBondContact O-N 3.01Š| ||
| 232 | S | 35.7 | Very low | 36.7 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | trans | -130.6 | 81.9 | 170.8 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 233 | N | 27.6 | Very low | 36.6 | Very low | 144 Ų | 144 | 115.7 Ų | 115.7 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | trans | 51.7 | 87.5 | 133.4 | -163.8 | 27.3 | 0 | 0 | 0 | 119 | ||||
| 234 | I | 34.9 | Very low | 36.4 | Very low | 147 Ų | 147 | 108.9 Ų | 108.9 | 75% | 0.754 | 58% | 0.581 | S | S | * | * | trans | -133.8 | 140.5 | 150.4 | -75.6 | 97.3 | 0 | 0 | 0 | 108.4 | ||||
| 235 | V | 34.3 | Very low | 36.5 | Very low | 78 Ų | 78 | 106.5 Ų | 106.5 | 47% | 0.473 | 57% | 0.565 | S | S | . | * | trans | -100.6 | 129.9 | 179.9 | 162.4 | 0 | 0 | 0 | 0 | 109.9 | H237 Y265 | V235-H237 WeakPolarHBondContact CG1-CE1 3.31Å; V235-Y265 HydrophobicContact CB-CE1 4.21Å; V235-Y265 HydrophobicContact CG1-CD1 3.89Å; V235-Y265 HydrophobicContact CG1-CE1 3.61Å; V235-Y265 HydrophobicContact CG2-CE1 4.37Å | ||
| 236 | H | 39.2 | Very low | 36.1 | Very low | 108 Ų | 108 | 105 Ų | 105 | 50% | 0.5 | 56% | 0.556 | S | S | . | * | trans | -86.9 | 159.1 | 175.5 | -98.4 | -99.2 | 0 | 0 | 0 | 111.9 | Y265 | H236-Y265 HydrophobicContact CB-CD2 3.7Å; H236-Y265 HydrophobicContact CB-CE2 3.32Å; H236-Y265 PolarHBondContact N-OH 3Å; H236-Y265 VanDerWaalsContact O-CD1 3.23Å; H236-Y265 WeakPolarHBondContact O-CD1 3.13Å; H236-Y265 VanDerWaalsContact O-CD2 3.29Å; H236-Y265 WeakPolarHBondContact O-CD2 3.47Å | ||
| 237 | H | 38.4 | Very low | 36.1 | Very low | 111 Ų | 111 | 101.6 Ų | 101.6 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | trans | -148.2 | 150.9 | -179.8 | -64.8 | -39.3 | 0 | 0 | 0 | 112.8 | V235 W263 | V235-H237 WeakPolarHBondContact CG1-CE1 3.31Å; H237-W263 HydrophobicContact CB-CH2 3.65Å; H237-W263 HydrophobicContact CB-CZ2 3.66Å; H237-W263 HydrophobicContact CB-CZ3 4.11Å; H237-W263 AromaticContact CD2-CH2 3.35Å; H237-W263 WeakPolarHBondContact CD2-CH2 3.5Å; H237-W263 AromaticContact CD2-CZ3 3.82Å; H237-W263 AromaticContact CE1-CH2 3.79Å; H237-W263 AromaticContact CE1-CZ3 3.42Å; H237-W263 VanDerWaalsContact CE1-CZ3 3.42Å; H237-W263 WeakPolarHBondContact CE1-CZ3 3.42Å; H237-W263 AromaticContact CG-CH2 3.26Å; H237-W263 AromaticContact CG-CZ2 3.85Å; H237-W263 AromaticContact CG-CZ3 3.51Å; H237-W263 AromaticContact ND1-CE3 3.89Å; H237-W263 AromaticContact ND1-CH2 3.56Å; H237-W263 AromaticContact ND1-CZ3 3.25Å; H237-W263 VanDerWaalsContact ND1-CZ3 3.25Å; H237-W263 WeakPolarHBondContact ND1-CZ3 3.29Å; H237-W263 AromaticContact NE2-CH2 3.68Å; H237-W263 AromaticContact NE2-CZ3 3.77Å | ||
| 238 | H | 43.6 | Very low | 35.7 | Very low | 140 Ų | 140 | 104.3 Ų | 104.3 | 65% | 0.648 | 54% | 0.54 | S | S | * | . | trans | -147.9 | 130.7 | 176 | -173.9 | -64.1 | 0 | 0 | 0 | 113.2 | W263 | H238-W263 PolarHBondContact O-NE1 3.39Š| ||
| 239 | L | 35.4 | Very low | 36 | Very low | 63 Ų | 63 | 104.4 Ų | 104.4 | 33% | 0.33 | 53% | 0.53 | S | S | . | . | trans | -103.8 | 155.6 | -169.2 | -166.9 | 68.6 | 0 | 0 | 0 | 115.4 | I241 V261 W263 | L239-I241 HydrophobicContact CD2-CD1 4.45Å; L239-V261 HydrophobicContact CD1-CG1 3.6Å; L239-W263 VanDerWaalsContact CD1-NE1 3.32Å | ||
