| 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 | 60 | Low | 77.5 | Confident | 246 Ų | 246 | 117.1 Ų | 117.1 | 100% | 1.212 | 62% | 0.623 | S | S | * | * | 0 | 119.8 | 0 | -73 | 172.6 | 173.5 | 0 | 0 | 107.7 | |||||
| 2 | T | 66.6 | Low | 77.4 | Confident | 145 Ų | 145 | 115.8 Ų | 115.8 | 89% | 0.89 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 118.6 | 169.1 | 36.9 | 0 | 0 | 0 | 0 | 108.1 | ||
| 3 | I | 81 | Confident | 77.3 | Confident | 110 Ų | 110 | 114.8 Ų | 114.8 | 56% | 0.564 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -69 | 140.8 | 166.3 | 53.5 | 178.3 | 0 | 0 | 0 | 108.7 | Q7 A8 | I3-Q7 HydrophobicContact CB-CB 4.5Å; I3-A8 HydrophobicContact CD1-CB 3.96Å |
| 4 | S | 82.6 | Confident | 77.6 | Confident | 65 Ų | 65 | 113.6 Ų | 113.6 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 152.5 | 169.9 | -178.1 | 0 | 0 | 0 | 0 | 110 | E6 Q7 A8 | S4-E6 PolarHBondContact O-N 3.28Å; S4-Q7 WeakPolarHBondContact O-CB 3.1Å; S4-Q7 PolarHBondContact O-N 3.26Å; S4-A8 PolarHBondContact O-N 2.85Å |
| 5 | L | 81.8 | Confident | 77.2 | Confident | 150 Ų | 150 | 111.1 Ų | 111.1 | 79% | 0.785 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -55.5 | -39.8 | 174.3 | -71.1 | 172.5 | 0 | 0 | 0 | 111.3 | Q7 A8 L9 | L5-Q7 VanDerWaalsContact C-N 3.33Å; L5-Q7 PolarHBondContact O-N 3.31Å; L5-A8 WeakPolarHBondContact O-CB 3.22Å; L5-A8 PolarHBondContact O-N 3.49Å; L5-L9 PolarHBondContact O-N 3.49Å |
| 6 | E | 84.2 | Confident | 76.9 | Confident | 129 Ų | 129 | 110.8 Ų | 110.8 | 60% | 0.603 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -55.6 | -45.1 | 173.1 | -62.6 | -57.8 | 148 | 0 | 0 | 112.3 | S4 L9 I10 | S4-E6 PolarHBondContact O-N 3.28Å; E6-L9 PolarHBondContact O-N 3.06Å; E6-I10 WeakPolarHBondContact O-CD1 3.5Å; E6-I10 VanDerWaalsContact O-CG1 3.27Å; E6-I10 WeakPolarHBondContact O-CG1 3.18Å; E6-I10 PolarHBondContact O-N 3.37Å |
| 7 | Q | 82.3 | Confident | 77.1 | Confident | 109 Ų | 109 | 110.5 Ų | 110.5 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.6 | -37.3 | 178.6 | -69.5 | -177.2 | -26.4 | 0 | 0 | 111.8 | I3 S4 L5 L9 I11 | I3-Q7 HydrophobicContact CB-CB 4.5Å; S4-Q7 WeakPolarHBondContact O-CB 3.1Å; S4-Q7 PolarHBondContact O-N 3.26Å; L5-Q7 VanDerWaalsContact C-N 3.33Å; L5-Q7 PolarHBondContact O-N 3.31Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; Q7-I11 WeakPolarHBondContact O-CB 3.14Å; Q7-I11 WeakPolarHBondContact O-CD1 3.4Å; Q7-I11 WeakPolarHBondContact O-CG1 2.94Å; Q7-I11 PolarHBondContact O-N 3.45Å |
| 8 | A | 77.8 | Confident | 77 | Confident | 37 Ų | 37 | 110.3 Ų | 110.3 | 31% | 0.306 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.1 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I3 S4 L5 I11 L12 | I3-A8 HydrophobicContact CD1-CB 3.96Å; S4-A8 PolarHBondContact O-N 2.85Å; L5-A8 WeakPolarHBondContact O-CB 3.22Å; L5-A8 PolarHBondContact O-N 3.49Å; A8-I11 PolarHBondContact O-N 3.18Å; A8-L12 WeakPolarHBondContact O-CB 3.35Å; A8-L12 PolarHBondContact O-N 2.87Å |
| 9 | L | 79 | Confident | 76.6 | Confident | 107 Ų | 107 | 107.3 Ų | 107.3 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67 | -46.2 | 178.2 | -169.3 | 142.2 | 0 | 0 | 0 | 111.6 | L5 E6 Q7 I11 L12 E13 | L5-L9 PolarHBondContact O-N 3.49Å; E6-L9 PolarHBondContact O-N 3.06Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; L9-I11 VanDerWaalsContact C-N 3.33Å; L9-I11 PolarHBondContact O-N 2.73Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-L12 VanDerWaalsContact O-N 3.15Å; L9-E13 PolarHBondContact O-N 2.93Å |
| 10 | I | 81.4 | Confident | 76.4 | Confident | 105 Ų | 105 | 107.2 Ų | 107.2 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 174.8 | -67.7 | 164.1 | 0 | 0 | 0 | 111.4 | E6 L12 E13 H14 | E6-I10 WeakPolarHBondContact O-CD1 3.5Å; E6-I10 VanDerWaalsContact O-CG1 3.27Å; E6-I10 WeakPolarHBondContact O-CG1 3.18Å; E6-I10 PolarHBondContact O-N 3.37Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.41Å; I10-E13 PolarHBondContact O-N 3.07Å; I10-H14 VanDerWaalsContact O-CB 3.23Å; I10-H14 WeakPolarHBondContact O-CB 3.49Å; I10-H14 PolarHBondContact O-N 3.44Å |
| 11 | I | 76 | Confident | 76.3 | Confident | 85 Ų | 85 | 104.5 Ų | 104.5 | 44% | 0.436 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 176.8 | -71.4 | 165.8 | 0 | 0 | 0 | 111.2 | Q7 A8 L9 R15 | Q7-I11 WeakPolarHBondContact O-CB 3.14Å; Q7-I11 WeakPolarHBondContact O-CD1 3.4Å; Q7-I11 WeakPolarHBondContact O-CG1 2.94Å; Q7-I11 PolarHBondContact O-N 3.45Å; A8-I11 PolarHBondContact O-N 3.18Å; L9-I11 VanDerWaalsContact C-N 3.33Å; L9-I11 PolarHBondContact O-N 2.73Å; I11-R15 WeakPolarHBondContact O-CB 3.45Å; I11-R15 WeakPolarHBondContact O-CG 3.49Å; I11-R15 PolarHBondContact O-N 3.46Å; I11-R15 VanDerWaalsContact O-N 3.1Å |
| 12 | L | 75.7 | Confident | 76.9 | Confident | 102 Ų | 102 | 96 Ų | 96 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -48.2 | 177.9 | -178.8 | 60.6 | 0 | 0 | 0 | 111.3 | A8 L9 I10 R15 Q16 | A8-L12 WeakPolarHBondContact O-CB 3.35Å; A8-L12 PolarHBondContact O-N 2.87Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-L12 VanDerWaalsContact O-N 3.15Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.41Å; L12-R15 WeakPolarHBondContact O-CB 3.48Å; L12-R15 PolarHBondContact O-N 3.06Å; L12-Q16 WeakPolarHBondContact O-CG 3.22Å; L12-Q16 PolarHBondContact O-N 3.47Å |
| 13 | E | 76.6 | Confident | 77.1 | Confident | 103 Ų | 103 | 90 Ų | 90 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 178.8 | -166.3 | -167 | 151.6 | 0 | 0 | 111.4 | L9 I10 R15 Q16 Q17 | L9-E13 PolarHBondContact O-N 2.93Å; I10-E13 PolarHBondContact O-N 3.07Å; E13-R15 VanDerWaalsContact C-N 3.27Å; E13-R15 PolarHBondContact O-N 3.18Å; E13-Q16 WeakPolarHBondContact O-CA 3.33Å; E13-Q16 WeakPolarHBondContact O-CB 3.49Å; E13-Q16 PolarHBondContact O-N 2.99Å; E13-Q17 WeakPolarHBondContact O-CG 3.27Å; E13-Q17 PolarHBondContact O-N 3.16Å; E13-Q17 PolarHBondContact OE1-NE2 3.18Å |
| 14 | H | 81.4 | Confident | 76.7 | Confident | 97 Ų | 97 | 89.8 Ų | 89.8 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.4 | -38.1 | 175.7 | 175.4 | -106.7 | 0 | 0 | 0 | 112.2 | I10 Q17 Q18 | I10-H14 VanDerWaalsContact O-CB 3.23Å; I10-H14 WeakPolarHBondContact O-CB 3.49Å; I10-H14 PolarHBondContact O-N 3.44Å; H14-Q17 PolarHBondContact O-N 3.16Å; H14-Q18 PolarHBondContact CE1-NE2 3.43Å; H14-Q18 PolarHBondContact NE2-NE2 3.48Å; H14-Q18 WeakPolarHBondContact O-CG 3.23Å; H14-Q18 PolarHBondContact O-N 3.03Å |
| 15 | R | 71.7 | Confident | 76.4 | Confident | 77 Ų | 77 | 92.2 Ų | 92.2 | 29% | 0.291 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 172.6 | -78.8 | -175.7 | -175.5 | -90.3 | 6.5 | 112.9 | I11 L12 E13 Q18 M19 V277 | I11-R15 WeakPolarHBondContact O-CB 3.45Å; I11-R15 WeakPolarHBondContact O-CG 3.49Å; I11-R15 PolarHBondContact O-N 3.46Å; I11-R15 VanDerWaalsContact O-N 3.1Å; L12-R15 WeakPolarHBondContact O-CB 3.48Å; L12-R15 PolarHBondContact O-N 3.06Å; E13-R15 VanDerWaalsContact C-N 3.27Å; E13-R15 PolarHBondContact O-N 3.18Å; R15-Q18 PolarHBondContact O-N 3.18Å; R15-M19 WeakPolarHBondContact O-CB 3.46Å; R15-M19 PolarHBondContact O-N 3.43Å; R15-V277 VanDerWaalsContact NH2-CG1 3.3Å |
| 16 | Q | 73.2 | Confident | 76 | Confident | 105 Ų | 105 | 86.1 Ų | 86.1 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 175 | -67.5 | -63.1 | -21.9 | 0 | 0 | 111.1 | L12 E13 M19 L20 | L12-Q16 WeakPolarHBondContact O-CG 3.22Å; L12-Q16 PolarHBondContact O-N 3.47Å; E13-Q16 WeakPolarHBondContact O-CA 3.33Å; E13-Q16 WeakPolarHBondContact O-CB 3.49Å; E13-Q16 PolarHBondContact O-N 2.99Å; Q16-M19 WeakPolarHBondContact O-CB 3.49Å; Q16-M19 PolarHBondContact O-N 2.79Å; Q16-L20 WeakPolarHBondContact O-CB 3.32Å; Q16-L20 PolarHBondContact O-N 3.45Å |
| 17 | Q | 79.2 | Confident | 75.5 | Confident | 107 Ų | 107 | 82 Ų | 82 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.1 | -68.2 | -179.5 | 7.1 | 0 | 0 | 111.9 | E13 H14 M19 L20 A21 | E13-Q17 WeakPolarHBondContact O-CG 3.27Å; E13-Q17 PolarHBondContact O-N 3.16Å; E13-Q17 PolarHBondContact OE1-NE2 3.18Å; H14-Q17 PolarHBondContact O-N 3.16Å; Q17-M19 VanDerWaalsContact C-N 3.34Å; Q17-M19 PolarHBondContact O-N 2.76Å; Q17-L20 PolarHBondContact O-N 2.96Å; Q17-A21 WeakPolarHBondContact O-CB 3.44Å; Q17-A21 PolarHBondContact O-N 3.17Å |
| 18 | Q | 75.6 | Confident | 75 | Confident | 107 Ų | 107 | 83 Ų | 83 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 174.2 | -76 | -168.9 | -11.8 | 0 | 0 | 112.6 | H14 R15 F22 | H14-Q18 PolarHBondContact CE1-NE2 3.43Å; H14-Q18 PolarHBondContact NE2-NE2 3.48Å; H14-Q18 WeakPolarHBondContact O-CG 3.23Å; H14-Q18 PolarHBondContact O-N 3.03Å; R15-Q18 PolarHBondContact O-N 3.18Å; Q18-F22 WeakPolarHBondContact O-CB 3.45Å; Q18-F22 PolarHBondContact O-N 2.88Å |
| 19 | M | 70.4 | Confident | 74.8 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 26% | 0.261 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.7 | -167.6 | -170.6 | -49.9 | 0 | 0 | 111.3 | R15 Q16 Q17 F22 Q23 I241 | R15-M19 WeakPolarHBondContact O-CB 3.46Å; R15-M19 PolarHBondContact O-N 3.43Å; Q16-M19 WeakPolarHBondContact O-CB 3.49Å; Q16-M19 PolarHBondContact O-N 2.79Å; Q17-M19 VanDerWaalsContact C-N 3.34Å; Q17-M19 PolarHBondContact O-N 2.76Å; M19-F22 PolarHBondContact O-N 2.68Å; M19-Q23 VanDerWaalsContact O-CG 3.26Å; M19-Q23 WeakPolarHBondContact O-CG 3.46Å; M19-Q23 PolarHBondContact O-N 2.93Å; M19-I241 HydrophobicContact CG-CD1 4.4Å; M19-I241 HydrophobicContact SD-CD1 3.42Å; M19-I241 WeakPolarHBondContact SD-CD1 3.34Å |
| 20 | L | 71.7 | Confident | 74.2 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65 | -45 | 177.6 | -175.6 | 65.4 | 0 | 0 | 0 | 112 | Q16 Q17 F22 Q23 Q24 | Q16-L20 WeakPolarHBondContact O-CB 3.32Å; Q16-L20 PolarHBondContact O-N 3.45Å; Q17-L20 PolarHBondContact O-N 2.96Å; L20-F22 VanDerWaalsContact C-N 3.34Å; L20-F22 PolarHBondContact O-N 3.1Å; L20-Q23 WeakPolarHBondContact O-CB 3.32Å; L20-Q23 PolarHBondContact O-N 3.35Å; L20-Q24 WeakPolarHBondContact O-CG 3.32Å; L20-Q24 PolarHBondContact O-N 3.19Å |
| 21 | A | 74.7 | Confident | 73.7 | Confident | 52 Ų | 52 | 76.9 Ų | 76.9 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q17 Q24 Q25 | Q17-A21 WeakPolarHBondContact O-CB 3.44Å; Q17-A21 PolarHBondContact O-N 3.17Å; A21-Q24 PolarHBondContact O-N 3.37Å; A21-Q25 WeakPolarHBondContact O-CB 3.44Å; A21-Q25 PolarHBondContact O-N 3.34Å |
| 22 | F | 72.7 | Confident | 73.4 | Confident | 66 Ų | 66 | 76.8 Ų | 76.8 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 174.4 | -177.1 | -91.1 | 0 | 0 | 0 | 112.4 | Q18 M19 L20 L26 W263 | Q18-F22 WeakPolarHBondContact O-CB 3.45Å; Q18-F22 PolarHBondContact O-N 2.88Å; M19-F22 PolarHBondContact O-N 2.68Å; L20-F22 VanDerWaalsContact C-N 3.34Å; L20-F22 PolarHBondContact O-N 3.1Å; F22-L26 HydrophobicContact CE1-CD1 3.69Å; F22-L26 HydrophobicContact CZ-CD1 3.94Å; F22-L26 VanDerWaalsContact O-CB 3.24Å; F22-L26 WeakPolarHBondContact O-CB 3.28Å; F22-L26 PolarHBondContact O-N 2.82Å; F22-W263 AromaticContact CD1-CH2 3.66Å; F22-W263 HydrophobicContact CD1-CH2 3.66Å; F22-W263 AromaticContact CD1-CZ2 3.64Å; F22-W263 HydrophobicContact CD1-CZ2 3.64Å; F22-W263 AromaticContact CE1-CH2 3.3Å; F22-W263 HydrophobicContact CE1-CH2 3.3Å; F22-W263 AromaticContact CE1-CZ2 3.51Å; F22-W263 HydrophobicContact CE1-CZ2 3.51Å; F22-W263 HydrophobicContact CE1-CZ3 4.42Å; F22-W263 HydrophobicContact CG-CH2 4.42Å; F22-W263 AromaticContact CZ-CH2 3.8Å; F22-W263 HydrophobicContact CZ-CH2 3.8Å; F22-W263 HydrophobicContact CZ-CZ2 4.43Å |
| 23 | Q | 69.6 | Low | 73 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 9% | 0.089 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 173.9 | -72.8 | -74.8 | -22.3 | 0 | 0 | 111.2 | M19 L20 L26 I27 | M19-Q23 VanDerWaalsContact O-CG 3.26Å; M19-Q23 WeakPolarHBondContact O-CG 3.46Å; M19-Q23 PolarHBondContact O-N 2.93Å; L20-Q23 WeakPolarHBondContact O-CB 3.32Å; L20-Q23 PolarHBondContact O-N 3.35Å; Q23-L26 PolarHBondContact O-N 2.96Å; Q23-I27 VanDerWaalsContact O-CG1 3.27Å; Q23-I27 WeakPolarHBondContact O-CG1 3.35Å; Q23-I27 PolarHBondContact O-N 3.02Å |
| 24 | Q | 74.1 | Confident | 72.4 | Confident | 106 Ų | 106 | 74.8 Ų | 74.8 | 50% | 0.495 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.2 | -51.2 | 175.8 | -71.3 | 174.6 | 4.3 | 0 | 0 | 111.3 | L20 A21 L26 I27 E28 | L20-Q24 WeakPolarHBondContact O-CG 3.32Å; L20-Q24 PolarHBondContact O-N 3.19Å; A21-Q24 PolarHBondContact O-N 3.37Å; Q24-L26 VanDerWaalsContact C-N 3.26Å; Q24-L26 PolarHBondContact O-N 2.82Å; Q24-I27 PolarHBondContact O-N 3.35Å; Q24-I27 VanDerWaalsContact O-N 3.15Å; Q24-E28 WeakPolarHBondContact O-CG 3.4Å; Q24-E28 PolarHBondContact O-N 3.29Å |
| 25 | Q | 75.2 | Confident | 71.4 | Confident | 117 Ų | 117 | 73.3 Ų | 73.3 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.6 | -37.1 | 177.4 | -171.6 | -176 | 28.8 | 0 | 0 | 112.5 | A21 T29 | A21-Q25 WeakPolarHBondContact O-CB 3.44Å; A21-Q25 PolarHBondContact O-N 3.34Å; Q25-T29 VanDerWaalsContact O-CB 3.26Å; Q25-T29 WeakPolarHBondContact O-CB 3.24Å; Q25-T29 PolarHBondContact O-N 2.99Å; Q25-T29 PolarHBondContact O-OG1 3.43Å |