| 240 | F | 38.4 | Very low | 36.1 | Very low | 113 Ų | 113 | 107.7 Ų | 107.7 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | trans | -147.7 | 164.4 | 172 | -153.9 | -91.1 | 0 | 0 | 0 | 109.9 | V261 F262 | F240-V261 WeakPolarHBondContact O-CA 3.31Å; F240-V261 WeakPolarHBondContact O-CB 3.35Å; F240-V261 VanDerWaalsContact O-CG1 3.32Å; F240-V261 WeakPolarHBondContact O-CG1 3.15Å; F240-V261 WeakPolarHBondContact O-CG2 3.38Å; F240-F262 HydrophobicContact CB-CB 3.72Å; F240-F262 HydrophobicContact CB-CD2 3.92Å; F240-F262 HydrophobicContact CB-CG 4.21Å; F240-F262 AromaticContact CD1-CD2 3.32Å; F240-F262 HydrophobicContact CD1-CD2 3.32Å; F240-F262 AromaticContact CD1-CE2 3.78Å; F240-F262 HydrophobicContact CD1-CE2 3.78Å; F240-F262 HydrophobicContact CD1-CG 4.26Å; F240-F262 HydrophobicContact CD2-CD2 4.18Å; F240-F262 AromaticContact CE1-CD2 3.75Å; F240-F262 HydrophobicContact CE1-CD2 3.75Å; F240-F262 AromaticContact CE1-CE2 3.75Å; F240-F262 HydrophobicContact CE1-CE2 3.75Å; F240-F262 HydrophobicContact CG-CB 4.32Å; F240-F262 AromaticContact CG-CD2 3.56Å; F240-F262 HydrophobicContact CG-CD2 3.56Å; F240-F262 HydrophobicContact CG-CE2 4.4Å; F240-F262 HydrophobicContact CG-CG 4.34Å; F240-F262 HydrophobicContact CZ-CD2 4.34Å; F240-F262 HydrophobicContact CZ-CE2 4.34Å; F240-F262 PolarHBondContact N-O 3.12Å | ||
| 241 | I | 31.4 | Very low | 36.4 | Very low | 51 Ų | 51 | 108 Ų | 108 | 26% | 0.262 | 54% | 0.536 | S | S | . | . | trans | -159.5 | 155.7 | -174.4 | -44.5 | 177.1 | 0 | 0 | 0 | 112.3 | V30 L239 L259 I260 V261 | V30-I241 HydrophobicContact CG1-CD1 4.47Å; L239-I241 HydrophobicContact CD2-CD1 4.45Å; I241-L259 HydrophobicContact CG2-CD1 4.06Å; I241-L259 HydrophobicContact CG2-CD2 4.37Å; I241-L259 HydrophobicContact CG2-CG 4.11Å; I241-I260 CarbonylContact C-O 3.47Å; I241-I260 WeakPolarHBondContact CA-O 3.45Å; I241-V261 HydrophobicContact CB-CG2 4.29Å; I241-V261 HydrophobicContact CG1-CG2 4.29Å; I241-V261 HydrophobicContact CG2-CG2 4.15Å | ||
| 242 | S | 36.3 | Very low | 36.5 | Very low | 66 Ų | 66 | 107.3 Ų | 107.3 | 46% | 0.462 | 53% | 0.529 | S | S | . | . | trans | -167.3 | 33.7 | 163.8 | -137.9 | 0 | 0 | 0 | 0 | 123.1 | I258 L259 | S242-I258 CarbonylContact C-O 3.3Å; S242-I258 VanDerWaalsContact C-O 3.3Å; S242-I258 WeakPolarHBondContact CB-O 3.43Å; S242-I258 CarbonylContact O-C 3.07Å; S242-L259 VanDerWaalsContact C-CA 3.47Å | ||
| 243 | S | 33.5 | Very low | 36.4 | Very low | 16 Ų | 16 | 103.9 Ų | 103.9 | 11% | 0.112 | 50% | 0.503 | C | S | . | . | trans | 44.1 | 110.8 | 172.9 | -70 | 0 | 0 | 0 | 0 | 123.1 | Q23 V257 I258 L259 | Q23-S243 VanDerWaalsContact OE1-CB 3.23Å; Q23-S243 PolarHBondContact OE1-OG 2.75Å; S243-V257 CarbonylContact O-C 2.99Å; S243-V257 WeakPolarHBondContact O-CB 3.17Å; S243-V257 VanDerWaalsContact O-CG1 3.26Å; S243-V257 WeakPolarHBondContact O-CG1 3.34Å; S243-I258 CarbonylContact O-C 3.58Å; S243-I258 WeakPolarHBondContact O-CA 3.17Å; S243-I258 PolarHBondContact O-N 3.01Å; S243-L259 VanDerWaalsContact CA-CB 3.4Å; S243-L259 VanDerWaalsContact N-CB 3.25Å | ||
| 244 | R | 34.7 | Very low | 36.5 | Very low | 40 Ų | 40 | 103.4 Ų | 103.4 | 15% | 0.151 | 50% | 0.5 | C | S | . | . | trans | -112.7 | 136.6 | 171.7 | -175.3 | 136.1 | -90.1 | -148.1 | -1 | 113.7 | E256 V257 | R244-E256 IonicContact CZ-OE1 3.25Å; R244-E256 VanDerWaalsContact CZ-OE1 3.25Å; R244-E256 IonicContact CZ-OE2 3.31Å; R244-E256 VanDerWaalsContact CZ-OE2 3.31Å; R244-E256 IonicContact NH1-OE1 2.66Å; R244-E256 PolarHBondContact NH1-OE1 2.98Å; R244-E256 IonicContact NH1-OE2 3.24Å; R244-E256 PolarHBondContact NH1-OE2 3.48Å; R244-E256 PolarHBondContact NH2-O 3.45Å; R244-E256 IonicContact NH2-OE1 3.51Å; R244-E256 IonicContact NH2-OE2 2.71Å; R244-E256 PolarHBondContact NH2-OE2 3.2Å; R244-V257 WeakPolarHBondContact CA-O 3.41Å; R244-V257 WeakPolarHBondContact CB-O 3.46Å; R244-V257 VanDerWaalsContact CG-O 3.31Å; R244-V257 WeakPolarHBondContact CG-O 3.4Å; R244-V257 PolarHBondContact NE-O 3Å; R244-V257 PolarHBondContact NH2-O 2.91Å | ||
| 245 | F | 37.1 | Very low | 36.7 | Very low | 74 Ų | 74 | 99.8 Ų | 99.8 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | trans | -142.8 | 160 | 159.3 | -127.1 | -101.6 | 0 | 0 | 0 | 112.7 | V247 E256 I291 | F245-V247 HydrophobicContact CD1-CG2 3.67Å; F245-V247 HydrophobicContact CE1-CG2 3.97Å; F245-E256 WeakPolarHBondContact O-CA 3.15Å; F245-I291 HydrophobicContact CD2-CB 3.77Å; F245-I291 HydrophobicContact CD2-CG2 4.1Å; F245-I291 VanDerWaalsContact CE2-C 3.45Å; F245-I291 HydrophobicContact CE2-CB 3.57Å; F245-I291 HydrophobicContact CE2-CG2 3.71Å; F245-I291 VanDerWaalsContact CE2-O 3.3Å; F245-I291 WeakPolarHBondContact CE2-O 3.29Å | ||
| 246 | C | 34.9 | Very low | 36.8 | Very low | 69 Ų | 69 | 100.6 Ų | 100.6 | 47% | 0.466 | 48% | 0.481 | S | S | . | . | trans | -144.1 | 120.7 | 168.2 | -45.7 | 0 | 0 | 0 | 0 | 108.7 | E256 | C246-E256 HydrophobicContact CB-CG 4.48Å; C246-E256 VanDerWaalsContact SG-CG 3.55Å | ||
| 247 | V | 35.8 | Very low | 36.7 | Very low | 47 Ų | 47 | 99.6 Ų | 99.6 | 29% | 0.285 | 48% | 0.482 | S | S | . | . | trans | -128.3 | 103.1 | 174.5 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | M19 F245 Y249 V253 | M19-V247 HydrophobicContact CE-CG2 4.5Å; F245-V247 HydrophobicContact CD1-CG2 3.67Å; F245-V247 HydrophobicContact CE1-CG2 3.97Å; V247-Y249 HydrophobicContact CG1-CD2 4.06Å; V247-Y249 HydrophobicContact CG1-CE2 3.63Å; V247-V253 WeakPolarHBondContact O-CG1 3.48Å | ||
| 248 | Q | 36.1 | Very low | 36.9 | Very low | 170 Ų | 170 | 97.4 Ų | 97.4 | 79% | 0.794 | 47% | 0.473 | S | S | * | . | trans | -87.5 | 121.8 | -177.7 | -167.8 | 174.7 | 12.5 | 0 | 0 | 110.5 | ||||
| 249 | Y | 41.2 | Very low | 36.9 | Very low | 148 Ų | 148 | 91.5 Ų | 91.5 | 58% | 0.58 | 45% | 0.446 | S | S | * | . | trans | -109.8 | 151.1 | 166.9 | -79.7 | -83.7 | 0 | 0 | 0 | 110.1 | V247 K251 Y252 V253 | V247-Y249 HydrophobicContact CG1-CD2 4.06Å; V247-Y249 HydrophobicContact CG1-CE2 3.63Å; Y249-K251 PolarHBondContact O-N 2.79Å; Y249-Y252 CarbonylContact C-O 3.53Å; Y249-Y252 WeakPolarHBondContact CB-O 3.26Å; Y249-Y252 PolarHBondContact N-O 2.95Å; Y249-V253 HydrophobicContact CD2-CB 4.46Å; Y249-V253 HydrophobicContact CD2-CG2 4.3Å | ||
| 250 | E | 39.6 | Very low | 37.2 | Very low | 207 Ų | 207 | 89.6 Ų | 89.6 | 97% | 0.967 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -69 | 14.9 | -166.3 | -151.8 | 178.5 | 173.8 | 0 | 0 | 115.6 | ||
| 251 | K | 41.3 | Very low | 37.3 | Very low | 172 Ų | 172 | 85.5 Ų | 85.5 | 75% | 0.748 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -157.1 | -20.6 | 177 | -153.3 | 163.1 | -175.6 | 171.9 | 0 | 115.5 | Y249 | Y249-K251 PolarHBondContact O-N 2.79Š|
| 252 | Y | 37.6 | Very low | 37.4 | Very low | 181 Ų | 181 | 86.2 Ų | 86.2 | 71% | 0.71 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -152.2 | 173.6 | 179.4 | -63.2 | -75.3 | 0 | 0 | 0 | 109.4 | Y249 | Y249-Y252 CarbonylContact C-O 3.53Å; Y249-Y252 WeakPolarHBondContact CB-O 3.26Å; Y249-Y252 PolarHBondContact N-O 2.95Å |
| 253 | V | 33.8 | Very low | 37.5 | Very low | 36 Ų | 36 | 88.4 Ų | 88.4 | 22% | 0.218 | 42% | 0.42 | C | S | . | . | trans | 75.5 | 101.1 | 179 | -161.5 | 0 | 0 | 0 | 0 | 114.9 | L12 V247 Y249 | L12-V253 HydrophobicContact CD1-CG2 4.14Å; L12-V253 HydrophobicContact CD2-CG2 4.18Å; V247-V253 WeakPolarHBondContact O-CG1 3.48Å; Y249-V253 HydrophobicContact CD2-CB 4.46Å; Y249-V253 HydrophobicContact CD2-CG2 4.3Å | ||
| 254 | L | 29.9 | Very low | 37.6 | Very low | 134 Ų | 134 | 94 Ų | 94 | 70% | 0.702 | 44% | 0.439 | S | S | * | . | -115.7 | 119.8 | 128.5 | -74.4 | 172.8 | 0 | 0 | 0 | 106.6 | |||||