| 26 | L | 73.7 | Confident | 70.8 | Confident | 21 Ų | 21 | 74.5 Ų | 74.5 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.4 | -36.9 | 178.9 | -166.6 | 142.1 | 0 | 0 | 0 | 111.8 | F22 Q23 Q24 V30 L259 V261 | F22-L26 HydrophobicContact CE1-CD1 3.69Å; F22-L26 HydrophobicContact CZ-CD1 3.94Å; F22-L26 VanDerWaalsContact O-CB 3.24Å; F22-L26 WeakPolarHBondContact O-CB 3.28Å; F22-L26 PolarHBondContact O-N 2.82Å; Q23-L26 PolarHBondContact O-N 2.96Å; Q24-L26 VanDerWaalsContact C-N 3.26Å; Q24-L26 PolarHBondContact O-N 2.82Å; L26-V30 HydrophobicContact CD2-CG2 4.38Å; L26-V30 WeakPolarHBondContact O-CB 3.42Å; L26-V30 VanDerWaalsContact O-CG2 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.21Å; L26-L259 HydrophobicContact CD2-CD1 3.97Å; L26-L259 HydrophobicContact CD2-CD2 3.62Å; L26-L259 HydrophobicContact CD2-CG 4.34Å; L26-V261 HydrophobicContact CD2-CG2 4.16Å |
| 27 | I | 73.4 | Confident | 69.9 | Low | 42 Ų | 42 | 74.8 Ų | 74.8 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.4 | -55.7 | 169.9 | -68.5 | 164.8 | 0 | 0 | 0 | 109.2 | Q23 Q24 T29 V30 L31 F245 L259 | Q23-I27 VanDerWaalsContact O-CG1 3.27Å; Q23-I27 WeakPolarHBondContact O-CG1 3.35Å; Q23-I27 PolarHBondContact O-N 3.02Å; Q24-I27 PolarHBondContact O-N 3.35Å; Q24-I27 VanDerWaalsContact O-N 3.15Å; I27-T29 VanDerWaalsContact C-N 3.32Å; I27-T29 PolarHBondContact O-N 2.89Å; I27-V30 CarbonylContact O-C 3.57Å; I27-V30 WeakPolarHBondContact O-CA 3.27Å; I27-V30 WeakPolarHBondContact O-CB 3.43Å; I27-V30 PolarHBondContact O-N 2.85Å; I27-L31 HydrophobicContact CG2-CD1 3.88Å; I27-L31 HydrophobicContact CG2-CG 4.06Å; I27-L31 WeakPolarHBondContact O-CG 3.3Å; I27-L31 PolarHBondContact O-N 2.95Å; I27-F245 HydrophobicContact CG1-CD1 4.5Å; I27-F245 HydrophobicContact CG1-CE1 4.14Å; I27-F245 HydrophobicContact CG2-CE1 4.32Å; I27-L259 HydrophobicContact CG1-CD2 3.98Å |
| 28 | E | 71.4 | Confident | 68.2 | Low | 130 Ų | 130 | 71.9 Ų | 71.9 | 61% | 0.607 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -52.4 | -47.6 | 177.1 | -72.4 | 178.5 | 168 | 0 | 0 | 112.1 | Q24 V30 L31 D32 | Q24-E28 WeakPolarHBondContact O-CG 3.4Å; Q24-E28 PolarHBondContact O-N 3.29Å; E28-V30 VanDerWaalsContact C-N 3.25Å; E28-V30 PolarHBondContact O-N 3.01Å; E28-L31 PolarHBondContact O-N 2.94Å; E28-D32 WeakPolarHBondContact O-CB 3.13Å; E28-D32 PolarHBondContact O-N 2.98Å |
| 29 | T | 73.6 | Confident | 66.5 | Low | 50 Ų | 50 | 71.2 Ų | 71.2 | 31% | 0.307 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.2 | -31 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | Q25 I27 K33 | Q25-T29 VanDerWaalsContact O-CB 3.26Å; Q25-T29 WeakPolarHBondContact O-CB 3.24Å; Q25-T29 PolarHBondContact O-N 2.99Å; Q25-T29 PolarHBondContact O-OG1 3.43Å; I27-T29 VanDerWaalsContact C-N 3.32Å; I27-T29 PolarHBondContact O-N 2.89Å; T29-K33 VanDerWaalsContact O-CG 3.3Å; T29-K33 WeakPolarHBondContact O-CG 3.25Å |
| 30 | V | 66.9 | Low | 65.3 | Low | 26 Ų | 26 | 77.5 Ų | 77.5 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -76.1 | -48.1 | 174.8 | 164.4 | 0 | 0 | 0 | 0 | 110 | L26 I27 E28 K33 F34 L287 | L26-V30 HydrophobicContact CD2-CG2 4.38Å; L26-V30 WeakPolarHBondContact O-CB 3.42Å; L26-V30 VanDerWaalsContact O-CG2 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.21Å; I27-V30 CarbonylContact O-C 3.57Å; I27-V30 WeakPolarHBondContact O-CA 3.27Å; I27-V30 WeakPolarHBondContact O-CB 3.43Å; I27-V30 PolarHBondContact O-N 2.85Å; E28-V30 VanDerWaalsContact C-N 3.25Å; E28-V30 PolarHBondContact O-N 3.01Å; V30-K33 PolarHBondContact O-N 2.96Å; V30-F34 HydrophobicContact CG1-CD2 3.85Å; V30-F34 HydrophobicContact CG1-CE2 4.11Å; V30-F34 WeakPolarHBondContact O-CD2 3.45Å; V30-F34 PolarHBondContact O-N 3.31Å; V30-L287 HydrophobicContact CG1-CD1 3.44Å; V30-L287 VanDerWaalsContact CG1-CD1 3.44Å |
| 31 | L | 70.3 | Confident | 63.6 | Low | 46 Ų | 46 | 80.5 Ų | 80.5 | 24% | 0.241 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 179.9 | -59.9 | -173.8 | 0 | 0 | 0 | 111.5 | I27 E28 K33 F34 F35 F245 I247 | I27-L31 HydrophobicContact CG2-CD1 3.88Å; I27-L31 HydrophobicContact CG2-CG 4.06Å; I27-L31 WeakPolarHBondContact O-CG 3.3Å; I27-L31 PolarHBondContact O-N 2.95Å; E28-L31 PolarHBondContact O-N 2.94Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 2.96Å; L31-F34 PolarHBondContact O-N 2.88Å; L31-F34 VanDerWaalsContact O-N 3.13Å; L31-F35 HydrophobicContact CB-CD2 4.22Å; L31-F35 HydrophobicContact CB-CE2 4.4Å; L31-F35 HydrophobicContact CD2-CE2 4.19Å; L31-F35 VanDerWaalsContact O-CD2 3.23Å; L31-F35 WeakPolarHBondContact O-CD2 3.44Å; L31-F35 PolarHBondContact O-N 3.09Å; L31-F245 HydrophobicContact CD2-CE2 3.78Å; L31-F245 HydrophobicContact CD2-CZ 4.16Å; L31-I247 HydrophobicContact CD1-CD1 3.62Å; L31-I247 HydrophobicContact CD2-CD1 3.34Å; L31-I247 HydrophobicContact CG-CD1 4.13Å |
| 32 | D | 69.6 | Low | 61.6 | Low | 83 Ų | 83 | 82.2 Ų | 82.2 | 44% | 0.444 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -47.7 | -52 | 173.1 | 172.3 | 70.1 | 0 | 0 | 0 | 110.9 | E28 N36 | E28-D32 WeakPolarHBondContact O-CB 3.13Å; E28-D32 PolarHBondContact O-N 2.98Å; D32-N36 WeakPolarHBondContact O-CA 3.41Å; D32-N36 WeakPolarHBondContact O-CB 3.48Å; D32-N36 PolarHBondContact O-N 2.87Å; D32-N36 PolarHBondContact O-ND2 2.8Å; D32-N36 PolarHBondContact OD1-ND2 2.88Å |
| 33 | K | 68.9 | Low | 59.8 | Low | 94 Ų | 94 | 85.2 Ų | 85.2 | 41% | 0.409 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 179.5 | -68.8 | -179.3 | -177.9 | -142.1 | 0 | 113.5 | T29 V30 L31 F35 D37 | T29-K33 VanDerWaalsContact O-CG 3.3Å; T29-K33 WeakPolarHBondContact O-CG 3.25Å; V30-K33 PolarHBondContact O-N 2.96Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 2.96Å; K33-F35 VanDerWaalsContact C-N 3.34Å; K33-F35 PolarHBondContact O-N 2.89Å; K33-D37 WeakPolarHBondContact O-CB 3.21Å; K33-D37 PolarHBondContact O-N 3.27Å |
| 34 | F | 63.1 | Low | 58.3 | Low | 68 Ų | 68 | 89.7 Ų | 89.7 | 30% | 0.298 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.8 | -32.4 | -179.4 | -92.9 | -96.9 | 0 | 0 | 0 | 113 | V30 L31 L287 F296 | V30-F34 HydrophobicContact CG1-CD2 3.85Å; V30-F34 HydrophobicContact CG1-CE2 4.11Å; V30-F34 WeakPolarHBondContact O-CD2 3.45Å; V30-F34 PolarHBondContact O-N 3.31Å; L31-F34 PolarHBondContact O-N 2.88Å; L31-F34 VanDerWaalsContact O-N 3.13Å; F34-L287 HydrophobicContact CD2-CD1 4.37Å; F34-L287 HydrophobicContact CE1-CD2 4.23Å; F34-L287 HydrophobicContact CE2-CD1 3.66Å; F34-L287 HydrophobicContact CE2-CD2 4.39Å; F34-L287 HydrophobicContact CZ-CD1 3.89Å; F34-L287 HydrophobicContact CZ-CD2 3.74Å; F34-L287 HydrophobicContact CZ-CG 4.38Å; F34-F296 HydrophobicContact CE2-CE2 4.41Å; F34-F296 HydrophobicContact CE2-CZ 4.25Å; F34-F296 HydrophobicContact CZ-CZ 4.49Å |
| 35 | F | 59.7 | Low | 56.3 | Low | 67 Ų | 67 | 90.9 Ų | 90.9 | 29% | 0.294 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -96.2 | -38.5 | -179 | -67.3 | -66.7 | 0 | 0 | 0 | 113.3 | L31 K33 G38 I247 Y249 L254 | L31-F35 HydrophobicContact CB-CD2 4.22Å; L31-F35 HydrophobicContact CB-CE2 4.4Å; L31-F35 HydrophobicContact CD2-CE2 4.19Å; L31-F35 VanDerWaalsContact O-CD2 3.23Å; L31-F35 WeakPolarHBondContact O-CD2 3.44Å; L31-F35 PolarHBondContact O-N 3.09Å; K33-F35 VanDerWaalsContact C-N 3.34Å; K33-F35 PolarHBondContact O-N 2.89Å; F35-G38 PolarHBondContact O-N 3.28Å; F35-I247 HydrophobicContact CZ-CG2 4.19Å; F35-Y249 HydrophobicContact CE1-CG 4.4Å; F35-L254 HydrophobicContact CE1-CD1 4.44Å; F35-L254 HydrophobicContact CZ-CD1 4.1Å |
| 36 | N | 59.6 | Low | 54.2 | Low | 101 Ų | 101 | 94.5 Ų | 94.5 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -84 | -28.4 | -175.6 | -63 | -35.8 | 0 | 0 | 0 | 114.1 | D32 G38 A39 | D32-N36 WeakPolarHBondContact O-CA 3.41Å; D32-N36 WeakPolarHBondContact O-CB 3.48Å; D32-N36 PolarHBondContact O-N 2.87Å; D32-N36 PolarHBondContact O-ND2 2.8Å; D32-N36 PolarHBondContact OD1-ND2 2.88Å; N36-G38 PolarHBondContact O-N 2.77Å; N36-A39 PolarHBondContact O-N 3.47Å |
| 37 | D | 54.8 | Low | 52.2 | Low | 112 Ų | 112 | 102.2 Ų | 102.2 | 60% | 0.599 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -68.1 | -16.5 | 168.6 | -75.2 | -32.3 | 0 | 0 | 0 | 111.8 | K33 A39 K40 | K33-D37 WeakPolarHBondContact O-CB 3.21Å; K33-D37 PolarHBondContact O-N 3.27Å; D37-A39 PolarHBondContact O-N 3.3Å; D37-K40 PolarHBondContact O-N 3.22Å |
| 38 | G | 43 | Very low | 50 | Low | 45 Ų | 45 | 109.7 Ų | 109.7 | 46% | 0.464 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -60.7 | -26.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F35 N36 K40 M41 | F35-G38 PolarHBondContact O-N 3.28Å; N36-G38 PolarHBondContact O-N 2.77Å; G38-K40 PolarHBondContact O-N 3.03Å; G38-K40 VanDerWaalsContact O-N 3.16Å; G38-M41 PolarHBondContact O-N 2.92Å |
| 39 | A | 41.2 | Very low | 48.1 | Very low | 94 Ų | 94 | 109.4 Ų | 109.4 | 78% | 0.777 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -72.5 | -1.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N36 D37 | N36-A39 PolarHBondContact O-N 3.47Å; D37-A39 PolarHBondContact O-N 3.3Å |
| 40 | K | 43.7 | Very low | 46 | Very low | 185 Ų | 185 | 116.4 Ų | 116.4 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -117.8 | 6.9 | 177 | -74.2 | -178.6 | -179.8 | 171.2 | 0 | 114.7 | D37 G38 A42 | D37-K40 PolarHBondContact O-N 3.22Å; G38-K40 PolarHBondContact O-N 3.03Å; G38-K40 VanDerWaalsContact O-N 3.16Å; K40-A42 PolarHBondContact O-N 3.25Å |
| 41 | M | 36.9 | Very low | 44.2 | Very low | 167 Ų | 167 | 118.2 Ų | 118.2 | 82% | 0.823 | 64% | 0.638 | S | S | * | * | trans | -71.3 | 85 | 165.4 | -74 | -78.5 | -86.5 | 0 | 0 | 108.5 | G38 V43 | G38-M41 PolarHBondContact O-N 2.92Å; M41-V43 PolarHBondContact O-N 3.04Å | ||
| 42 | A | 31.7 | Very low | 42.3 | Very low | 88 Ų | 88 | 122 Ų | 122 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -50.7 | 129.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | K40 P44 | K40-A42 PolarHBondContact O-N 3.25Å; A42-P44 WeakPolarHBondContact O-CD 3.42Å; A42-P44 VanDerWaalsContact O-N 3.15Å | ||
| 43 | V | 34.9 | Very low | 40.5 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 78% | 0.782 | 68% | 0.682 | S | S | * | * | trans | -49.2 | 123 | 173.1 | 177.6 | 0 | 0 | 0 | 0 | 107.5 | M41 E45 | M41-V43 PolarHBondContact O-N 3.04Å; V43-E45 VanDerWaalsContact C-N 3.34Å; V43-E45 PolarHBondContact O-N 2.93Å | ||
| 44 | P | 38.6 | Very low | 38.7 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | -64.6 | 103.7 | 170.1 | 26.8 | -31.1 | 0 | 0 | 0 | 106.6 | A42 E46 | A42-P44 WeakPolarHBondContact O-CD 3.42Å; A42-P44 VanDerWaalsContact O-N 3.15Å; P44-E46 PolarHBondContact O-N 3.17Å | ||
| 45 | E | 32.5 | Very low | 37.3 | Very low | 132 Ų | 132 | 132 Ų | 132 | 62% | 0.617 | 73% | 0.725 | S | S | * | * | trans | -55.3 | 111.5 | 174 | -173.4 | -174.6 | -140.2 | 0 | 0 | 107.5 | V43 R47 | V43-E45 VanDerWaalsContact C-N 3.34Å; V43-E45 PolarHBondContact O-N 2.93Å; E45-R47 HydrophobicContact CG-CG 4.39Å; E45-R47 PolarHBondContact O-N 2.94Å; E45-R47 IonicContact OE1-NH2 2.78Å; E45-R47 IonicContact OE2-CZ 3.76Å; E45-R47 IonicContact OE2-NE 3.54Å; E45-R47 PolarHBondContact OE2-NE 3.33Å; E45-R47 IonicContact OE2-NH2 2.87Å; E45-R47 PolarHBondContact OE2-NH2 3.1Å | ||
| 46 | E | 30.9 | Very low | 35.8 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | trans | -65.6 | 81.7 | 179.2 | -79.8 | -166.5 | 139 | 0 | 0 | 110.1 | P44 Q48 | P44-E46 PolarHBondContact O-N 3.17Å; E46-Q48 PolarHBondContact O-N 2.99Å | ||
| 47 | R | 32.3 | Very low | 34.7 | Very low | 182 Ų | 182 | 137 Ų | 137 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | trans | -77.2 | 107.4 | 164.4 | -60.4 | -161.4 | -179 | -135.5 | -3.5 | 107.1 | E45 V49 | E45-R47 HydrophobicContact CG-CG 4.39Å; E45-R47 PolarHBondContact O-N 2.94Å; E45-R47 IonicContact OE1-NH2 2.78Å; E45-R47 IonicContact OE2-CZ 3.76Å; E45-R47 IonicContact OE2-NE 3.54Å; E45-R47 PolarHBondContact OE2-NE 3.33Å; E45-R47 IonicContact OE2-NH2 2.87Å; E45-R47 PolarHBondContact OE2-NH2 3.1Å; R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 PolarHBondContact O-N 2.87Å | ||
| 48 | Q | 25.8 | Very low | 33.7 | Very low | 199 Ų | 199 | 138.6 Ų | 138.6 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | -56.5 | 98.4 | 166.2 | -71 | -176.4 | -20.5 | 0 | 0 | 108.7 | E46 | E46-Q48 PolarHBondContact O-N 2.99Š| ||
| 49 | V | 32.1 | Very low | 33.3 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | -94.6 | 99.2 | 167.6 | 176.7 | 0 | 0 | 0 | 0 | 106.6 | R47 G51 | R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 PolarHBondContact O-N 2.87Å; V49-G51 PolarHBondContact O-N 2.78Å | ||
| 50 | E | 29.9 | Very low | 33 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -64.5 | 118.6 | 177.9 | -169.6 | 165.7 | -175.2 | 0 | 0 | 110.1 | ||||
| 51 | G | 27.6 | Very low | 32.5 | Very low | 63 Ų | 63 | 141.8 Ų | 141.8 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | 94.3 | 82 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | V49 | V49-G51 PolarHBondContact O-N 2.78Š| ||
| 52 | S | 30.4 | Very low | 32.6 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -158.7 | 133.3 | 139.6 | -85.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 53 | I | 32.3 | Very low | 32.9 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 133.9 | -169.1 | -60.1 | 157.8 | 0 | 0 | 0 | 113.3 | F55 | I53-F55 PolarHBondContact O-N 3.13Š|