| 255 | N | 39 | Very low | 37.4 | Very low | 72 Ų | 72 | 96 Ų | 96 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | trans | -111.9 | 128.6 | 158.4 | -166.8 | -0.6 | 0 | 0 | 0 | 105.8 | Q16 | Q16-N255 PolarHBondContact OE1-ND2 3.41Š| ||
| 256 | E | 36 | Very low | 37.4 | Very low | 94 Ų | 94 | 100.4 Ų | 100.4 | 44% | 0.439 | 47% | 0.469 | S | S | . | . | trans | -149.6 | 44.7 | -157.3 | -135.5 | -135.8 | -177.6 | 0 | 0 | 117 | R244 F245 C246 | R244-E256 IonicContact CZ-OE1 3.25Å; R244-E256 VanDerWaalsContact CZ-OE1 3.25Å; R244-E256 IonicContact CZ-OE2 3.31Å; R244-E256 VanDerWaalsContact CZ-OE2 3.31Å; R244-E256 IonicContact NH1-OE1 2.66Å; R244-E256 PolarHBondContact NH1-OE1 2.98Å; R244-E256 IonicContact NH1-OE2 3.24Å; R244-E256 PolarHBondContact NH1-OE2 3.48Å; R244-E256 PolarHBondContact NH2-O 3.45Å; R244-E256 IonicContact NH2-OE1 3.51Å; R244-E256 IonicContact NH2-OE2 2.71Å; R244-E256 PolarHBondContact NH2-OE2 3.2Å; F245-E256 WeakPolarHBondContact O-CA 3.15Å; C246-E256 HydrophobicContact CB-CG 4.48Å; C246-E256 VanDerWaalsContact SG-CG 3.55Å | ||
| 257 | V | 36.8 | Very low | 37.4 | Very low | 88 Ų | 88 | 100 Ų | 100 | 53% | 0.533 | 46% | 0.462 | S | S | . | . | trans | -59.9 | 171.9 | 171.4 | -164.2 | 0 | 0 | 0 | 0 | 111.2 | S243 R244 | S243-V257 CarbonylContact O-C 2.99Å; S243-V257 WeakPolarHBondContact O-CB 3.17Å; S243-V257 VanDerWaalsContact O-CG1 3.26Å; S243-V257 WeakPolarHBondContact O-CG1 3.34Å; R244-V257 WeakPolarHBondContact CA-O 3.41Å; R244-V257 WeakPolarHBondContact CB-O 3.46Å; R244-V257 VanDerWaalsContact CG-O 3.31Å; R244-V257 WeakPolarHBondContact CG-O 3.4Å; R244-V257 PolarHBondContact NE-O 3Å; R244-V257 PolarHBondContact NH2-O 2.91Å | ||
| 258 | I | 43.3 | Very low | 37.9 | Very low | 64 Ų | 64 | 101.3 Ų | 101.3 | 33% | 0.328 | 47% | 0.471 | S | S | . | . | trans | -138.1 | 108.5 | -172.9 | -163.8 | 165.6 | 0 | 0 | 0 | 118.9 | S242 S243 I260 | S242-I258 CarbonylContact C-O 3.3Å; S242-I258 VanDerWaalsContact C-O 3.3Å; S242-I258 WeakPolarHBondContact CB-O 3.43Å; S242-I258 CarbonylContact O-C 3.07Å; S243-I258 CarbonylContact O-C 3.58Å; S243-I258 WeakPolarHBondContact O-CA 3.17Å; S243-I258 PolarHBondContact O-N 3.01Å; I258-I260 HydrophobicContact CD1-CD1 3.94Å; I258-I260 HydrophobicContact CD1-CG1 4.34Å; I258-I260 HydrophobicContact CG1-CD1 3.96Å; I258-I260 HydrophobicContact CG1-CG1 3.81Å; I258-I260 HydrophobicContact CG2-CD1 4.27Å; I258-I260 HydrophobicContact CG2-CG1 4.31Å; I258-I260 PolarHBondContact O-N 3.49Å; I258-I260 VanDerWaalsContact O-N 3.08Å | ||
| 259 | L | 42.3 | Very low | 38.4 | Very low | 16 Ų | 16 | 97.6 Ų | 97.6 | 8% | 0.084 | 46% | 0.46 | C | S | . | . | trans | -76.6 | 99.1 | 179.4 | -151.3 | 141.7 | 0 | 0 | 0 | 112.8 | I241 S242 S243 V261 I289 I291 | I241-L259 HydrophobicContact CG2-CD1 4.06Å; I241-L259 HydrophobicContact CG2-CD2 4.37Å; I241-L259 HydrophobicContact CG2-CG 4.11Å; S242-L259 VanDerWaalsContact C-CA 3.47Å; S243-L259 VanDerWaalsContact CA-CB 3.4Å; S243-L259 VanDerWaalsContact N-CB 3.25Å; L259-V261 HydrophobicContact CD2-CG2 3.32Å; L259-V261 HydrophobicContact CG-CG2 4.37Å; L259-I289 HydrophobicContact CB-CB 4.22Å; L259-I289 HydrophobicContact CD2-CB 3.6Å; L259-I289 HydrophobicContact CD2-CD1 3.63Å; L259-I289 HydrophobicContact CD2-CG1 3.9Å; L259-I289 HydrophobicContact CD2-CG2 4.24Å; L259-I289 HydrophobicContact CG-CB 4.45Å; L259-I289 PolarHBondContact O-N 3.12Å; L259-I291 HydrophobicContact CD1-CD1 4.08Å | ||
| 260 | I | 42.6 | Very low | 38.6 | Very low | 24 Ų | 24 | 97.3 Ų | 97.3 | 12% | 0.123 | 47% | 0.468 | C | S | . | . | trans | -117 | 109.1 | 177.4 | -53.6 | -159.6 | 0 | 0 | 0 | 108.2 | I241 I258 F262 F286 F287 | I241-I260 CarbonylContact C-O 3.47Å; I241-I260 WeakPolarHBondContact CA-O 3.45Å; I258-I260 HydrophobicContact CD1-CD1 3.94Å; I258-I260 HydrophobicContact CD1-CG1 4.34Å; I258-I260 HydrophobicContact CG1-CD1 3.96Å; I258-I260 HydrophobicContact CG1-CG1 3.81Å; I258-I260 HydrophobicContact CG2-CD1 4.27Å; I258-I260 HydrophobicContact CG2-CG1 4.31Å; I258-I260 PolarHBondContact O-N 3.49Å; I258-I260 VanDerWaalsContact O-N 3.08Å; I260-F262 HydrophobicContact CG2-CD1 3.55Å; I260-F262 HydrophobicContact CG2-CE1 3.19Å; I260-F262 HydrophobicContact CG2-CE2 4.23Å; I260-F262 HydrophobicContact CG2-CG 4.26Å; I260-F262 HydrophobicContact CG2-CZ 3.56Å; I260-F286 HydrophobicContact CD1-CD1 3.8Å; I260-F286 HydrophobicContact CD1-CE1 4.46Å; I260-F286 HydrophobicContact CG2-CB 4.46Å; I260-F286 HydrophobicContact CG2-CD1 4.09Å; I260-F287 WeakPolarHBondContact CA-O 3.38Å; I260-F287 WeakPolarHBondContact CB-O 3.43Å; I260-F287 WeakPolarHBondContact CG1-O 3.35Å; I260-F287 WeakPolarHBondContact CG2-O 3.17Å | ||
| 261 | V | 40.5 | Very low | 38.6 | Very low | 26 Ų | 26 | 96.4 Ų | 96.4 | 16% | 0.158 | 46% | 0.461 | C | S | . | . | trans | -102.6 | 77.6 | -177.6 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | L239 F240 I241 L259 W263 F287 I289 | L239-V261 HydrophobicContact CD1-CG1 3.6Å; F240-V261 WeakPolarHBondContact O-CA 3.31Å; F240-V261 WeakPolarHBondContact O-CB 3.35Å; F240-V261 VanDerWaalsContact O-CG1 3.32Å; F240-V261 WeakPolarHBondContact O-CG1 3.15Å; F240-V261 WeakPolarHBondContact O-CG2 3.38Å; I241-V261 HydrophobicContact CB-CG2 4.29Å; I241-V261 HydrophobicContact CG1-CG2 4.29Å; I241-V261 HydrophobicContact CG2-CG2 4.15Å; L259-V261 HydrophobicContact CD2-CG2 3.32Å; L259-V261 HydrophobicContact CG-CG2 4.37Å; V261-W263 PolarHBondContact O-N 2.85Å; V261-F287 HydrophobicContact CB-CB 4.38Å; V261-F287 WeakPolarHBondContact O-CB 3.22Å; V261-F287 WeakPolarHBondContact O-CD1 3.45Å; V261-F287 WeakPolarHBondContact O-CD2 3.48Å; V261-F287 WeakPolarHBondContact O-CE2 3.48Å; V261-F287 WeakPolarHBondContact O-CG 3.39Å; V261-I289 HydrophobicContact CG2-CD1 4.45Å | ||
| 262 | F | 32.9 | Very low | 38.9 | Very low | 67 Ų | 67 | 100 Ų | 100 | 29% | 0.294 | 47% | 0.47 | S | S | . | . | trans | -61.1 | 128.1 | 178.1 | -52.6 | -55.1 | 0 | 0 | 0 | 111.5 | F240 I260 N285 F286 | F240-F262 HydrophobicContact CB-CB 3.72Å; F240-F262 HydrophobicContact CB-CD2 3.92Å; F240-F262 HydrophobicContact CB-CG 4.21Å; F240-F262 AromaticContact CD1-CD2 3.32Å; F240-F262 HydrophobicContact CD1-CD2 3.32Å; F240-F262 AromaticContact CD1-CE2 3.78Å; F240-F262 HydrophobicContact CD1-CE2 3.78Å; F240-F262 HydrophobicContact CD1-CG 4.26Å; F240-F262 HydrophobicContact CD2-CD2 4.18Å; F240-F262 AromaticContact CE1-CD2 3.75Å; F240-F262 HydrophobicContact CE1-CD2 3.75Å; F240-F262 AromaticContact CE1-CE2 3.75Å; F240-F262 HydrophobicContact CE1-CE2 3.75Å; F240-F262 HydrophobicContact CG-CB 4.32Å; F240-F262 AromaticContact CG-CD2 3.56Å; F240-F262 HydrophobicContact CG-CD2 3.56Å; F240-F262 HydrophobicContact CG-CE2 4.4Å; F240-F262 HydrophobicContact CG-CG 4.34Å; F240-F262 HydrophobicContact CZ-CD2 4.34Å; F240-F262 HydrophobicContact CZ-CE2 4.34Å; F240-F262 PolarHBondContact N-O 3.12Å; I260-F262 HydrophobicContact CG2-CD1 3.55Å; I260-F262 HydrophobicContact CG2-CE1 3.19Å; I260-F262 HydrophobicContact CG2-CE2 4.23Å; I260-F262 HydrophobicContact CG2-CG 4.26Å; I260-F262 HydrophobicContact CG2-CZ 3.56Å; F262-N285 WeakPolarHBondContact CD1-O 3.37Å; F262-N285 WeakPolarHBondContact CE1-O 3.47Å; F262-F286 HydrophobicContact CE1-CB 4.48Å; F262-F286 AromaticContact CE1-CD1 3.67Å; F262-F286 HydrophobicContact CE1-CD1 3.67Å; F262-F286 HydrophobicContact CE1-CE1 4.22Å; F262-F286 HydrophobicContact CE1-CG 4.23Å; F262-F286 HydrophobicContact CZ-CD1 4.01Å; F262-F286 HydrophobicContact CZ-CE1 4.17Å | ||