| 54 | P | 31.4 | Very low | 32.9 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 123 | 170.6 | 30.6 | -32.7 | 0 | 0 | 0 | 111.2 | I56 | P54-I56 PolarHBondContact O-N 3.07Š|
| 55 | F | 33.1 | Very low | 32.8 | Very low | 201 Ų | 201 | 149.1 Ų | 149.1 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 116.6 | 169.2 | -76.8 | -88.6 | 0 | 0 | 0 | 110.4 | I53 | I53-F55 PolarHBondContact O-N 3.13Š|
| 56 | I | 29.6 | Very low | 32.9 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 128.1 | 169.7 | -59.2 | 169.9 | 0 | 0 | 0 | 108.2 | P54 | P54-I56 PolarHBondContact O-N 3.07Š|
| 57 | S | 36.7 | Very low | 33.1 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -104 | 111.1 | 162.4 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 58 | D | 33.4 | Very low | 33.1 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | trans | -79.2 | 129.1 | 178.5 | -116.6 | -43 | 0 | 0 | 0 | 110.8 | ||||
| 59 | G | 34 | Very low | 33.7 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -150.9 | 49.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C61 | G59-C61 PolarHBondContact O-N 2.91Š| ||
| 60 | K | 35.3 | Very low | 33.7 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -47.5 | 122 | -177.8 | -80.8 | 166.7 | 171.3 | 152.4 | 0 | 114.5 | ||||
| 61 | C | 33.2 | Very low | 34.1 | Very low | 132 Ų | 132 | 140 Ų | 140 | 89% | 0.892 | 82% | 0.819 | S | S | * | * | trans | -114 | 150.2 | 143.8 | -158.8 | 0 | 0 | 0 | 0 | 110.1 | G59 | G59-C61 PolarHBondContact O-N 2.91Š| ||
| 62 | K | 39 | Very low | 34.4 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -102.5 | 124.2 | -152.6 | -57.8 | 165.1 | -176.2 | 171.2 | 0 | 111.3 | ||||
| 63 | I | 37.2 | Very low | 34.9 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 90% | 0.903 | 82% | 0.815 | S | S | * | * | trans | -92.5 | 112.7 | 160 | -140.1 | 151.3 | 0 | 0 | 0 | 108.2 | ||||
| 64 | G | 35.8 | Very low | 35.1 | Very low | 71 Ų | 71 | 144.8 Ų | 144.8 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -78.6 | 124.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 65 | K | 35.5 | Very low | 35.2 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -76.1 | 119.1 | 161 | -69.1 | -171.6 | 176.3 | -172.2 | 0 | 108.5 | ||||
| 66 | L | 35.2 | Very low | 35.5 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | trans | -117.1 | 140.4 | 156.1 | -74.2 | 176.5 | 0 | 0 | 0 | 108.1 | ||||
| 67 | A | 36.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -103.8 | 151.1 | -171 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 68 | G | 30.4 | Very low | 35.8 | Very low | 80 Ų | 80 | 140 Ų | 140 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 75.7 | 98.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 69 | S | 38.6 | Very low | 36 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -155.4 | 118.9 | 131.7 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 70 | E | 33.4 | Very low | 36.3 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -70 | 117.2 | 165.6 | -175.4 | 176.2 | 117.5 | 0 | 0 | 107.9 | ||||
| 71 | Q | 37.2 | Very low | 36.3 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -140.3 | 104 | 166.9 | -77.2 | -158.2 | -42.9 | 0 | 0 | 110 | ||||
| 72 | D | 34.9 | Very low | 36.6 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | trans | -67.8 | 161.6 | 167.5 | -67.5 | -53.9 | 0 | 0 | 0 | 112.2 | ||||
| 73 | N | 39.5 | Very low | 36.5 | Very low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | 75 | 114.5 | 160.3 | -39.3 | -64.9 | 0 | 0 | 0 | 117.1 | ||||
| 74 | I | 36.7 | Very low | 36.4 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | 173.4 | 102.7 | 93.5 | -78.5 | 168.9 | 0 | 0 | 0 | 108.9 | |||||
| 75 | L | 35.3 | Very low | 36.8 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 33.4 | 115.5 | 137.3 | -161.6 | 71.7 | 0 | 0 | 0 | 121.1 | ||||
| 76 | P | 39.2 | Very low | 37.1 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 135.8 | 147.9 | 33 | -30 | 0 | 0 | 0 | 110.5 | ||
| 77 | N | 37.3 | Very low | 37.5 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 158 | -172.1 | -163 | 13.9 | 0 | 0 | 0 | 113.7 | ||
| 78 | A | 34.7 | Very low | 38 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 163.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 79 | H | 37.5 | Very low | 38.4 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | -165.5 | 162.3 | 61.7 | -115.2 | -117.7 | 0 | 0 | 0 | 107.8 | |||||
| 80 | E | 39.4 | Very low | 38.8 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 65% | 0.654 | 77% | 0.767 | S | S | * | * | cis | -176.2 | 132.4 | -3.8 | 140 | 178 | -127.5 | 0 | 0 | 111.1 | ||||
| 81 | T | 36.2 | Very low | 39.1 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 53.2 | 166.1 | 152.2 | 70.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 82 | V | 39.4 | Very low | 39.2 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | cis | -162.4 | 151.2 | -10.2 | 119.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 83 | T | 37.7 | Very low | 39.5 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -141.8 | -177.8 | 14.4 | -12.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 84 | V | 35 | Very low | 39.9 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | trans | -124.9 | 149.9 | 162.8 | 170.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 85 | S | 43.4 | Very low | 40.4 | Very low | 125 Ų | 125 | 136 Ų | 136 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -152.9 | 103.2 | 147.7 | -74.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 86 | D | 41.7 | Very low | 41.1 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -69.6 | 155.1 | 162.3 | -69.7 | -63.2 | 0 | 0 | 0 | 110.4 | ||||
| 87 | E | 44.6 | Very low | 41.2 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | 175.2 | 144.5 | 99.7 | -98.8 | -164.1 | -156.9 | 0 | 0 | 115.2 | |||||
| 88 | Q | 46 | Very low | 41.4 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 73.4 | 109.9 | 153.2 | -71 | -177.1 | 57.9 | 0 | 0 | 120.9 | ||||
| 89 | E | 39.2 | Very low | 41.4 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -66.3 | 151.9 | 153.5 | -54.6 | -179.3 | 129.9 | 0 | 0 | 112 | ||||
| 90 | K | 46.5 | Very low | 41.9 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -150.4 | 144.7 | 140.6 | -143.4 | 172.5 | -176.3 | 177.2 | 0 | 113.4 | ||||
| 91 | E | 39.1 | Very low | 41.7 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -64.3 | 160.5 | -169.8 | -51.7 | 170 | 119.7 | 0 | 0 | 115.5 | ||||
| 92 | G | 38.9 | Very low | 42.1 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 179.1 | 92.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 93 | S | 42.5 | Very low | 42.2 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 50.7 | 100.7 | 144.3 | -157.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 94 | A | 47.5 | Very low | 42.4 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | 69.2 | 115.5 | 84.7 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 95 | D | 48.1 | Very low | 42.6 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | -169.4 | 111 | 121.8 | -106.7 | -31.5 | 0 | 0 | 0 | 114.7 | |||||
| 96 | N | 49.3 | Very low | 42.4 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 38.2 | 150.6 | 149.6 | -70.9 | -59.5 | 0 | 0 | 0 | 126.1 | ||||
| 97 | P | 40.6 | Very low | 42.3 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | trans | -108.9 | 169.5 | -172.6 | 42.5 | -34.7 | 0 | 0 | 0 | 115.1 | ||||
| 98 | L | 41.5 | Very low | 41.9 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | trans | -155.4 | 139.8 | 151.2 | -137.8 | 84.6 | 0 | 0 | 0 | 111.9 | ||||
| 99 | S | 35.6 | Very low | 41.7 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -128.5 | -171.2 | 172.2 | -34.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 100 | P | 47 | Very low | 41.8 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | -129.1 | -155.6 | -35 | 32.3 | -10.3 | 0 | 0 | 0 | 111.4 | ||||
| 101 | E | 36.3 | Very low | 41.4 | Very low | 183 Ų | 183 | 132.8 Ų | 132.8 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | 94.6 | 117 | 143.9 | -157.1 | 177.6 | 151.9 | 0 | 0 | 121.7 | ||||
| 102 | S | 44.3 | Very low | 41.5 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 176.9 | 97.7 | 153.1 | 57.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 103 | N | 42.1 | Very low | 41.5 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | 52.4 | 141.2 | 94.9 | 87.2 | -37.4 | 0 | 0 | 0 | 114.5 | |||||
| 104 | E | 42.4 | Very low | 40.9 | Very low | 174 Ų | 174 | 134 Ų | 134 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | cis | -148.3 | -171 | 27.2 | -64.9 | -171.8 | 142.2 | 0 | 0 | 114.5 | ||||
| 105 | T | 38 | Very low | 40.4 | Very low | 139 Ų | 139 | 140 Ų | 140 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -104.9 | -168.6 | -156.9 | -6.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 106 | P | 39.8 | Very low | 39.5 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -116.7 | -177.1 | -140.7 | 43.3 | -26.9 | 0 | 0 | 0 | 115.4 | ||||
| 107 | L | 38.7 | Very low | 38.4 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -173.8 | 131.8 | 150 | -101.8 | 153.6 | 0 | 0 | 0 | 113.1 | ||||
| 108 | S | 36.6 | Very low | 38 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -85.5 | -167.1 | 168.6 | -33.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 109 | P | 42.4 | Very low | 37.4 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | cis | -142.7 | -139 | 15.3 | 46 | -23 | 0 | 0 | 0 | 111.9 | ||||
| 110 | P | 41.1 | Very low | 37.2 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | cis | -119.5 | 175.8 | -38.9 | 38.4 | -24.1 | 0 | 0 | 0 | 112.9 | ||||
| 111 | I | 36.8 | Very low | 36.3 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 92% | 0.923 | 80% | 0.796 | S | S | * | * | trans | -140.2 | 141.5 | 158.4 | 25.5 | 173.3 | 0 | 0 | 0 | 110 | ||||
| 112 | S | 41.7 | Very low | 35.9 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -130.6 | 158.8 | -168 | 69 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 113 | D | 39.1 | Very low | 35.1 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 72.9 | 102.4 | 152 | -47.4 | -38 | 0 | 0 | 0 | 121.3 | ||||
| 114 | D | 31 | Very low | 34.4 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -9.7 | 125.1 | 147.2 | -60 | -31.1 | 0 | 0 | 0 | 119.3 | ||||
| 115 | K | 37 | Very low | 33.8 | Very low | 213 Ų | 213 | 147.8 Ų | 147.8 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | -160.2 | 155 | 129.7 | -130.4 | 169.7 | 180 | 175.1 | 0 | 114.9 | |||||
| 116 | L | 28.4 | Very low | 33.4 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -73.8 | 167.9 | -170.5 | -63.1 | 161.4 | 0 | 0 | 0 | 115.2 | ||||
| 117 | T | 26 | Very low | 33.2 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 91.3 | 104.8 | 155.6 | 66.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 118 | S | 33.1 | Very low | 32.9 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -178.4 | 107.5 | 134.5 | 28.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 119 | E | 27.6 | Very low | 32.7 | Very low | 186 Ų | 186 | 150.2 Ų | 150.2 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | 46.5 | 88 | 85.3 | -68 | -164.2 | 138.5 | 0 | 0 | 113.2 | |||||
| 120 | Q | 33 | Very low | 32.2 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 71% | 0.71 | 81% | 0.805 | S | S | * | * | trans | -122.5 | 98.5 | 157.9 | -71.2 | -154.2 | -33.2 | 0 | 0 | 110.5 | Y122 | Q120-Y122 HydrophobicContact CB-CD2 4.32Å; Q120-Y122 HydrophobicContact CB-CE2 3.85Å; Q120-Y122 PolarHBondContact O-N 3.38Å; Q120-Y122 PolarHBondContact OE1-OH 3.5Å | ||
| 121 | N | 26.5 | Very low | 32 | Very low | 153 Ų | 153 | 155 Ų | 155 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -59.6 | 110.1 | 162.8 | -80.8 | -74 | 0 | 0 | 0 | 109.6 | S123 | N121-S123 PolarHBondContact O-N 2.89Š| ||
| 122 | Y | 28.7 | Very low | 31.9 | Very low | 199 Ų | 199 | 154.2 Ų | 154.2 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -90.8 | 96 | 164.9 | -80 | -86 | 0 | 0 | 0 | 109.4 | Q120 L124 | Q120-Y122 HydrophobicContact CB-CD2 4.32Å; Q120-Y122 HydrophobicContact CB-CE2 3.85Å; Q120-Y122 PolarHBondContact O-N 3.38Å; Q120-Y122 PolarHBondContact OE1-OH 3.5Å; Y122-L124 PolarHBondContact O-N 3.28Å | ||
| 123 | S | 26.6 | Very low | 31.8 | Very low | 91 Ų | 91 | 157.2 Ų | 157.2 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -64.5 | 112.8 | 170.7 | -81.7 | 0 | 0 | 0 | 0 | 110 | N121 R125 | N121-S123 PolarHBondContact O-N 2.89Å; S123-R125 PolarHBondContact O-N 3.27Å; S123-R125 VanDerWaalsContact O-N 3.1Å | ||
| 124 | L | 27.4 | Very low | 32 | Very low | 175 Ų | 175 | 157.1 Ų | 157.1 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -75.6 | 95.5 | 169.4 | -165.1 | 150 | 0 | 0 | 0 | 108.3 | Y122 | Y122-L124 PolarHBondContact O-N 3.28Š| ||
| 125 | R | 30 | Very low | 32.6 | Very low | 192 Ų | 192 | 152.7 Ų | 152.7 | 73% | 0.725 | 78% | 0.779 | S | S | * | * | trans | -129.7 | 137.3 | 172.3 | -64.2 | -172.9 | -170.7 | -88.8 | -0.3 | 109.5 | S123 | S123-R125 PolarHBondContact O-N 3.27Å; S123-R125 VanDerWaalsContact O-N 3.1Å | ||