| 263 | W | 38.4 | Very low | 39 | Very low | 112 Ų | 112 | 94.5 Ų | 94.5 | 42% | 0.424 | 47% | 0.468 | S | S | . | . | trans | -115.9 | 130.3 | 155.8 | -101.6 | 30.7 | 0 | 0 | 0 | 108.2 | H237 H238 L239 V261 F287 | H237-W263 HydrophobicContact CB-CH2 3.65Å; H237-W263 HydrophobicContact CB-CZ2 3.66Å; H237-W263 HydrophobicContact CB-CZ3 4.11Å; H237-W263 AromaticContact CD2-CH2 3.35Å; H237-W263 WeakPolarHBondContact CD2-CH2 3.5Å; H237-W263 AromaticContact CD2-CZ3 3.82Å; H237-W263 AromaticContact CE1-CH2 3.79Å; H237-W263 AromaticContact CE1-CZ3 3.42Å; H237-W263 VanDerWaalsContact CE1-CZ3 3.42Å; H237-W263 WeakPolarHBondContact CE1-CZ3 3.42Å; H237-W263 AromaticContact CG-CH2 3.26Å; H237-W263 AromaticContact CG-CZ2 3.85Å; H237-W263 AromaticContact CG-CZ3 3.51Å; H237-W263 AromaticContact ND1-CE3 3.89Å; H237-W263 AromaticContact ND1-CH2 3.56Å; H237-W263 AromaticContact ND1-CZ3 3.25Å; H237-W263 VanDerWaalsContact ND1-CZ3 3.25Å; H237-W263 WeakPolarHBondContact ND1-CZ3 3.29Å; H237-W263 AromaticContact NE2-CH2 3.68Å; H237-W263 AromaticContact NE2-CZ3 3.77Å; H238-W263 PolarHBondContact O-NE1 3.39Å; L239-W263 VanDerWaalsContact CD1-NE1 3.32Å; V261-W263 PolarHBondContact O-N 2.85Å; W263-F287 HydrophobicContact CB-CE2 4.49Å; W263-F287 HydrophobicContact CB-CZ 4.44Å | ||
| 264 | R | 34.9 | Very low | 39.2 | Very low | 132 Ų | 132 | 97.2 Ų | 97.2 | 50% | 0.498 | 50% | 0.503 | S | S | . | . | trans | -125.8 | 133 | 162.9 | -131.3 | -174.6 | -176.6 | 120.1 | 2 | 107 | T283 | R264-T283 VanDerWaalsContact CZ-O 3.31Å; R264-T283 PolarHBondContact NH1-O 3.45Å; R264-T283 PolarHBondContact NH2-O 3.05Å | ||
| 265 | Y | 31.4 | Very low | 39.5 | Very low | 82 Ų | 82 | 93.8 Ų | 93.8 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | trans | -140.2 | 113.8 | 169.6 | 172.6 | -129.7 | 0 | 0 | 0 | 110.4 | V235 H236 D267 | V235-Y265 HydrophobicContact CB-CE1 4.21Å; V235-Y265 HydrophobicContact CG1-CD1 3.89Å; V235-Y265 HydrophobicContact CG1-CE1 3.61Å; V235-Y265 HydrophobicContact CG2-CE1 4.37Å; H236-Y265 HydrophobicContact CB-CD2 3.7Å; H236-Y265 HydrophobicContact CB-CE2 3.32Å; H236-Y265 PolarHBondContact N-OH 3Å; H236-Y265 VanDerWaalsContact O-CD1 3.23Å; H236-Y265 WeakPolarHBondContact O-CD1 3.13Å; H236-Y265 VanDerWaalsContact O-CD2 3.29Å; H236-Y265 WeakPolarHBondContact O-CD2 3.47Å; Y265-D267 HydrophobicContact CE2-CB 4.44Å; Y265-D267 PolarHBondContact OH-OD1 3.4Å | ||
| 266 | E | 36.1 | Very low | 39.5 | Very low | 167 Ų | 167 | 97.9 Ų | 97.9 | 78% | 0.78 | 52% | 0.523 | S | S | * | . | trans | -132.4 | 153.4 | 162.2 | -69.8 | 179.6 | 156.1 | 0 | 0 | 107.1 | P268 | E266-P268 WeakPolarHBondContact O-CD 3.42Š| ||
| 267 | D | 36.3 | Very low | 39.4 | Very low | 62 Ų | 62 | 100.6 Ų | 100.6 | 33% | 0.332 | 55% | 0.545 | S | S | . | . | trans | -81.4 | 118.6 | -155.9 | -163 | 56.3 | 0 | 0 | 0 | 114.1 | Y265 T269 | Y265-D267 HydrophobicContact CE2-CB 4.44Å; Y265-D267 PolarHBondContact OH-OD1 3.4Å; D267-T269 PolarHBondContact O-N 3.05Å; D267-T269 VanDerWaalsContact O-N 3.09Å; D267-T269 WeakPolarHBondContact OD2-CB 3.39Å; D267-T269 WeakPolarHBondContact OD2-CG2 3.42Å; D267-T269 PolarHBondContact OD2-OG1 3.35Å | ||
| 268 | P | 45.2 | Very low | 39.3 | Very low | 74 Ų | 74 | 99.7 Ų | 99.7 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -72.3 | -4.2 | -173.3 | 29.4 | -36 | 0 | 0 | 0 | 114.2 | E266 L270 | E266-P268 WeakPolarHBondContact O-CD 3.42Å; P268-L270 PolarHBondContact O-N 3.36Å |
| 269 | T | 47 | Very low | 38.8 | Very low | 91 Ų | 91 | 106 Ų | 106 | 56% | 0.558 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -74.1 | -5.7 | -176.8 | 70.2 | 0 | 0 | 0 | 0 | 114.8 | D267 | D267-T269 PolarHBondContact O-N 3.05Å; D267-T269 VanDerWaalsContact O-N 3.09Å; D267-T269 WeakPolarHBondContact OD2-CB 3.39Å; D267-T269 WeakPolarHBondContact OD2-CG2 3.42Å; D267-T269 PolarHBondContact OD2-OG1 3.35Å |
| 270 | L | 45.8 | Very low | 38.3 | Very low | 142 Ų | 142 | 114.7 Ų | 114.7 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -75.7 | -20.5 | -179.1 | -79.7 | 167.3 | 0 | 0 | 0 | 115.1 | P268 R272 | P268-L270 PolarHBondContact O-N 3.36Å; L270-R272 PolarHBondContact O-N 2.96Å |
| 271 | F | 38.8 | Very low | 37.7 | Very low | 189 Ų | 189 | 121.9 Ų | 121.9 | 83% | 0.829 | 65% | 0.652 | S | S | * | * | trans | -104.7 | 64.2 | -173.1 | -69.5 | -79.4 | 0 | 0 | 0 | 114 | ||||
| 272 | R | 49 | Very low | 37.5 | Very low | 248 Ų | 248 | 125.7 Ų | 125.7 | 94% | 0.936 | 68% | 0.678 | S | S | * | * | trans | -113.8 | 21.1 | 165.3 | -149.6 | 179.5 | -174.7 | -106.7 | 1.4 | 114 | L270 | L270-R272 PolarHBondContact O-N 2.96Š| ||
| 273 | G | 39.5 | Very low | 37.5 | Very low | 65 Ų | 65 | 127.3 Ų | 127.3 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -97.2 | 119.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G275 | G273-G275 PolarHBondContact O-N 3.37Š|
| 274 | G | 37.7 | Very low | 37 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 95% | 0.948 | 71% | 0.705 | S | S | * | * | trans | -77.7 | 113.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 275 | G | 37 | Very low | 37 | Very low | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | trans | 179.2 | 98.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G273 | G273-G275 PolarHBondContact O-N 3.37Š| ||
| 276 | N | 37.5 | Very low | 37 | Very low | 158 Ų | 158 | 129 Ų | 129 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | 38.6 | 105.4 | 147.9 | -54.2 | -13.5 | 0 | 0 | 0 | 119.9 | ||||
| 277 | V | 33.7 | Very low | 37.2 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | trans | 32.5 | 108 | 140.4 | -170.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 278 | G | 35.6 | Very low | 37 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | -133.6 | 148 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 279 | E | 33.2 | Very low | 36.5 | Very low | 197 Ų | 197 | 130.8 Ų | 130.8 | 92% | 0.921 | 72% | 0.718 | S | S | * | * | trans | -74.9 | 146.4 | -174.1 | -64 | 179.2 | 120.1 | 0 | 0 | 112.9 | ||||
| 280 | F | 30.3 | Very low | 35.7 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 87% | 0.868 | 73% | 0.732 | S | S | * | * | trans | -103.1 | 129.8 | 179.8 | -122.6 | -93 | 0 | 0 | 0 | 110.5 | ||||
| 281 | Q | 30.9 | Very low | 35 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -120.4 | 115.5 | 169.1 | -67.4 | -159.3 | 17.7 | 0 | 0 | 111 | ||||
| 282 | P | 35.6 | Very low | 34.8 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | trans | -89.6 | 106.8 | 178.1 | 33 | -30.7 | 0 | 0 | 0 | 111.4 | ||||
| 283 | T | 33.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | trans | -82.4 | 147.5 | 166 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | R264 | R264-T283 VanDerWaalsContact CZ-O 3.31Å; R264-T283 PolarHBondContact NH1-O 3.45Å; R264-T283 PolarHBondContact NH2-O 3.05Å | ||
| 284 | D | 28.1 | Very low | 33.8 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 66% | 0.658 | 70% | 0.7 | S | S | * | * | trans | -69.2 | 160.6 | -164.8 | -54.5 | -91 | 0 | 0 | 0 | 116 | F286 | D284-F286 HydrophobicContact CB-CD2 4.15Å; D284-F286 HydrophobicContact CB-CE2 3.53Å; D284-F286 HydrophobicContact CB-CZ 4.15Å | ||