| 126 | D | 30.5 | Very low | 33 | Very low | 159 Ų | 159 | 146 Ų | 146 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | 60 | 69.3 | 160.4 | -46.9 | -26.9 | 0 | 0 | 0 | 117.1 | ||||
| 127 | I | 34.8 | Very low | 33.7 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -107.9 | 127.1 | 155.8 | -62.5 | 179 | 0 | 0 | 0 | 108.2 | ||||
| 128 | G | 32.2 | Very low | 34.7 | Very low | 71 Ų | 71 | 145.1 Ų | 145.1 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | trans | -61.7 | 145.1 | -160.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | E130 | G128-E130 PolarHBondContact O-N 3.39Š| ||
| 129 | Q | 33.8 | Very low | 35.4 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -72.8 | 10.6 | -168.9 | -165.4 | 175.7 | -32.3 | 0 | 0 | 115.9 | ||
| 130 | E | 31.3 | Very low | 36.4 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -113 | 1.7 | -149.6 | -144.4 | 173.5 | -179 | 0 | 0 | 118 | G128 | G128-E130 PolarHBondContact O-N 3.39Š|
| 131 | N | 36.4 | Very low | 37 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -138.8 | 19.4 | -173.7 | -124.2 | -14.2 | 0 | 0 | 0 | 117.7 | ||
| 132 | W | 34.7 | Very low | 37.9 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 63% | 0.625 | 69% | 0.694 | S | S | * | * | trans | -81.9 | -26.1 | -170.8 | 64.9 | -86.8 | 0 | 0 | 0 | 115.9 | N134 A135 | W132-N134 PolarHBondContact O-N 3.27Å; W132-N134 VanDerWaalsContact O-N 3.1Å; W132-A135 PolarHBondContact O-N 3.16Å | ||
| 133 | K | 40.2 | Very low | 38.8 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -16.3 | -168 | -72.4 | -172.8 | 174 | -178 | 0 | 116.2 | ||
| 134 | N | 44.1 | Very low | 39.8 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -10.1 | -173 | -63.1 | -17.7 | 0 | 0 | 0 | 114 | W132 | W132-N134 PolarHBondContact O-N 3.27Å; W132-N134 VanDerWaalsContact O-N 3.1Å |
| 135 | A | 43.3 | Very low | 40.7 | Very low | 70 Ų | 70 | 119.5 Ų | 119.5 | 58% | 0.579 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -86.8 | -15.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | W132 | W132-A135 PolarHBondContact O-N 3.16Š|
| 136 | C | 43.6 | Very low | 41.6 | Very low | 71 Ų | 71 | 113.3 Ų | 113.3 | 48% | 0.48 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -143.8 | 109.2 | 177.7 | -87.6 | 0 | 0 | 0 | 0 | 110.5 | E138 | C136-E138 PolarHBondContact O-N 3Å; C136-E138 VanDerWaalsContact O-N 3.1Å |
| 137 | P | 44.4 | Very low | 42.6 | Very low | 105 Ų | 105 | 111.8 Ų | 111.8 | 68% | 0.682 | 59% | 0.588 | S | S | * | * | trans | -68.6 | 108.3 | 170.3 | 27.3 | -32 | 0 | 0 | 0 | 109.6 | N139 | P137-N139 PolarHBondContact O-N 3Š| ||
| 138 | E | 47.2 | Very low | 43.2 | Very low | 168 Ų | 168 | 105 Ų | 105 | 79% | 0.785 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 1.5 | -168.6 | -156.3 | 164.7 | -163.3 | 0 | 0 | 114.6 | C136 | C136-E138 PolarHBondContact O-N 3Å; C136-E138 VanDerWaalsContact O-N 3.1Å |
| 139 | N | 46.7 | Very low | 43.8 | Very low | 144 Ų | 144 | 103.1 Ų | 103.1 | 77% | 0.77 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 3.9 | -164.8 | 62.6 | 7.6 | 0 | 0 | 0 | 116.1 | P137 | P137-N139 PolarHBondContact O-N 3Š|
| 140 | N | 50 | Low | 44.3 | Very low | 80 Ų | 80 | 97.8 Ų | 97.8 | 43% | 0.428 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -110.7 | 14.1 | 178.2 | -167.4 | 13.4 | 0 | 0 | 0 | 113.8 | T144 | N140-T144 PolarHBondContact O-N 3.38Å; N140-T144 PolarHBondContact O-OG1 3.32Å |
| 141 | W | 44.3 | Very low | 44.7 | Very low | 80 Ų | 80 | 92.6 Ų | 92.6 | 30% | 0.303 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -57.6 | 179.1 | -178.6 | -116.4 | 0 | 0 | 0 | 111.6 | N143 T144 V145 G244 I258 | W141-N143 PolarHBondContact O-N 3.2Å; W141-T144 PolarHBondContact O-N 3.09Å; W141-V145 HydrophobicContact CD2-CG2 3.81Å; W141-V145 VanDerWaalsContact CE2-CG2 3.44Å; W141-V145 HydrophobicContact CE3-CG2 4.12Å; W141-V145 HydrophobicContact CG-CG2 4.46Å; W141-V145 HydrophobicContact CH2-CG2 3.71Å; W141-V145 HydrophobicContact CZ2-CG2 3.4Å; W141-V145 HydrophobicContact CZ3-CG2 4.07Å; W141-V145 WeakPolarHBondContact O-CG2 3.26Å; W141-V145 PolarHBondContact O-N 3.24Å; W141-G244 VanDerWaalsContact CZ3-CA 3.43Å; W141-I258 HydrophobicContact CH2-CG2 4.17Å; W141-I258 HydrophobicContact CZ3-CG1 4.31Å |
| 142 | N | 45.8 | Very low | 45 | Very low | 88 Ų | 88 | 86.8 Ų | 86.8 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | -173.8 | -66.3 | 1.2 | 0 | 0 | 0 | 112.1 | T144 V145 N146 | N142-T144 PolarHBondContact O-N 3.21Å; N142-V145 PolarHBondContact O-N 3.09Å; N142-N146 WeakPolarHBondContact O-CB 3.43Å; N142-N146 PolarHBondContact O-N 3.39Å; N142-N146 PolarHBondContact O-ND2 2.99Å; N142-N146 PolarHBondContact O-OD1 2.86Å |
| 143 | N | 48.3 | Very low | 45.2 | Very low | 88 Ų | 88 | 84 Ų | 84 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 177.5 | -177.4 | 4.5 | 0 | 0 | 0 | 112.3 | W141 V145 N146 Q147 | W141-N143 PolarHBondContact O-N 3.2Å; N143-V145 PolarHBondContact O-N 2.87Å; N143-N146 PolarHBondContact O-N 3.26Å; N143-Q147 PolarHBondContact O-N 2.83Å; N143-Q147 VanDerWaalsContact O-N 3.16Å; N143-Q147 PolarHBondContact OD1-NE2 3.39Å |
| 144 | T | 46.8 | Very low | 45.3 | Very low | 29 Ų | 29 | 83.2 Ų | 83.2 | 18% | 0.178 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 177.4 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | N140 W141 N142 Q147 I148 K256 I258 | N140-T144 PolarHBondContact O-N 3.38Å; N140-T144 PolarHBondContact O-OG1 3.32Å; W141-T144 PolarHBondContact O-N 3.09Å; N142-T144 PolarHBondContact O-N 3.21Å; T144-Q147 PolarHBondContact O-N 2.87Å; T144-I148 HydrophobicContact CG2-CD1 3.92Å; T144-I148 WeakPolarHBondContact O-CG1 3.47Å; T144-I148 PolarHBondContact O-N 3.34Å; T144-K256 PolarHBondContact OG1-NZ 3.26Å; T144-I258 HydrophobicContact CG2-CD1 3.86Å |
| 145 | V | 46.5 | Very low | 45.1 | Very low | 15 Ų | 15 | 80.1 Ų | 80.1 | 9% | 0.091 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 179.8 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | W141 N142 N143 Q147 I148 V149 F240 | W141-V145 HydrophobicContact CD2-CG2 3.81Å; W141-V145 VanDerWaalsContact CE2-CG2 3.44Å; W141-V145 HydrophobicContact CE3-CG2 4.12Å; W141-V145 HydrophobicContact CG-CG2 4.46Å; W141-V145 HydrophobicContact CH2-CG2 3.71Å; W141-V145 HydrophobicContact CZ2-CG2 3.4Å; W141-V145 HydrophobicContact CZ3-CG2 4.07Å; W141-V145 WeakPolarHBondContact O-CG2 3.26Å; W141-V145 PolarHBondContact O-N 3.24Å; N142-V145 PolarHBondContact O-N 3.09Å; N143-V145 PolarHBondContact O-N 2.87Å; V145-Q147 PolarHBondContact O-N 3.22Å; V145-I148 PolarHBondContact O-N 3.13Å; V145-V149 HydrophobicContact CG1-CG2 3.79Å; V145-V149 WeakPolarHBondContact O-CG2 3.45Å; V145-V149 PolarHBondContact O-N 2.85Å; V145-F240 HydrophobicContact CG1-CE1 3.84Å |
| 146 | N | 49.4 | Very low | 44.9 | Very low | 61 Ų | 61 | 79.4 Ų | 79.4 | 33% | 0.326 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.2 | -22.8 | -178.7 | -67.8 | -12.4 | 0 | 0 | 0 | 113.5 | N142 N143 P150 N213 | N142-N146 WeakPolarHBondContact O-CB 3.43Å; N142-N146 PolarHBondContact O-N 3.39Å; N142-N146 PolarHBondContact O-ND2 2.99Å; N142-N146 PolarHBondContact O-OD1 2.86Å; N143-N146 PolarHBondContact O-N 3.26Å; N146-P150 WeakPolarHBondContact O-CD 3.24Å; N146-P150 WeakPolarHBondContact O-CG 3.42Å; N146-N213 PolarHBondContact ND2-ND2 3.1Å; N146-N213 PolarHBondContact OD1-ND2 3.46Å |
| 147 | Q | 50.3 | Low | 44.5 | Very low | 128 Ų | 128 | 79 Ų | 79 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -87.7 | -22.3 | 171.3 | -69.5 | -166.1 | 57.2 | 0 | 0 | 113.9 | N143 T144 V145 N151 | N143-Q147 PolarHBondContact O-N 2.83Å; N143-Q147 VanDerWaalsContact O-N 3.16Å; N143-Q147 PolarHBondContact OD1-NE2 3.39Å; T144-Q147 PolarHBondContact O-N 2.87Å; V145-Q147 PolarHBondContact O-N 3.22Å; Q147-N151 PolarHBondContact O-ND2 3.27Å; Q147-N151 VanDerWaalsContact O-ND2 3.17Å |
| 148 | I | 48.9 | Very low | 44.1 | Very low | 26 Ų | 26 | 80.6 Ų | 80.6 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -82.1 | -40.2 | 175.5 | -64.7 | 166.8 | 0 | 0 | 0 | 110.6 | T144 V145 N151 V152 I258 I260 | T144-I148 HydrophobicContact CG2-CD1 3.92Å; T144-I148 WeakPolarHBondContact O-CG1 3.47Å; T144-I148 PolarHBondContact O-N 3.34Å; V145-I148 PolarHBondContact O-N 3.13Å; I148-N151 WeakPolarHBondContact O-CB 3.26Å; I148-N151 PolarHBondContact O-N 2.74Å; I148-N151 VanDerWaalsContact O-N 3.09Å; I148-V152 HydrophobicContact CG2-CG2 3.71Å; I148-V152 WeakPolarHBondContact O-CG2 3.19Å; I148-V152 PolarHBondContact O-N 3.16Å; I148-I258 HydrophobicContact CD1-CD1 3.62Å; I148-I260 HydrophobicContact CG2-CD1 3.66Å |
| 149 | V | 44.8 | Very low | 43.4 | Very low | 31 Ų | 31 | 77.5 Ų | 77.5 | 19% | 0.188 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -52.4 | -54.8 | -177.1 | 164.1 | 0 | 0 | 0 | 0 | 112.8 | V145 N151 V152 I153 F240 | V145-V149 HydrophobicContact CG1-CG2 3.79Å; V145-V149 WeakPolarHBondContact O-CG2 3.45Å; V145-V149 PolarHBondContact O-N 2.85Å; V149-N151 VanDerWaalsContact C-N 3.28Å; V149-N151 PolarHBondContact O-N 3.29Å; V149-V152 PolarHBondContact O-N 2.82Å; V149-I153 HydrophobicContact CG1-CD1 3.62Å; V149-I153 WeakPolarHBondContact O-CB 3.42Å; V149-I153 VanDerWaalsContact O-CG1 3.27Å; V149-I153 WeakPolarHBondContact O-CG1 3.34Å; V149-I153 PolarHBondContact O-N 2.95Å; V149-F240 HydrophobicContact CG2-CD1 3.86Å; V149-F240 HydrophobicContact CG2-CD2 4.43Å; V149-F240 HydrophobicContact CG2-CE1 3.39Å; V149-F240 HydrophobicContact CG2-CE2 4.01Å; V149-F240 HydrophobicContact CG2-CG 4.35Å; V149-F240 HydrophobicContact CG2-CZ 3.47Å; V149-F240 VanDerWaalsContact CG2-CZ 3.47Å |
| 150 | P | 43.6 | Very low | 42.6 | Very low | 76 Ų | 76 | 76.3 Ų | 76.3 | 49% | 0.494 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.9 | -34.6 | 178.3 | -21.5 | 32.7 | 0 | 0 | 0 | 112.7 | N146 R154 | N146-P150 WeakPolarHBondContact O-CD 3.24Å; N146-P150 WeakPolarHBondContact O-CG 3.42Å; P150-R154 WeakPolarHBondContact O-CB 3.49Å; P150-R154 PolarHBondContact O-N 3.03Å |
| 151 | N | 39.9 | Very low | 41.5 | Very low | 73 Ų | 73 | 79.5 Ų | 79.5 | 39% | 0.39 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.1 | -42.4 | 177.9 | -91.1 | -52.3 | 0 | 0 | 0 | 112.1 | Q147 I148 V149 R154 N155 | Q147-N151 PolarHBondContact O-ND2 3.27Å; Q147-N151 VanDerWaalsContact O-ND2 3.17Å; I148-N151 WeakPolarHBondContact O-CB 3.26Å; I148-N151 PolarHBondContact O-N 2.74Å; I148-N151 VanDerWaalsContact O-N 3.09Å; V149-N151 VanDerWaalsContact C-N 3.28Å; V149-N151 PolarHBondContact O-N 3.29Å; N151-R154 PolarHBondContact OD1-NH2 2.79Å; N151-N155 WeakPolarHBondContact O-CB 3.42Å; N151-N155 PolarHBondContact O-N 3.3Å; N151-N155 PolarHBondContact O-ND2 2.82Å |
| 152 | V | 42.8 | Very low | 40.8 | Very low | 20 Ų | 20 | 83.9 Ų | 83.9 | 12% | 0.121 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | I148 V149 N155 H156 I260 F286 | I148-V152 HydrophobicContact CG2-CG2 3.71Å; I148-V152 WeakPolarHBondContact O-CG2 3.19Å; I148-V152 PolarHBondContact O-N 3.16Å; V149-V152 PolarHBondContact O-N 2.82Å; V152-N155 PolarHBondContact O-N 2.81Å; V152-H156 PolarHBondContact O-N 3.24Å; V152-H156 VanDerWaalsContact O-N 3.09Å; V152-I260 HydrophobicContact CG2-CD1 4.46Å; V152-F286 HydrophobicContact CG1-CD2 4.37Å; V152-F286 HydrophobicContact CG1-CE1 4.31Å; V152-F286 HydrophobicContact CG1-CE2 3.99Å; V152-F286 HydrophobicContact CG1-CZ 3.96Å |
| 153 | I | 38.4 | Very low | 40 | Very low | 106 Ų | 106 | 86.6 Ų | 86.6 | 54% | 0.544 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 175.9 | -67.6 | 167.1 | 0 | 0 | 0 | 110.7 | V149 N155 H156 G157 | V149-I153 HydrophobicContact CG1-CD1 3.62Å; V149-I153 WeakPolarHBondContact O-CB 3.42Å; V149-I153 VanDerWaalsContact O-CG1 3.27Å; V149-I153 WeakPolarHBondContact O-CG1 3.34Å; V149-I153 PolarHBondContact O-N 2.95Å; I153-N155 PolarHBondContact O-N 2.99Å; I153-H156 PolarHBondContact O-N 3.42Å; I153-H156 VanDerWaalsContact O-N 3.09Å; I153-G157 PolarHBondContact O-N 2.94Å |
| 154 | R | 41.2 | Very low | 39.3 | Very low | 145 Ų | 145 | 90.6 Ų | 90.6 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 176.8 | 178.7 | 170.7 | 59.3 | 170.8 | -0.6 | 112.4 | P150 N151 H156 G157 E158 | P150-R154 WeakPolarHBondContact O-CB 3.49Å; P150-R154 PolarHBondContact O-N 3.03Å; N151-R154 PolarHBondContact OD1-NH2 2.79Å; R154-H156 PolarHBondContact O-N 3.29Å; R154-G157 PolarHBondContact O-N 3.45Å; R154-E158 WeakPolarHBondContact CG-OE1 3.39Å; R154-E158 WeakPolarHBondContact O-CG 3.38Å; R154-E158 PolarHBondContact O-N 2.73Å |
| 155 | N | 40.3 | Very low | 38.6 | Very low | 79 Ų | 79 | 92 Ų | 92 | 42% | 0.422 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -19 | 177.5 | -82.1 | -93 | 0 | 0 | 0 | 113.5 | N151 V152 I153 K308 | N151-N155 WeakPolarHBondContact O-CB 3.42Å; N151-N155 PolarHBondContact O-N 3.3Å; N151-N155 PolarHBondContact O-ND2 2.82Å; V152-N155 PolarHBondContact O-N 2.81Å; I153-N155 PolarHBondContact O-N 2.99Å; N155-K308 PolarHBondContact OD1-NZ 3.01Å |
| 156 | H | 39.4 | Very low | 38 | Very low | 54 Ų | 54 | 96.2 Ų | 96.2 | 25% | 0.25 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -91.8 | -36 | 174.8 | -153.4 | -65.6 | 0 | 0 | 0 | 112.1 | V152 I153 R154 E158 T159 R264 D284 | V152-H156 PolarHBondContact O-N 3.24Å; V152-H156 VanDerWaalsContact O-N 3.09Å; I153-H156 PolarHBondContact O-N 3.42Å; I153-H156 VanDerWaalsContact O-N 3.09Å; R154-H156 PolarHBondContact O-N 3.29Å; H156-E158 VanDerWaalsContact C-N 3.29Å; H156-E158 PolarHBondContact O-N 3.37Å; H156-T159 PolarHBondContact O-N 3.14Å; H156-R264 VanDerWaalsContact CE1-CZ 3.48Å; H156-R264 PolarHBondContact CE1-NH2 3.4Å; H156-R264 PolarHBondContact ND1-NH2 3.04Å; H156-D284 IonicContact CD2-OD2 2.76Å; H156-D284 IonicContact NE2-OD2 2.04Å; H156-D284 PolarHBondContact NE2-OD2 2.64Å |
| 157 | G | 35.9 | Very low | 37.3 | Very low | 64 Ų | 64 | 103.6 Ų | 103.6 | 66% | 0.66 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.2 | -23.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I153 R154 T159 | I153-G157 PolarHBondContact O-N 2.94Å; R154-G157 PolarHBondContact O-N 3.45Å; G157-T159 PolarHBondContact O-N 2.74Å |
| 158 | E | 34.8 | Very low | 36.6 | Very low | 138 Ų | 138 | 104.2 Ų | 104.2 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 9.4 | 178.4 | -70.2 | 171.1 | -165.9 | 0 | 0 | 113.6 | R154 H156 | R154-E158 WeakPolarHBondContact CG-OE1 3.39Å; R154-E158 WeakPolarHBondContact O-CG 3.38Å; R154-E158 PolarHBondContact O-N 2.73Å; H156-E158 VanDerWaalsContact C-N 3.29Å; H156-E158 PolarHBondContact O-N 3.37Å |
| 159 | T | 32.6 | Very low | 36 | Very low | 102 Ų | 102 | 109.1 Ų | 109.1 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -142.8 | 66.5 | 179.8 | -52.8 | 0 | 0 | 0 | 0 | 112.6 | H156 G157 | H156-T159 PolarHBondContact O-N 3.14Å; G157-T159 PolarHBondContact O-N 2.74Å |
| 160 | E | 30.9 | Very low | 35.6 | Very low | 119 Ų | 119 | 112.2 Ų | 112.2 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | trans | -178.1 | 71.4 | 148.3 | -101.7 | 162.1 | -152.1 | 0 | 0 | 110.6 | Y162 | E160-Y162 HydrophobicContact CB-CD2 4.07Å; E160-Y162 HydrophobicContact CB-CE2 4.06Å; E160-Y162 HydrophobicContact CG-CD2 4.18Å; E160-Y162 HydrophobicContact CG-CE2 3.67Å; E160-Y162 PolarHBondContact O-N 2.87Å | ||
| 161 | V | 27.1 | Very low | 35.7 | Very low | 147 Ų | 147 | 117.5 Ų | 117.5 | 89% | 0.891 | 62% | 0.62 | S | S | * | * | trans | -73.4 | 83.8 | 166.8 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | N163 | V161-N163 PolarHBondContact O-N 2.78Å; V161-N163 VanDerWaalsContact O-N 3.13Å | ||
| 162 | Y | 29.2 | Very low | 35.5 | Very low | 172 Ų | 172 | 121.1 Ų | 121.1 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | trans | -71.7 | 103.4 | 166.9 | -84.4 | -77.2 | 0 | 0 | 0 | 109.5 | E160 M164 | E160-Y162 HydrophobicContact CB-CD2 4.07Å; E160-Y162 HydrophobicContact CB-CE2 4.06Å; E160-Y162 HydrophobicContact CG-CD2 4.18Å; E160-Y162 HydrophobicContact CG-CE2 3.67Å; E160-Y162 PolarHBondContact O-N 2.87Å; Y162-M164 PolarHBondContact O-N 2.04Å | ||
| 163 | N | 29.5 | Very low | 35.3 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | trans | -64.6 | 76.8 | 168.2 | -179.8 | 22.7 | 0 | 0 | 0 | 110.4 | V161 G165 | V161-N163 PolarHBondContact O-N 2.78Å; V161-N163 VanDerWaalsContact O-N 3.13Å; N163-G165 PolarHBondContact O-N 2.91Å | ||
| 164 | M | 33.3 | Very low | 35.3 | Very low | 171 Ų | 171 | 125.3 Ų | 125.3 | 84% | 0.842 | 67% | 0.669 | S | S | * | * | trans | -72.2 | 95.8 | 166.9 | -80.6 | -171.6 | -87 | 0 | 0 | 108.1 | Y162 S166 | Y162-M164 PolarHBondContact O-N 2.04Å; M164-S166 PolarHBondContact O-N 3.24Å | ||
| 165 | G | 30.9 | Very low | 35 | Very low | 59 Ų | 59 | 126.8 Ų | 126.8 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | trans | -57.9 | 120.7 | -170 | 0 | 0 | 0 | 0 | 0 | 113.2 | N163 R167 | N163-G165 PolarHBondContact O-N 2.91Å; G165-R167 PolarHBondContact O-N 2.8Å; G165-R167 VanDerWaalsContact O-N 3.11Å | ||
| 166 | S | 34 | Very low | 34.8 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -56.4 | 111.6 | 165.6 | 151.2 | 0 | 0 | 0 | 0 | 110.1 | M164 | M164-S166 PolarHBondContact O-N 3.24Š| ||
| 167 | R | 35.5 | Very low | 34.7 | Very low | 216 Ų | 216 | 133.3 Ų | 133.3 | 82% | 0.815 | 72% | 0.724 | S | S | * | * | trans | -128 | 90.4 | 157.5 | -174.2 | 171.3 | 166.4 | 166 | -4.6 | 109.8 | G165 D169 | G165-R167 PolarHBondContact O-N 2.8Å; G165-R167 VanDerWaalsContact O-N 3.11Å; R167-D169 IonicContact NH2-OD2 3.67Å | ||
| 168 | N | 34.7 | Very low | 35 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | -63.4 | 132 | 163.3 | -57.6 | -43.1 | 0 | 0 | 0 | 109 | ||||
| 169 | D | 37.1 | Very low | 35.2 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | trans | -148.9 | 112.1 | 153.7 | -121 | -31.6 | 0 | 0 | 0 | 106.4 | R167 | R167-D169 IonicContact NH2-OD2 3.67Š| ||
| 170 | P | 36.8 | Very low | 36.1 | Very low | 97 Ų | 97 | 146.5 Ų | 146.5 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | trans | -82.2 | 140.1 | 176.7 | 33.3 | -31.2 | 0 | 0 | 0 | 109.3 | ||||
| 171 | H | 45.3 | Very low | 36.8 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | 177.2 | 138.3 | 133.9 | -94.6 | -58.4 | 0 | 0 | 0 | 113.3 | ||||
| 172 | N | 36.4 | Very low | 37.3 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 77.7 | 142.2 | 151.8 | -153.1 | 31 | 0 | 0 | 0 | 119.2 | ||||
| 173 | S | 36.8 | Very low | 38.1 | Very low | 81 Ų | 81 | 147.7 Ų | 147.7 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | trans | -98.9 | 166.7 | -173.2 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 174 | D | 39.4 | Very low | 39 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | 178.5 | 133.1 | 107.1 | -82.8 | -15.7 | 0 | 0 | 0 | 113 | |||||
| 175 | E | 34.1 | Very low | 39.5 | Very low | 175 Ų | 175 | 147 Ų | 147 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 31.4 | 109.6 | 138.8 | -165.8 | 169.9 | -159.4 | 0 | 0 | 120.8 | ||||
| 176 | I | 37.6 | Very low | 40 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | trans | -140.7 | 121.2 | 130.8 | 44.7 | 170.3 | 0 | 0 | 0 | 111 | ||||
| 177 | S | 36 | Very low | 39.9 | Very low | 93 Ų | 93 | 154.8 Ų | 154.8 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | -102.6 | 135.7 | 170.5 | 149 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 178 | Y | 42.8 | Very low | 40.3 | Very low | 230 Ų | 230 | 150 Ų | 150 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -133.8 | 126.9 | 161.8 | -121.4 | -92.7 | 0 | 0 | 0 | 111.1 | ||||
| 179 | K | 39.4 | Very low | 40.5 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -99.5 | 139.9 | 167.9 | -70.7 | -83.3 | -171.9 | 176.2 | 0 | 107.3 | ||||
| 180 | D | 51 | Low | 40.9 | Very low | 163 Ų | 163 | 152 Ų | 152 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -150 | 168.5 | 149.8 | -156.6 | 7.2 | 0 | 0 | 0 | 111 | ||||
| 181 | E | 46.7 | Very low | 41 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -113.8 | 151.1 | -139.6 | -159.1 | 172.9 | 167.4 | 0 | 0 | 115.3 | ||||
| 182 | K | 37.7 | Very low | 40.7 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | trans | -35.5 | 122.5 | 169.7 | -179.2 | -177.5 | -174.4 | 176.6 | 0 | 115.8 | ||||
| 183 | S | 45.9 | Very low | 40.6 | Very low | 116 Ų | 116 | 156.3 Ų | 156.3 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -120.6 | 140 | 152.7 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 184 | K | 47.7 | Very low | 40.4 | Very low | 176 Ų | 176 | 158 Ų | 158 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | trans | -93.7 | 149 | 178.4 | -76.3 | -165 | 175.5 | -168.1 | 0 | 110.6 | ||||
| 185 | P | 43.6 | Very low | 40.4 | Very low | 127 Ų | 127 | 158 Ų | 158 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -72.3 | 149.6 | 162 | 32.6 | -33 | 0 | 0 | 0 | 110.7 | ||||
| 186 | V | 41.6 | Very low | 40.2 | Very low | 140 Ų | 140 | 154.5 Ų | 154.5 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -109.9 | 135.6 | 170.3 | 163.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 187 | E | 32.4 | Very low | 40.1 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -72.6 | 146.4 | 173.9 | -68.3 | 161.8 | 140.1 | 0 | 0 | 111 | ||||
| 188 | S | 43.3 | Very low | 39.8 | Very low | 115 Ų | 115 | 157.2 Ų | 157.2 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -147.2 | 109.2 | 154.7 | 60.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 189 | D | 38.5 | Very low | 39.4 | Very low | 149 Ų | 149 | 154 Ų | 154 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -60.6 | 147.4 | 159.9 | -64.7 | -59.5 | 0 | 0 | 0 | 109.5 | ||||
| 190 | D | 46.7 | Very low | 39 | Very low | 164 Ų | 164 | 152 Ų | 152 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | -167.9 | 127.5 | 135 | -99.6 | -25.6 | 0 | 0 | 0 | 110.6 | ||||
| 191 | D | 38.1 | Very low | 38 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | -48.5 | 126.8 | -175.3 | -63.7 | -51.3 | 0 | 0 | 0 | 116.3 | ||||
| 192 | Q | 40.1 | Very low | 37.3 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -155.2 | 91.9 | 139.5 | -122.6 | -179.8 | -106.4 | 0 | 0 | 115.8 | ||||
| 193 | K | 33.4 | Very low | 37 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | trans | 43.4 | 100 | 130.6 | -162.8 | 174.6 | -178.7 | -178 | 0 | 118.3 | ||||
| 194 | S | 33.1 | Very low | 36.2 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -77.7 | 116.2 | 164.6 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 195 | D | 38.1 | Very low | 35.4 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -85.2 | 116.7 | 166.5 | -74.2 | -30.4 | 0 | 0 | 0 | 109.5 | I197 | D195-I197 PolarHBondContact O-N 3.05Š| ||
| 196 | A | 29.9 | Very low | 34.8 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -79 | 115.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 197 | I | 35.7 | Very low | 34.1 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -87 | 111.1 | 170.3 | -59.5 | 177.4 | 0 | 0 | 0 | 108.4 | D195 L199 | D195-I197 PolarHBondContact O-N 3.05Å; I197-L199 PolarHBondContact O-N 2.91Å | ||
| 198 | L | 30 | Very low | 33.9 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 119.6 | 166.2 | -77.6 | 164.5 | 0 | 0 | 0 | 108.8 | ||
| 199 | L | 35.6 | Very low | 33.2 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 128.6 | 171.4 | -93.7 | 163.2 | 0 | 0 | 0 | 110.4 | I197 | I197-L199 PolarHBondContact O-N 2.91Š|
| 200 | D | 29.4 | Very low | 32.7 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 146.8 | 177.4 | -168.6 | 17.9 | 0 | 0 | 0 | 111.5 | ||
| 201 | A | 29.8 | Very low | 31.8 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -112.3 | 42.8 | -156.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 202 | D | 33.5 | Very low | 31.3 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -131.2 | 30.3 | -176 | -97.1 | -33.2 | 0 | 0 | 0 | 114.5 | ||||
| 203 | S | 30.4 | Very low | 30.9 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -105.6 | 126.3 | 170.7 | -73.2 | 0 | 0 | 0 | 0 | 111.6 | S205 | S203-S205 PolarHBondContact O-N 3.21Š| ||
| 204 | P | 30.1 | Very low | 30.7 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -69.9 | 98.6 | 177.2 | 28.7 | -33.2 | 0 | 0 | 0 | 109.4 | Y206 | P204-Y206 PolarHBondContact O-N 3.22Š| ||
| 205 | S | 29.5 | Very low | 30.8 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | trans | -62.8 | 107.2 | 173.2 | 62.8 | 0 | 0 | 0 | 0 | 109 | S203 Q207 | S203-S205 PolarHBondContact O-N 3.21Å; S205-Q207 PolarHBondContact O-N 3.44Å | ||
| 206 | Y | 32 | Very low | 30.4 | Very low | 208 Ų | 208 | 135.5 Ų | 135.5 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | trans | -60.7 | 93.6 | 154.4 | -70.8 | -81.2 | 0 | 0 | 0 | 106.5 | P204 I208 | P204-Y206 PolarHBondContact O-N 3.22Å; Y206-I208 PolarHBondContact O-N 3.4Å | ||
| 207 | Q | 26.5 | Very low | 30.6 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -71.1 | 85.6 | 175.5 | -69.3 | -170.2 | 21.6 | 0 | 0 | 107.9 | S205 S209 | S205-Q207 PolarHBondContact O-N 3.44Å; Q207-S209 PolarHBondContact O-N 2.92Å | ||
| 208 | I | 28.7 | Very low | 30.3 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -65.6 | 92.6 | 164.2 | -54.6 | 171.5 | 0 | 0 | 0 | 105.3 | Y206 S210 | Y206-I208 PolarHBondContact O-N 3.4Å; I208-S210 PolarHBondContact O-N 3.27Å | ||
| 209 | S | 28 | Very low | 30.6 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | trans | -66.8 | 80.7 | 177.4 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | Q207 S211 | Q207-S209 PolarHBondContact O-N 2.92Å; S209-S211 PolarHBondContact O-N 2.9Å | ||
| 210 | S | 27.4 | Very low | 30.3 | Very low | 122 Ų | 122 | 134 Ų | 134 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -73.6 | 68 | 168.2 | 170.9 | 0 | 0 | 0 | 0 | 109.4 | I208 | I208-S210 PolarHBondContact O-N 3.27Š| ||
| 211 | S | 27.9 | Very low | 30.6 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | trans | -142.3 | 135.6 | 174.2 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | S209 | S209-S211 PolarHBondContact O-N 2.9Š| ||
| 212 | E | 28.3 | Very low | 30.7 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | 77.5 | 72.9 | 153.4 | -153.6 | 157.8 | -139.3 | 0 | 0 | 118.3 | ||||
| 213 | N | 31.8 | Very low | 31.2 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 52% | 0.524 | 75% | 0.75 | S | S | . | * | trans | -162.7 | 51.7 | 131.5 | 69.2 | -16.4 | 0 | 0 | 0 | 114.8 | N146 N215 | N146-N213 PolarHBondContact ND2-ND2 3.1Å; N146-N213 PolarHBondContact OD1-ND2 3.46Å; N213-N215 PolarHBondContact O-N 3.21Å | ||