| 285 | N | 34.6 | Very low | 33.5 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 59% | 0.594 | 69% | 0.686 | S | S | * | * | trans | -160 | 119.2 | 159.3 | -146.2 | -16.5 | 0 | 0 | 0 | 109.8 | F262 | F262-N285 WeakPolarHBondContact CD1-O 3.37Å; F262-N285 WeakPolarHBondContact CE1-O 3.47Å | ||
| 286 | F | 32.8 | Very low | 33.3 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 55% | 0.553 | 69% | 0.688 | S | S | * | * | trans | -112.5 | 137.4 | -168.3 | -63.2 | -89.6 | 0 | 0 | 0 | 114.5 | I260 F262 D284 | I260-F286 HydrophobicContact CD1-CD1 3.8Å; I260-F286 HydrophobicContact CD1-CE1 4.46Å; I260-F286 HydrophobicContact CG2-CB 4.46Å; I260-F286 HydrophobicContact CG2-CD1 4.09Å; F262-F286 HydrophobicContact CE1-CB 4.48Å; F262-F286 AromaticContact CE1-CD1 3.67Å; F262-F286 HydrophobicContact CE1-CD1 3.67Å; F262-F286 HydrophobicContact CE1-CE1 4.22Å; F262-F286 HydrophobicContact CE1-CG 4.23Å; F262-F286 HydrophobicContact CZ-CD1 4.01Å; F262-F286 HydrophobicContact CZ-CE1 4.17Å; D284-F286 HydrophobicContact CB-CD2 4.15Å; D284-F286 HydrophobicContact CB-CE2 3.53Å; D284-F286 HydrophobicContact CB-CZ 4.15Å | ||
| 287 | F | 39.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 43% | 0.425 | 68% | 0.677 | S | S | . | * | trans | -98.3 | 158.1 | 164.7 | -79.7 | -112 | 0 | 0 | 0 | 110.7 | I260 V261 W263 | I260-F287 WeakPolarHBondContact CA-O 3.38Å; I260-F287 WeakPolarHBondContact CB-O 3.43Å; I260-F287 WeakPolarHBondContact CG1-O 3.35Å; I260-F287 WeakPolarHBondContact CG2-O 3.17Å; V261-F287 HydrophobicContact CB-CB 4.38Å; V261-F287 WeakPolarHBondContact O-CB 3.22Å; V261-F287 WeakPolarHBondContact O-CD1 3.45Å; V261-F287 WeakPolarHBondContact O-CD2 3.48Å; V261-F287 WeakPolarHBondContact O-CE2 3.48Å; V261-F287 WeakPolarHBondContact O-CG 3.39Å; W263-F287 HydrophobicContact CB-CE2 4.49Å; W263-F287 HydrophobicContact CB-CZ 4.44Å | ||
| 288 | K | 31.7 | Very low | 33 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 73% | 0.726 | 66% | 0.661 | S | S | * | * | trans | -148.7 | 96.1 | -179.6 | -175.4 | 176.6 | -178.3 | 173 | 0 | 111.4 | ||||
| 289 | I | 35.4 | Very low | 32.8 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 40% | 0.4 | 66% | 0.656 | S | S | . | * | trans | -95.3 | 114.3 | 173 | -62.9 | 179.5 | 0 | 0 | 0 | 108.7 | L259 V261 I291 | L259-I289 HydrophobicContact CB-CB 4.22Å; L259-I289 HydrophobicContact CD2-CB 3.6Å; L259-I289 HydrophobicContact CD2-CD1 3.63Å; L259-I289 HydrophobicContact CD2-CG1 3.9Å; L259-I289 HydrophobicContact CD2-CG2 4.24Å; L259-I289 HydrophobicContact CG-CB 4.45Å; L259-I289 PolarHBondContact O-N 3.12Å; V261-I289 HydrophobicContact CG2-CD1 4.45Å; I289-I291 HydrophobicContact CG2-CG1 4.28Å | ||
| 290 | R | 30.1 | Very low | 32.8 | Very low | 226 Ų | 226 | 132.3 Ų | 132.3 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | trans | -78.5 | 117.3 | 157.4 | 174.3 | -172.9 | -77.7 | 164.5 | -8.1 | 106.1 | ||||
| 291 | I | 31.4 | Very low | 33 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 41% | 0.405 | 61% | 0.613 | S | S | . | * | trans | -72.4 | 0 | 172.3 | -62.7 | 165.5 | 0 | 0 | 0 | 109.1 | F245 L259 I289 | F245-I291 HydrophobicContact CD2-CB 3.77Å; F245-I291 HydrophobicContact CD2-CG2 4.1Å; F245-I291 VanDerWaalsContact CE2-C 3.45Å; F245-I291 HydrophobicContact CE2-CB 3.57Å; F245-I291 HydrophobicContact CE2-CG2 3.71Å; F245-I291 VanDerWaalsContact CE2-O 3.3Å; F245-I291 WeakPolarHBondContact CE2-O 3.29Å; L259-I291 HydrophobicContact CD1-CD1 4.08Å; I289-I291 HydrophobicContact CG2-CG1 4.28Å |
Retrieved 291 of 291 residues in 112.7 ms
(Link to these results)