| 214 | L | 29.9 | Very low | 31.3 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 96% | 0.963 | 75% | 0.754 | S | S | * | * | trans | -72.2 | 68 | 151.5 | -72.4 | 179.2 | 0 | 0 | 0 | 108.8 | E216 | L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.92Å | ||
| 215 | N | 34.7 | Very low | 31.8 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -76.9 | 86 | 176 | -169.8 | 101.9 | 0 | 0 | 0 | 109.1 | N213 F217 | N213-N215 PolarHBondContact O-N 3.21Å; N215-F217 PolarHBondContact O-N 2.84Å | ||
| 216 | E | 29.5 | Very low | 32.2 | Very low | 155 Ų | 155 | 142 Ų | 142 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | 8.7 | 99.6 | 137.5 | -159.2 | 168.4 | -149.4 | 0 | 0 | 113.6 | L214 D218 | L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.92Å; E216-D218 HydrophobicContact CG-CB 4.24Å; E216-D218 PolarHBondContact O-N 3.27Å | ||
| 217 | F | 33.4 | Very low | 32.7 | Very low | 214 Ų | 214 | 137 Ų | 137 | 94% | 0.939 | 75% | 0.752 | S | S | * | * | trans | -81.8 | 68.2 | 171.6 | -131 | -77.7 | 0 | 0 | 0 | 107.9 | N215 G219 | N215-F217 PolarHBondContact O-N 2.84Å; F217-G219 VanDerWaalsContact C-N 3.34Å; F217-G219 PolarHBondContact O-N 3.15Å | ||
| 218 | D | 29.4 | Very low | 33.4 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -71.4 | 92.1 | 177.2 | -161.1 | 20.9 | 0 | 0 | 0 | 109 | E216 | E216-D218 HydrophobicContact CG-CB 4.24Å; E216-D218 PolarHBondContact O-N 3.27Å | ||
| 219 | G | 36.8 | Very low | 34 | Very low | 53 Ų | 53 | 134.9 Ų | 134.9 | 55% | 0.546 | 75% | 0.748 | S | S | . | * | trans | -106.9 | 98.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | F217 V221 | F217-G219 VanDerWaalsContact C-N 3.34Å; F217-G219 PolarHBondContact O-N 3.15Å; G219-V221 VanDerWaalsContact C-N 3.35Å; G219-V221 PolarHBondContact O-N 2.9Å | ||
| 220 | D | 29.5 | Very low | 34.3 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | -53.8 | 91.7 | 173.3 | -100 | -38.7 | 0 | 0 | 0 | 111.4 | ||||
| 221 | V | 35.3 | Very low | 34.6 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -117.8 | 93.3 | 166.1 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | G219 E223 | G219-V221 VanDerWaalsContact C-N 3.35Å; G219-V221 PolarHBondContact O-N 2.9Å; V221-E223 PolarHBondContact O-N 2.7Å | ||
| 222 | S | 32.9 | Very low | 34.8 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -62 | 88.5 | 174.5 | 158 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 223 | E | 43.7 | Very low | 34.9 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -151.4 | 141.8 | 147.6 | -146.5 | 162.8 | -172.8 | 0 | 0 | 111.3 | V221 P225 | V221-E223 PolarHBondContact O-N 2.7Å; E223-P225 VanDerWaalsContact O-CD 3.24Å; E223-P225 WeakPolarHBondContact O-CD 3.4Å | ||
| 224 | K | 31.6 | Very low | 34.8 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | trans | -76.6 | 109.3 | -170.4 | 177.5 | 178.2 | 179.6 | 175.4 | 0 | 110.4 | N226 | K224-N226 PolarHBondContact O-N 2.89Š| ||
| 225 | P | 40.2 | Very low | 35.1 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | -74.9 | 115.3 | -174.7 | 30 | -33 | 0 | 0 | 0 | 111.1 | E223 | E223-P225 VanDerWaalsContact O-CD 3.24Å; E223-P225 WeakPolarHBondContact O-CD 3.4Å | ||
| 226 | N | 38.6 | Very low | 35.5 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | trans | -58.1 | 134.8 | 166.1 | 34.7 | -61.1 | 0 | 0 | 0 | 110.8 | K224 D228 | K224-N226 PolarHBondContact O-N 2.89Å; N226-D228 PolarHBondContact O-N 3.27Å | ||
| 227 | S | 43 | Very low | 36 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 4.8 | -159.3 | 55.4 | 0 | 0 | 0 | 0 | 117.4 | ||
| 228 | D | 41.9 | Very low | 36.7 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 0.3 | -167.6 | -58.1 | -21.9 | 0 | 0 | 0 | 113.1 | N226 L230 | N226-D228 PolarHBondContact O-N 3.27Å; D228-L230 PolarHBondContact O-N 2.91Å |
| 229 | D | 39.6 | Very low | 37.3 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 66% | 0.658 | 71% | 0.705 | S | S | * | * | trans | -97.7 | 34 | -174.2 | -116 | -18.8 | 0 | 0 | 0 | 114.1 | K231 | D229-K231 PolarHBondContact O-N 3.17Š| ||
| 230 | L | 34.2 | Very low | 37.7 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 89% | 0.885 | 69% | 0.69 | S | S | * | * | trans | -71.8 | 39.9 | 174.3 | -71.2 | 176.2 | 0 | 0 | 0 | 113.5 | D228 S232 | D228-L230 PolarHBondContact O-N 2.91Å; L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 2.84Å | ||
| 231 | K | 34.1 | Very low | 38.4 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 78% | 0.783 | 66% | 0.66 | S | S | * | * | trans | -79.9 | 76.8 | 172.9 | -109.6 | 177 | 180 | 171.6 | 0 | 111 | D229 N233 | D229-K231 PolarHBondContact O-N 3.17Å; K231-N233 PolarHBondContact O-N 2.98Å | ||
| 232 | S | 33.3 | Very low | 38.9 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | trans | 43.9 | 68.5 | 151.4 | 69.7 | 0 | 0 | 0 | 0 | 115.8 | L230 I234 | L230-S232 VanDerWaalsContact C-N 3.3Å; L230-S232 PolarHBondContact O-N 2.84Å; S232-I234 PolarHBondContact O-N 3.27Å | ||
| 233 | N | 28.9 | Very low | 39.6 | Very low | 149 Ų | 149 | 114.6 Ų | 114.6 | 80% | 0.797 | 60% | 0.598 | S | S | * | * | trans | -69.3 | 77.2 | 156.2 | -170.8 | 3.5 | 0 | 0 | 0 | 108.3 | K231 V235 | K231-N233 PolarHBondContact O-N 2.98Å; N233-V235 PolarHBondContact O-N 3.09Å | ||
| 234 | I | 30.2 | Very low | 39.6 | Very low | 106 Ų | 106 | 108.1 Ų | 108.1 | 54% | 0.544 | 58% | 0.58 | S | S | . | * | trans | -73.2 | 86.8 | 174.1 | -63.5 | 169.9 | 0 | 0 | 0 | 106.3 | S232 H236 | S232-I234 PolarHBondContact O-N 3.27Å; I234-H236 PolarHBondContact O-N 3.45Å | ||
| 235 | V | 37 | Very low | 40.2 | Very low | 85 Ų | 85 | 100.5 Ų | 100.5 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | trans | -60.5 | 106.4 | 168.5 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | N233 H237 | N233-V235 PolarHBondContact O-N 3.09Å; V235-H237 VanDerWaalsContact C-N 3.31Å; V235-H237 PolarHBondContact O-CD2 3.32Å; V235-H237 VanDerWaalsContact O-CD2 3.27Å; V235-H237 PolarHBondContact O-N 2.79Å | ||
| 236 | H | 41.7 | Very low | 40.2 | Very low | 155 Ų | 155 | 98.2 Ų | 98.2 | 72% | 0.718 | 53% | 0.533 | S | S | * | . | trans | -64.9 | 93.1 | 173.9 | -81.5 | -88.5 | 0 | 0 | 0 | 108.9 | I234 H238 | I234-H236 PolarHBondContact O-N 3.45Å; H236-H238 VanDerWaalsContact C-N 3.3Å; H236-H238 PolarHBondContact O-N 3Å | ||
| 237 | H | 41.7 | Very low | 40.3 | Very low | 169 Ų | 169 | 94.8 Ų | 94.8 | 78% | 0.782 | 51% | 0.514 | S | S | * | . | trans | -65.8 | 88.6 | 174.7 | -77.1 | -83.7 | 0 | 0 | 0 | 110.3 | V235 L239 | V235-H237 VanDerWaalsContact C-N 3.31Å; V235-H237 PolarHBondContact O-CD2 3.32Å; V235-H237 VanDerWaalsContact O-CD2 3.27Å; V235-H237 PolarHBondContact O-N 2.79Å; H237-L239 PolarHBondContact O-N 3.38Å | ||
| 238 | H | 47.3 | Very low | 40.4 | Very low | 75 Ų | 75 | 98.2 Ų | 98.2 | 35% | 0.347 | 52% | 0.519 | S | S | . | . | trans | -75.6 | 98.5 | 171.4 | -177.2 | -69.8 | 0 | 0 | 0 | 109.1 | H236 F240 N262 | H236-H238 VanDerWaalsContact C-N 3.3Å; H236-H238 PolarHBondContact O-N 3Å; H238-F240 PolarHBondContact O-N 2.82Å; H238-N262 VanDerWaalsContact CE1-CG 3.41Å; H238-N262 PolarHBondContact CE1-OD1 2.93Å; H238-N262 WeakPolarHBondContact NE2-CB 3.41Å | ||
| 239 | L | 41.9 | Very low | 40.6 | Very low | 104 Ų | 104 | 98.3 Ų | 98.3 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | trans | -65.9 | 106 | 175.8 | -177.2 | 62.6 | 0 | 0 | 0 | 109.7 | H237 I241 | H237-L239 PolarHBondContact O-N 3.38Å; L239-I241 HydrophobicContact CD2-CD1 4.38Å; L239-I241 HydrophobicContact CG-CG1 4.33Å | ||
| 240 | F | 45.3 | Very low | 40.8 | Very low | 53 Ų | 53 | 102 Ų | 102 | 23% | 0.232 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 119.3 | 179.8 | -173.5 | -91.3 | 0 | 0 | 0 | 109.7 | V145 V149 H238 I260 N262 | V145-F240 HydrophobicContact CG1-CE1 3.84Å; V149-F240 HydrophobicContact CG2-CD1 3.86Å; V149-F240 HydrophobicContact CG2-CD2 4.43Å; V149-F240 HydrophobicContact CG2-CE1 3.39Å; V149-F240 HydrophobicContact CG2-CE2 4.01Å; V149-F240 HydrophobicContact CG2-CG 4.35Å; V149-F240 HydrophobicContact CG2-CZ 3.47Å; V149-F240 VanDerWaalsContact CG2-CZ 3.47Å; H238-F240 PolarHBondContact O-N 2.82Å; F240-I260 HydrophobicContact CD2-CG2 4.24Å; F240-I260 HydrophobicContact CE2-CB 4.44Å; F240-I260 HydrophobicContact CE2-CG1 4.43Å; F240-I260 HydrophobicContact CE2-CG2 3.29Å; F240-I260 HydrophobicContact CZ-CB 4.24Å; F240-I260 HydrophobicContact CZ-CD1 4.02Å; F240-I260 HydrophobicContact CZ-CG1 3.79Å; F240-I260 HydrophobicContact CZ-CG2 3.53Å; F240-N262 WeakPolarHBondContact CD2-OD1 3.46Å |
| 241 | I | 43.4 | Very low | 41.6 | Very low | 43 Ų | 43 | 103.4 Ų | 103.4 | 22% | 0.221 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 114.6 | 172 | -56.7 | 175.2 | 0 | 0 | 0 | 107 | M19 L239 V261 | M19-I241 HydrophobicContact CG-CD1 4.4Å; M19-I241 HydrophobicContact SD-CD1 3.42Å; M19-I241 WeakPolarHBondContact SD-CD1 3.34Å; L239-I241 HydrophobicContact CD2-CD1 4.38Å; L239-I241 HydrophobicContact CG-CG1 4.33Å; I241-V261 PolarHBondContact O-N 3.48Å; I241-V261 VanDerWaalsContact O-N 3.16Å |
| 242 | S | 46.9 | Very low | 41.8 | Very low | 21 Ų | 21 | 97.9 Ų | 97.9 | 15% | 0.147 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.6 | 167.8 | -176 | 0 | 0 | 0 | 0 | 109.1 | L259 | S242-L259 WeakPolarHBondContact CA-O 3.47Å; S242-L259 WeakPolarHBondContact CB-O 3.46Å; S242-L259 PolarHBondContact OG-O 3.33Å |
| 243 | S | 46.3 | Very low | 41.9 | Very low | 31 Ų | 31 | 99.5 Ų | 99.5 | 22% | 0.217 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133 | 169.9 | 51.3 | 0 | 0 | 0 | 0 | 108.5 | L259 | S243-L259 PolarHBondContact N-O 2.98Å; S243-L259 PolarHBondContact O-N 3.11Å; S243-L259 VanDerWaalsContact O-N 3.1Å |
| 244 | G | 43.8 | Very low | 42.8 | Very low | 43 Ų | 43 | 95 Ų | 95 | 44% | 0.443 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | W141 | W141-G244 VanDerWaalsContact CZ3-CA 3.43Å |
| 245 | F | 44.8 | Very low | 43.7 | Very low | 34 Ų | 34 | 94.4 Ų | 94.4 | 15% | 0.149 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.1 | 172.5 | 53.2 | -98.2 | 0 | 0 | 0 | 109.8 | I27 L31 I247 V257 L259 | I27-F245 HydrophobicContact CG1-CD1 4.5Å; I27-F245 HydrophobicContact CG1-CE1 4.14Å; I27-F245 HydrophobicContact CG2-CE1 4.32Å; L31-F245 HydrophobicContact CD2-CE2 3.78Å; L31-F245 HydrophobicContact CD2-CZ 4.16Å; F245-I247 HydrophobicContact CD2-CD1 3.55Å; F245-I247 HydrophobicContact CD2-CG1 3.93Å; F245-I247 HydrophobicContact CE2-CD1 3.76Å; F245-V257 HydrophobicContact CD2-CB 4.18Å; F245-V257 HydrophobicContact CE2-CB 3.74Å; F245-V257 HydrophobicContact CE2-CG1 3.71Å; F245-V257 HydrophobicContact CE2-CG2 4.42Å; F245-V257 HydrophobicContact CZ-CB 4.22Å; F245-V257 HydrophobicContact CZ-CG1 3.71Å; F245-V257 PolarHBondContact N-O 2.9Å; F245-V257 PolarHBondContact O-N 2.97Å; F245-L259 HydrophobicContact CE1-CB 4.04Å; F245-L259 HydrophobicContact CE1-CD2 4.35Å |
| 246 | C | 40.4 | Very low | 44.4 | Very low | 73 Ų | 73 | 93.6 Ų | 93.6 | 49% | 0.493 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.3 | 171.4 | -71.9 | 0 | 0 | 0 | 0 | 107.4 | N255 | C246-N255 PolarHBondContact SG-O 3.49Å; C246-N255 VanDerWaalsContact SG-O 3.35Å |
| 247 | I | 41.6 | Very low | 44.8 | Very low | 44 Ų | 44 | 86.7 Ų | 86.7 | 23% | 0.226 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 108.5 | 177.5 | -65.9 | 168.8 | 0 | 0 | 0 | 106.8 | L31 F35 F245 | L31-I247 HydrophobicContact CD1-CD1 3.62Å; L31-I247 HydrophobicContact CD2-CD1 3.34Å; L31-I247 HydrophobicContact CG-CD1 4.13Å; F35-I247 HydrophobicContact CZ-CG2 4.19Å; F245-I247 HydrophobicContact CD2-CD1 3.55Å; F245-I247 HydrophobicContact CD2-CG1 3.93Å; F245-I247 HydrophobicContact CE2-CD1 3.76Å |
| 248 | Q | 44 | Very low | 45.6 | Very low | 173 Ų | 173 | 79.1 Ų | 79.1 | 81% | 0.808 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123 | 165.6 | -72.8 | -173.9 | -10.6 | 0 | 0 | 108.5 | ||
| 249 | Y | 46.1 | Very low | 46.2 | Very low | 148 Ų | 148 | 75.7 Ų | 75.7 | 58% | 0.58 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.9 | 168.5 | -154.2 | -94.8 | 0 | 0 | 0 | 107.9 | F35 K251 C252 | F35-Y249 HydrophobicContact CE1-CG 4.4Å; Y249-K251 PolarHBondContact O-N 3.32Å; Y249-C252 CarbonylContact O-C 3.58Å; Y249-C252 PolarHBondContact O-N 2.94Å |
| 250 | E | 45.1 | Very low | 47 | Very low | 200 Ų | 200 | 71.1 Ų | 71.1 | 94% | 0.935 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -11 | -167.1 | -162.3 | 174.6 | -172.1 | 0 | 0 | 115 | ||
| 251 | K | 49.2 | Very low | 47.5 | Very low | 199 Ų | 199 | 68.6 Ų | 68.6 | 87% | 0.865 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -2.2 | 175.8 | -105.8 | 173.8 | 176.7 | 172.3 | 0 | 116 | Y249 | Y249-K251 PolarHBondContact O-N 3.32Š|
| 252 | C | 39.3 | Very low | 48.1 | Very low | 65 Ų | 65 | 67 Ų | 67 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 104.9 | -176.7 | -72.9 | 0 | 0 | 0 | 0 | 110.9 | Y249 L254 | Y249-C252 CarbonylContact O-C 3.58Å; Y249-C252 PolarHBondContact O-N 2.94Å; C252-L254 VanDerWaalsContact C-N 3.34Å; C252-L254 PolarHBondContact O-N 2.88Å |
| 253 | V | 35.6 | Very low | 48.3 | Very low | 119 Ų | 119 | 67.4 Ų | 67.4 | 72% | 0.721 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 82 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | N255 | V253-N255 VanDerWaalsContact C-N 3.27Å; V253-N255 WeakPolarHBondContact CG1-OD1 3.45Å; V253-N255 PolarHBondContact O-N 2.94Å |
| 254 | L | 47.8 | Very low | 48.2 | Very low | 55 Ų | 55 | 71.2 Ų | 71.2 | 29% | 0.288 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 74.7 | 164.2 | -73.7 | 175 | 0 | 0 | 0 | 109.3 | F35 C252 K256 V257 | F35-L254 HydrophobicContact CE1-CD1 4.44Å; F35-L254 HydrophobicContact CZ-CD1 4.1Å; C252-L254 VanDerWaalsContact C-N 3.34Å; C252-L254 PolarHBondContact O-N 2.88Å; L254-K256 PolarHBondContact O-N 3.46Å; L254-V257 HydrophobicContact CB-CG2 4.31Å; L254-V257 HydrophobicContact CD1-CG2 4.48Å |
| 255 | N | 49 | Very low | 48.5 | Very low | 94 Ų | 94 | 72.8 Ų | 72.8 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.9 | -38.5 | -177.2 | -92.7 | -14 | 0 | 0 | 0 | 114.2 | C246 V253 E290 | C246-N255 PolarHBondContact SG-O 3.49Å; C246-N255 VanDerWaalsContact SG-O 3.35Å; V253-N255 VanDerWaalsContact C-N 3.27Å; V253-N255 WeakPolarHBondContact CG1-OD1 3.45Å; V253-N255 PolarHBondContact O-N 2.94Å; N255-E290 VanDerWaalsContact CB-OE2 3.22Å; N255-E290 WeakPolarHBondContact CB-OE2 3.17Å; N255-E290 PolarHBondContact ND2-OE2 3.42Å |
| 256 | K | 52 | Low | 48.8 | Very low | 68 Ų | 68 | 77 Ų | 77 | 30% | 0.296 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 125 | -176.9 | -161 | 168.2 | -176.1 | 174.3 | 0 | 110.5 | T144 L254 I258 S289 E290 | T144-K256 PolarHBondContact OG1-NZ 3.26Å; L254-K256 PolarHBondContact O-N 3.46Å; K256-I258 HydrophobicContact CG-CG1 4.38Å; K256-S289 WeakPolarHBondContact O-CA 3.36Å; K256-E290 HydrophobicContact CB-CG 4.29Å |
| 257 | V | 49.7 | Very low | 49.1 | Very low | 10 Ų | 10 | 77.1 Ų | 77.1 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120.7 | 168.4 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | F245 L254 L287 | F245-V257 HydrophobicContact CD2-CB 4.18Å; F245-V257 HydrophobicContact CE2-CB 3.74Å; F245-V257 HydrophobicContact CE2-CG1 3.71Å; F245-V257 HydrophobicContact CE2-CG2 4.42Å; F245-V257 HydrophobicContact CZ-CB 4.22Å; F245-V257 HydrophobicContact CZ-CG1 3.71Å; F245-V257 PolarHBondContact N-O 2.9Å; F245-V257 PolarHBondContact O-N 2.97Å; L254-V257 HydrophobicContact CB-CG2 4.31Å; L254-V257 HydrophobicContact CD1-CG2 4.48Å; V257-L287 HydrophobicContact CG1-CD1 3.9Å; V257-L287 HydrophobicContact CG1-CD2 3.89Å; V257-L287 HydrophobicContact CG1-CG 3.74Å |
| 258 | I | 57.4 | Low | 49.5 | Very low | 10 Ų | 10 | 78.4 Ų | 78.4 | 5% | 0.051 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 118.8 | 174.5 | -58.9 | 178.2 | 0 | 0 | 0 | 107.7 | W141 T144 I148 K256 I260 L287 K288 | W141-I258 HydrophobicContact CH2-CG2 4.17Å; W141-I258 HydrophobicContact CZ3-CG1 4.31Å; T144-I258 HydrophobicContact CG2-CD1 3.86Å; I148-I258 HydrophobicContact CD1-CD1 3.62Å; K256-I258 HydrophobicContact CG-CG1 4.38Å; I258-I260 HydrophobicContact CG2-CD1 4.24Å; I258-I260 HydrophobicContact CG2-CG1 4.06Å; I258-L287 WeakPolarHBondContact O-CA 3.5Å; I258-K288 PolarHBondContact N-O 3.43Å; I258-K288 PolarHBondContact O-N 3.48Å; I258-K288 VanDerWaalsContact O-N 3.07Å |
| 259 | L | 59.9 | Low | 49.7 | Very low | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.6 | 170.5 | 176.8 | 63.4 | 0 | 0 | 0 | 109.1 | L26 I27 S242 S243 F245 V261 | L26-L259 HydrophobicContact CD2-CD1 3.97Å; L26-L259 HydrophobicContact CD2-CD2 3.62Å; L26-L259 HydrophobicContact CD2-CG 4.34Å; I27-L259 HydrophobicContact CG1-CD2 3.98Å; S242-L259 WeakPolarHBondContact CA-O 3.47Å; S242-L259 WeakPolarHBondContact CB-O 3.46Å; S242-L259 PolarHBondContact OG-O 3.33Å; S243-L259 PolarHBondContact N-O 2.98Å; S243-L259 PolarHBondContact O-N 3.11Å; S243-L259 VanDerWaalsContact O-N 3.1Å; F245-L259 HydrophobicContact CE1-CB 4.04Å; F245-L259 HydrophobicContact CE1-CD2 4.35Å; L259-V261 HydrophobicContact CD1-CG2 4.37Å; L259-V261 HydrophobicContact CD2-CG2 4.39Å; L259-V261 HydrophobicContact CG-CG2 4.15Å |
| 260 | I | 59.1 | Low | 49.8 | Very low | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.036 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120 | 175.7 | -68.6 | 165.5 | 0 | 0 | 0 | 107.6 | I148 V152 F240 I258 N262 N285 F286 | I148-I260 HydrophobicContact CG2-CD1 3.66Å; V152-I260 HydrophobicContact CG2-CD1 4.46Å; F240-I260 HydrophobicContact CD2-CG2 4.24Å; F240-I260 HydrophobicContact CE2-CB 4.44Å; F240-I260 HydrophobicContact CE2-CG1 4.43Å; F240-I260 HydrophobicContact CE2-CG2 3.29Å; F240-I260 HydrophobicContact CZ-CB 4.24Å; F240-I260 HydrophobicContact CZ-CD1 4.02Å; F240-I260 HydrophobicContact CZ-CG1 3.79Å; F240-I260 HydrophobicContact CZ-CG2 3.53Å; I258-I260 HydrophobicContact CG2-CD1 4.24Å; I258-I260 HydrophobicContact CG2-CG1 4.06Å; I260-N262 WeakPolarHBondContact CG2-OD1 3.5Å; I260-N285 WeakPolarHBondContact O-CA 3.5Å; I260-F286 HydrophobicContact CB-CB 4.15Å; I260-F286 HydrophobicContact CB-CD2 4.33Å; I260-F286 HydrophobicContact CG2-CD2 3.95Å; I260-F286 PolarHBondContact N-O 2.71Å; I260-F286 PolarHBondContact O-N 3.35Å |
| 261 | V | 56.8 | Low | 49.9 | Very low | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111.7 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | L26 I241 L259 W263 | L26-V261 HydrophobicContact CD2-CG2 4.16Å; I241-V261 PolarHBondContact O-N 3.48Å; I241-V261 VanDerWaalsContact O-N 3.16Å; L259-V261 HydrophobicContact CD1-CG2 4.37Å; L259-V261 HydrophobicContact CD2-CG2 4.39Å; L259-V261 HydrophobicContact CG-CG2 4.15Å; V261-W263 HydrophobicContact CG1-CD2 4.31Å; V261-W263 HydrophobicContact CG1-CZ2 4.07Å |
| 262 | N | 54.8 | Low | 50 | Low | 9 Ų | 9 | 70.3 Ų | 70.3 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 110.9 | 177.7 | -77.3 | 1.5 | 0 | 0 | 0 | 111.2 | H238 F240 I260 T283 D284 | H238-N262 VanDerWaalsContact CE1-CG 3.41Å; H238-N262 PolarHBondContact CE1-OD1 2.93Å; H238-N262 WeakPolarHBondContact NE2-CB 3.41Å; F240-N262 WeakPolarHBondContact CD2-OD1 3.46Å; I260-N262 WeakPolarHBondContact CG2-OD1 3.5Å; N262-T283 PolarHBondContact O-N 3.07Å; N262-T283 VanDerWaalsContact O-N 3.09Å; N262-T283 PolarHBondContact O-OG1 3.12Å; N262-T283 VanDerWaalsContact O-OG1 3.14Å; N262-D284 WeakPolarHBondContact CB-O 3.27Å; N262-D284 PolarHBondContact N-O 3.38Å |
| 263 | W | 51.5 | Low | 49.8 | Very low | 29 Ų | 29 | 70.8 Ų | 70.8 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.3 | 172.9 | -61.7 | 104.4 | 0 | 0 | 0 | 110.6 | F22 V261 F280 P282 | F22-W263 AromaticContact CD1-CH2 3.66Å; F22-W263 HydrophobicContact CD1-CH2 3.66Å; F22-W263 AromaticContact CD1-CZ2 3.64Å; F22-W263 HydrophobicContact CD1-CZ2 3.64Å; F22-W263 AromaticContact CE1-CH2 3.3Å; F22-W263 HydrophobicContact CE1-CH2 3.3Å; F22-W263 AromaticContact CE1-CZ2 3.51Å; F22-W263 HydrophobicContact CE1-CZ2 3.51Å; F22-W263 HydrophobicContact CE1-CZ3 4.42Å; F22-W263 HydrophobicContact CG-CH2 4.42Å; F22-W263 AromaticContact CZ-CH2 3.8Å; F22-W263 HydrophobicContact CZ-CH2 3.8Å; F22-W263 HydrophobicContact CZ-CZ2 4.43Å; V261-W263 HydrophobicContact CG1-CD2 4.31Å; V261-W263 HydrophobicContact CG1-CZ2 4.07Å; W263-F280 HydrophobicContact CE3-CB 3.74Å; W263-F280 HydrophobicContact CH2-CB 4.27Å; W263-F280 HydrophobicContact CZ3-CB 3.45Å; W263-F280 VanDerWaalsContact CZ3-CB 3.45Å; W263-F280 HydrophobicContact CZ3-CG 4.45Å; W263-P282 HydrophobicContact CE3-CB 4.34Å; W263-P282 HydrophobicContact CZ3-CB 4.09Å; W263-P282 HydrophobicContact CZ3-CG 4.41Å |
| 264 | R | 43.7 | Very low | 50 | Low | 112 Ų | 112 | 69.3 Ų | 69.3 | 42% | 0.423 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 140.3 | 161.9 | -69.3 | -165.3 | -178.7 | -178.6 | -7.7 | 109.3 | H156 T283 | H156-R264 VanDerWaalsContact CE1-CZ 3.48Å; H156-R264 PolarHBondContact CE1-NH2 3.4Å; H156-R264 PolarHBondContact ND1-NH2 3.04Å; R264-T283 HydrophobicContact CB-CG2 3.75Å; R264-T283 HydrophobicContact CG-CG2 3.65Å |
| 265 | Y | 50.7 | Low | 49.6 | Very low | 76 Ų | 76 | 69.2 Ų | 69.2 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -91.3 | 127.9 | 168.9 | -155 | -70.3 | 0 | 0 | 0 | 107.9 | D267 L270 F271 | Y265-D267 WeakPolarHBondContact CD1-O 3.37Å; Y265-D267 WeakPolarHBondContact CE1-O 3.36Å; Y265-L270 HydrophobicContact CE1-CB 4.06Å; Y265-L270 HydrophobicContact CE1-CD1 4.07Å; Y265-L270 WeakPolarHBondContact OH-CB 3.39Å; Y265-F271 HydrophobicContact CD2-CE2 4.27Å; Y265-F271 AromaticContact CE2-CE2 3.5Å; Y265-F271 HydrophobicContact CE2-CE2 3.5Å; Y265-F271 AromaticContact CE2-CZ 3.68Å; Y265-F271 HydrophobicContact CE2-CZ 3.68Å; Y265-F271 AromaticContact CZ-CE2 3.69Å |
| 266 | E | 51.7 | Low | 49.3 | Very low | 122 Ų | 122 | 72 Ų | 72 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -72.8 | -37.5 | -174.5 | -66.5 | -171.7 | 150 | 0 | 0 | 113.2 | Q281 | E266-Q281 WeakPolarHBondContact OE1-CG 3.48Å; E266-Q281 PolarHBondContact OE1-NE2 2.97Å |
| 267 | D | 45.9 | Very low | 49 | Very low | 76 Ų | 76 | 73.2 Ų | 73.2 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | trans | -146.7 | 97.5 | 174.3 | -172.4 | -16.9 | 0 | 0 | 0 | 112.3 | Y265 T269 L270 | Y265-D267 WeakPolarHBondContact CD1-O 3.37Å; Y265-D267 WeakPolarHBondContact CE1-O 3.36Å; D267-T269 PolarHBondContact O-N 3.15Å; D267-T269 WeakPolarHBondContact OD1-CB 3.37Å; D267-T269 WeakPolarHBondContact OD1-CG2 3.03Å; D267-T269 PolarHBondContact OD1-N 2.87Å; D267-T269 VanDerWaalsContact OD1-N 3.11Å; D267-T269 PolarHBondContact OD1-OG1 3.02Å; D267-T269 PolarHBondContact OD2-OG1 3.3Å; D267-L270 PolarHBondContact O-N 2.86Å; D267-L270 VanDerWaalsContact O-N 3.12Å | ||
| 268 | P | 49.7 | Very low | 48.8 | Very low | 70 Ų | 70 | 73.8 Ų | 73.8 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -61.5 | -7.8 | -173.9 | 25.9 | -34.8 | 0 | 0 | 0 | 114.6 | L270 | P268-L270 VanDerWaalsContact C-N 3.26Å; P268-L270 PolarHBondContact O-N 3.49Å |
| 269 | T | 49.5 | Very low | 48.1 | Very low | 94 Ų | 94 | 80.4 Ų | 80.4 | 58% | 0.577 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -72.2 | -14.8 | 174.7 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | D267 F271 R272 | D267-T269 PolarHBondContact O-N 3.15Å; D267-T269 WeakPolarHBondContact OD1-CB 3.37Å; D267-T269 WeakPolarHBondContact OD1-CG2 3.03Å; D267-T269 PolarHBondContact OD1-N 2.87Å; D267-T269 VanDerWaalsContact OD1-N 3.11Å; D267-T269 PolarHBondContact OD1-OG1 3.02Å; D267-T269 PolarHBondContact OD2-OG1 3.3Å; T269-F271 PolarHBondContact O-N 3.01Å; T269-R272 PolarHBondContact O-N 3.48Å |
| 270 | L | 46.6 | Very low | 47.4 | Very low | 65 Ų | 65 | 85.2 Ų | 85.2 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -61.3 | -9.6 | -176.4 | -85 | 172.4 | 0 | 0 | 0 | 115.9 | Y265 D267 P268 R272 | Y265-L270 HydrophobicContact CE1-CB 4.06Å; Y265-L270 HydrophobicContact CE1-CD1 4.07Å; Y265-L270 WeakPolarHBondContact OH-CB 3.39Å; D267-L270 PolarHBondContact O-N 2.86Å; D267-L270 VanDerWaalsContact O-N 3.12Å; P268-L270 VanDerWaalsContact C-N 3.26Å; P268-L270 PolarHBondContact O-N 3.49Å; L270-R272 VanDerWaalsContact C-N 3.25Å; L270-R272 PolarHBondContact O-N 2.95Å |
| 271 | F | 47.8 | Very low | 46.8 | Very low | 158 Ų | 158 | 89.6 Ų | 89.6 | 69% | 0.693 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -76.9 | -6.9 | 171.9 | -67.1 | -78.5 | 0 | 0 | 0 | 114 | Y265 T269 G273 | Y265-F271 HydrophobicContact CD2-CE2 4.27Å; Y265-F271 AromaticContact CE2-CE2 3.5Å; Y265-F271 HydrophobicContact CE2-CE2 3.5Å; Y265-F271 AromaticContact CE2-CZ 3.68Å; Y265-F271 HydrophobicContact CE2-CZ 3.68Å; Y265-F271 AromaticContact CZ-CE2 3.69Å; T269-F271 PolarHBondContact O-N 3.01Å; F271-G273 VanDerWaalsContact C-N 3.29Å; F271-G273 PolarHBondContact O-N 3.19Å |
| 272 | R | 51.6 | Low | 46.5 | Very low | 233 Ų | 233 | 90.3 Ų | 90.3 | 88% | 0.879 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -82.4 | 69.5 | 173.7 | -171.2 | 175.2 | -84.5 | -112.8 | 0.3 | 111.9 | T269 L270 | T269-R272 PolarHBondContact O-N 3.48Å; L270-R272 VanDerWaalsContact C-N 3.25Å; L270-R272 PolarHBondContact O-N 2.95Å |
| 273 | G | 34.3 | Very low | 46.3 | Very low | 75 Ų | 75 | 91.5 Ų | 91.5 | 77% | 0.773 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 50.9 | 97.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | F271 | F271-G273 VanDerWaalsContact C-N 3.29Å; F271-G273 PolarHBondContact O-N 3.19Å |
| 274 | G | 41 | Very low | 46.4 | Very low | 89 Ų | 89 | 90.5 Ų | 90.5 | 92% | 0.918 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 103.8 | 13.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 275 | G | 38.3 | Very low | 46.9 | Very low | 52 Ų | 52 | 86.3 Ų | 86.3 | 54% | 0.536 | 48% | 0.483 | S | S | . | . | trans | -92 | 159 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 276 | N | 42.6 | Very low | 47 | Very low | 153 Ų | 153 | 83.6 Ų | 83.6 | 82% | 0.818 | 47% | 0.473 | S | S | * | . | trans | -56.4 | 145.6 | 174.5 | -74.6 | -29.4 | 0 | 0 | 0 | 111.4 | G278 | N276-G278 PolarHBondContact O-N 2.94Å; N276-G278 VanDerWaalsContact O-N 3.07Å | ||
| 277 | V | 46.9 | Very low | 47 | Very low | 94 Ų | 94 | 78.1 Ų | 78.1 | 57% | 0.57 | 45% | 0.448 | S | S | * | . | trans | -59.9 | 113.7 | 177.9 | 176.1 | 0 | 0 | 0 | 0 | 109.5 | R15 E279 | R15-V277 VanDerWaalsContact NH2-CG1 3.3Å; V277-E279 PolarHBondContact O-N 3.1Å | ||
| 278 | G | 45.4 | Very low | 47.2 | Very low | 21 Ų | 21 | 79.1 Ų | 79.1 | 22% | 0.216 | 45% | 0.448 | C | S | . | . | trans | -55.8 | 136.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N276 | N276-G278 PolarHBondContact O-N 2.94Å; N276-G278 VanDerWaalsContact O-N 3.07Å | ||
| 279 | E | 41.6 | Very low | 47.1 | Very low | 150 Ų | 150 | 76.8 Ų | 76.8 | 70% | 0.701 | 43% | 0.434 | S | S | * | . | trans | -69.7 | 133.2 | 178.4 | -67.5 | -165.3 | 164 | 0 | 0 | 110.4 | V277 Q281 | V277-E279 PolarHBondContact O-N 3.1Å; E279-Q281 PolarHBondContact O-N 2.95Å | ||
| 280 | F | 46.1 | Very low | 46.7 | Very low | 104 Ų | 104 | 79.1 Ų | 79.1 | 46% | 0.456 | 44% | 0.438 | S | S | . | . | trans | -82.5 | 106.5 | 173.9 | -66 | -82.5 | 0 | 0 | 0 | 109.6 | W263 P282 | W263-F280 HydrophobicContact CE3-CB 3.74Å; W263-F280 HydrophobicContact CH2-CB 4.27Å; W263-F280 HydrophobicContact CZ3-CB 3.45Å; W263-F280 VanDerWaalsContact CZ3-CB 3.45Å; W263-F280 HydrophobicContact CZ3-CG 4.45Å; F280-P282 WeakPolarHBondContact O-CD 3.41Å | ||
| 281 | Q | 46.1 | Very low | 46.3 | Very low | 99 Ų | 99 | 80.5 Ų | 80.5 | 46% | 0.463 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.4 | 173.3 | -63.9 | -140.8 | 46.2 | 0 | 0 | 111.2 | E266 E279 T283 | E266-Q281 WeakPolarHBondContact OE1-CG 3.48Å; E266-Q281 PolarHBondContact OE1-NE2 2.97Å; E279-Q281 PolarHBondContact O-N 2.95Å; Q281-T283 PolarHBondContact O-N 3.43Å |
| 282 | P | 51.6 | Low | 45.9 | Very low | 16 Ų | 16 | 76.8 Ų | 76.8 | 10% | 0.104 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 113 | 170.8 | 29.7 | -32.1 | 0 | 0 | 0 | 108.6 | W263 F280 K298 | W263-P282 HydrophobicContact CE3-CB 4.34Å; W263-P282 HydrophobicContact CZ3-CB 4.09Å; W263-P282 HydrophobicContact CZ3-CG 4.41Å; F280-P282 WeakPolarHBondContact O-CD 3.41Å; P282-K298 HydrophobicContact CG-CD 4.35Å |
| 283 | T | 48.9 | Very low | 45.3 | Very low | 33 Ų | 33 | 68.7 Ų | 68.7 | 20% | 0.202 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -44.5 | -166.6 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | N262 R264 Q281 | N262-T283 PolarHBondContact O-N 3.07Å; N262-T283 VanDerWaalsContact O-N 3.09Å; N262-T283 PolarHBondContact O-OG1 3.12Å; N262-T283 VanDerWaalsContact O-OG1 3.14Å; R264-T283 HydrophobicContact CB-CG2 3.75Å; R264-T283 HydrophobicContact CG-CG2 3.65Å; Q281-T283 PolarHBondContact O-N 3.43Å |
| 284 | D | 53.6 | Low | 46.1 | Very low | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.043 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 134.9 | 173.9 | -69.8 | -64 | 0 | 0 | 0 | 108.8 | H156 N262 F286 K297 | H156-D284 IonicContact CD2-OD2 2.76Å; H156-D284 IonicContact NE2-OD2 2.04Å; H156-D284 PolarHBondContact NE2-OD2 2.64Å; N262-D284 WeakPolarHBondContact CB-O 3.27Å; N262-D284 PolarHBondContact N-O 3.38Å; D284-F286 HydrophobicContact CB-CE2 3.72Å; D284-F286 HydrophobicContact CB-CZ 3.83Å; D284-K297 WeakPolarHBondContact OD1-CB 3.42Å; D284-K297 WeakPolarHBondContact OD1-CG 3.23Å; D284-K297 IonicContact OD1-NZ 2.68Å; D284-K297 PolarHBondContact OD1-NZ 3.36Å; D284-K297 IonicContact OD2-NZ 3.13Å; D284-K297 PolarHBondContact OD2-NZ 3.07Å |
| 285 | N | 55.1 | Low | 46.3 | Very low | 24 Ų | 24 | 67.9 Ų | 67.9 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.8 | 172.8 | -65 | -32.9 | 0 | 0 | 0 | 109.2 | I260 F296 | I260-N285 WeakPolarHBondContact O-CA 3.5Å; N285-F296 HydrophobicContact CB-CB 4.44Å; N285-F296 PolarHBondContact N-O 3.02Å; N285-F296 PolarHBondContact O-N 3.03Å |
| 286 | F | 53.4 | Low | 46.8 | Very low | 19 Ų | 19 | 68 Ų | 68 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.2 | 178.8 | -51.3 | -103.5 | 0 | 0 | 0 | 109.7 | V152 I260 D284 L293 I295 | V152-F286 HydrophobicContact CG1-CD2 4.37Å; V152-F286 HydrophobicContact CG1-CE1 4.31Å; V152-F286 HydrophobicContact CG1-CE2 3.99Å; V152-F286 HydrophobicContact CG1-CZ 3.96Å; I260-F286 HydrophobicContact CB-CB 4.15Å; I260-F286 HydrophobicContact CB-CD2 4.33Å; I260-F286 HydrophobicContact CG2-CD2 3.95Å; I260-F286 PolarHBondContact N-O 2.71Å; I260-F286 PolarHBondContact O-N 3.35Å; D284-F286 HydrophobicContact CB-CE2 3.72Å; D284-F286 HydrophobicContact CB-CZ 3.83Å; F286-L293 HydrophobicContact CB-CD1 4.41Å; F286-I295 HydrophobicContact CD1-CB 4.45Å; F286-I295 HydrophobicContact CD1-CD1 4.38Å; F286-I295 HydrophobicContact CD1-CG1 3.89Å; F286-I295 HydrophobicContact CD1-CG2 4.16Å; F286-I295 HydrophobicContact CE1-CD1 4.07Å; F286-I295 HydrophobicContact CE1-CG1 4.01Å; F286-I295 HydrophobicContact CE1-CG2 3.87Å; F286-I295 HydrophobicContact CZ-CG2 4.45Å |
| 287 | L | 51.5 | Low | 46.8 | Very low | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.8 | 170.7 | -168.2 | 149 | 0 | 0 | 0 | 108.6 | V30 F34 V257 I258 R294 F296 | V30-L287 HydrophobicContact CG1-CD1 3.44Å; V30-L287 VanDerWaalsContact CG1-CD1 3.44Å; F34-L287 HydrophobicContact CD2-CD1 4.37Å; F34-L287 HydrophobicContact CE1-CD2 4.23Å; F34-L287 HydrophobicContact CE2-CD1 3.66Å; F34-L287 HydrophobicContact CE2-CD2 4.39Å; F34-L287 HydrophobicContact CZ-CD1 3.89Å; F34-L287 HydrophobicContact CZ-CD2 3.74Å; F34-L287 HydrophobicContact CZ-CG 4.38Å; V257-L287 HydrophobicContact CG1-CD1 3.9Å; V257-L287 HydrophobicContact CG1-CD2 3.89Å; V257-L287 HydrophobicContact CG1-CG 3.74Å; I258-L287 WeakPolarHBondContact O-CA 3.5Å; L287-R294 PolarHBondContact N-O 3.11Å; L287-R294 PolarHBondContact O-N 2.88Å; L287-F296 HydrophobicContact CB-CE2 4.17Å |
| 288 | K | 50 | Low | 46.6 | Very low | 98 Ų | 98 | 65.6 Ų | 65.6 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.8 | 176.7 | -165.4 | 175.6 | -178.9 | -178.1 | 0 | 110 | I258 N292 L293 | I258-K288 PolarHBondContact N-O 3.43Å; I258-K288 PolarHBondContact O-N 3.48Å; I258-K288 VanDerWaalsContact O-N 3.07Å; K288-N292 WeakPolarHBondContact CA-O 3.48Å; K288-L293 HydrophobicContact CB-CD1 3.91Å; K288-L293 HydrophobicContact CD-CD1 4.43Å; K288-L293 HydrophobicContact CG-CB 4.45Å; K288-L293 HydrophobicContact CG-CD1 4.19Å |
| 289 | S | 46.5 | Very low | 46.1 | Very low | 21 Ų | 21 | 73.5 Ų | 73.5 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 170.4 | 161.6 | 67.5 | 0 | 0 | 0 | 0 | 109.8 | K256 S291 N292 | K256-S289 WeakPolarHBondContact O-CA 3.36Å; S289-S291 PolarHBondContact O-N 3.4Å; S289-S291 PolarHBondContact OG-N 3.37Å; S289-S291 PolarHBondContact OG-OG 3.46Å; S289-N292 PolarHBondContact N-O 3.3Å; S289-N292 PolarHBondContact O-N 3.17Å; S289-N292 PolarHBondContact OG-N 2.94Å; S289-N292 VanDerWaalsContact OG-N 3.16Å; S289-N292 PolarHBondContact OG-O 3Å |
| 290 | E | 42.3 | Very low | 45.7 | Very low | 142 Ų | 142 | 70.2 Ų | 70.2 | 66% | 0.664 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -56.7 | -21.6 | 173.8 | -62.3 | -169 | 131.3 | 0 | 0 | 113.3 | N255 K256 | N255-E290 VanDerWaalsContact CB-OE2 3.22Å; N255-E290 WeakPolarHBondContact CB-OE2 3.17Å; N255-E290 PolarHBondContact ND2-OE2 3.42Å; K256-E290 HydrophobicContact CB-CG 4.29Å |
| 291 | S | 37.3 | Very low | 45.1 | Very low | 94 Ų | 94 | 69.5 Ų | 69.5 | 66% | 0.657 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -107.5 | -20.7 | -175.7 | 55 | 0 | 0 | 0 | 0 | 115.6 | S289 | S289-S291 PolarHBondContact O-N 3.4Å; S289-S291 PolarHBondContact OG-N 3.37Å; S289-S291 PolarHBondContact OG-OG 3.46Å |
| 292 | N | 39 | Very low | 44.5 | Very low | 80 Ų | 80 | 70 Ų | 70 | 43% | 0.428 | 39% | 0.385 | S | S | . | . | trans | -153.6 | 145.9 | -175.2 | -77.5 | -85.6 | 0 | 0 | 0 | 113.4 | K288 S289 | K288-N292 WeakPolarHBondContact CA-O 3.48Å; S289-N292 PolarHBondContact N-O 3.3Å; S289-N292 PolarHBondContact O-N 3.17Å; S289-N292 PolarHBondContact OG-N 2.94Å; S289-N292 VanDerWaalsContact OG-N 3.16Å; S289-N292 PolarHBondContact OG-O 3Å | ||
| 293 | L | 40.2 | Very low | 43.9 | Very low | 64 Ų | 64 | 76.5 Ų | 76.5 | 34% | 0.335 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.1 | 164.1 | 177 | 67 | 0 | 0 | 0 | 109.3 | F286 K288 | F286-L293 HydrophobicContact CB-CD1 4.41Å; K288-L293 HydrophobicContact CB-CD1 3.91Å; K288-L293 HydrophobicContact CD-CD1 4.43Å; K288-L293 HydrophobicContact CG-CB 4.45Å; K288-L293 HydrophobicContact CG-CD1 4.19Å |
| 294 | R | 49.6 | Very low | 43.5 | Very low | 103 Ų | 103 | 77.1 Ų | 77.1 | 39% | 0.389 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.6 | 170.8 | -62.5 | -172.8 | -155.3 | -169 | 6 | 110.4 | L287 F296 | L287-R294 PolarHBondContact N-O 3.11Å; L287-R294 PolarHBondContact O-N 2.88Å; R294-F296 HydrophobicContact CB-CE2 3.87Å; R294-F296 HydrophobicContact CB-CZ 4.11Å |
| 295 | I | 46.3 | Very low | 43 | Very low | 44 Ų | 44 | 79.9 Ų | 79.9 | 23% | 0.226 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.6 | 175.3 | -49.9 | 179.9 | 0 | 0 | 0 | 108.1 | F286 | F286-I295 HydrophobicContact CD1-CB 4.45Å; F286-I295 HydrophobicContact CD1-CD1 4.38Å; F286-I295 HydrophobicContact CD1-CG1 3.89Å; F286-I295 HydrophobicContact CD1-CG2 4.16Å; F286-I295 HydrophobicContact CE1-CD1 4.07Å; F286-I295 HydrophobicContact CE1-CG1 4.01Å; F286-I295 HydrophobicContact CE1-CG2 3.87Å; F286-I295 HydrophobicContact CZ-CG2 4.45Å |
| 296 | F | 48.1 | Very low | 42.4 | Very low | 53 Ų | 53 | 85.8 Ų | 85.8 | 23% | 0.232 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 102.9 | 176 | -63.5 | -78.5 | 0 | 0 | 0 | 109.9 | F34 N285 L287 R294 A305 | F34-F296 HydrophobicContact CE2-CE2 4.41Å; F34-F296 HydrophobicContact CE2-CZ 4.25Å; F34-F296 HydrophobicContact CZ-CZ 4.49Å; N285-F296 HydrophobicContact CB-CB 4.44Å; N285-F296 PolarHBondContact N-O 3.02Å; N285-F296 PolarHBondContact O-N 3.03Å; L287-F296 HydrophobicContact CB-CE2 4.17Å; R294-F296 HydrophobicContact CB-CE2 3.87Å; R294-F296 HydrophobicContact CB-CZ 4.11Å; F296-A305 HydrophobicContact CD1-CB 4.42Å; F296-A305 HydrophobicContact CE1-CB 4.25Å |
| 297 | K | 44.2 | Very low | 41.7 | Very low | 72 Ų | 72 | 90.4 Ų | 90.4 | 31% | 0.313 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 128 | 173.7 | -168.4 | 169.5 | -153.1 | 83.8 | 0 | 110.5 | D284 | D284-K297 WeakPolarHBondContact OD1-CB 3.42Å; D284-K297 WeakPolarHBondContact OD1-CG 3.23Å; D284-K297 IonicContact OD1-NZ 2.68Å; D284-K297 PolarHBondContact OD1-NZ 3.36Å; D284-K297 IonicContact OD2-NZ 3.13Å; D284-K297 PolarHBondContact OD2-NZ 3.07Å |
| 298 | K | 40.9 | Very low | 41.3 | Very low | 126 Ų | 126 | 96.6 Ų | 96.6 | 55% | 0.548 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 83.5 | 174.4 | -171.7 | -168.4 | 175.8 | -167.6 | 0 | 109.7 | P282 | P282-K298 HydrophobicContact CG-CD 4.35Å |
| 299 | R | 36.4 | Very low | 40.5 | Very low | 187 Ų | 187 | 103.4 Ų | 103.4 | 71% | 0.706 | 55% | 0.55 | S | S | * | * | trans | -81.9 | 151.7 | 156.8 | -83.5 | -173.3 | 176.1 | 167.3 | 1.4 | 109 | G301 V302 | R299-G301 PolarHBondContact O-N 3.02Å; R299-V302 PolarHBondContact O-N 3.03Å | ||
| 300 | G | 32.6 | Very low | 40.1 | Very low | 80 Ų | 80 | 107.5 Ų | 107.5 | 83% | 0.825 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -52 | 132 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V302 | G300-V302 PolarHBondContact O-N 3.44Š|
| 301 | G | 34.3 | Very low | 40 | Very low | 89 Ų | 89 | 105.7 Ų | 105.7 | 92% | 0.918 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 75 | -31.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | R299 | R299-G301 PolarHBondContact O-N 3.02Š|
| 302 | V | 31.8 | Very low | 40.2 | Very low | 111 Ų | 111 | 106.3 Ų | 106.3 | 67% | 0.673 | 56% | 0.56 | S | S | * | * | trans | -133.2 | 114.9 | -172.2 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | R299 G300 | R299-V302 PolarHBondContact O-N 3.03Å; G300-V302 PolarHBondContact O-N 3.44Å | ||
| 303 | R | 40.1 | Very low | 40.3 | Very low | 151 Ų | 151 | 107.9 Ų | 107.9 | 57% | 0.57 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89 | 128.9 | 168.4 | -61.8 | -171.3 | -165 | -165.5 | 5.2 | 109.2 | ||
| 304 | S | 39.4 | Very low | 40.3 | Very low | 47 Ų | 47 | 110.6 Ų | 110.6 | 33% | 0.329 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.5 | 168.1 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | Y306 | S304-Y306 VanDerWaalsContact OG-CE2 3.28Å; S304-Y306 WeakPolarHBondContact OG-CE2 3.47Å; S304-Y306 PolarHBondContact OG-OH 3.48Å |
| 305 | A | 43.9 | Very low | 39.6 | Very low | 66 Ų | 66 | 111.1 Ų | 111.1 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | F296 | F296-A305 HydrophobicContact CD1-CB 4.42Å; F296-A305 HydrophobicContact CE1-CB 4.25Å |
| 306 | Y | 42 | Very low | 39.2 | Very low | 148 Ų | 148 | 115.9 Ų | 115.9 | 58% | 0.58 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.1 | 176.8 | -61.9 | -84.7 | 0 | 0 | 0 | 109.4 | S304 | S304-Y306 VanDerWaalsContact OG-CE2 3.28Å; S304-Y306 WeakPolarHBondContact OG-CE2 3.47Å; S304-Y306 PolarHBondContact OG-OH 3.48Å |
| 307 | N | 39.1 | Very low | 38.5 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 62% | 0.62 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 128 | 161.8 | -64.8 | -25.1 | 0 | 0 | 0 | 107.2 | ||
| 308 | K | 43.9 | Very low | 38 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 60% | 0.596 | 68% | 0.68 | S | S | * | * | trans | -94.2 | 116.6 | 168.6 | -164.3 | 170.2 | -178.7 | 174.8 | 0 | 107 | N155 | N155-K308 PolarHBondContact OD1-NZ 3.01Š| ||
| 309 | L | 31.7 | Very low | 37.7 | Very low | 240 Ų | 240 | 124.7 Ų | 124.7 | 100% | 1.257 | 69% | 0.693 | S | S | * | * | trans | -66.6 | 0 | 166.1 | -72.9 | 167.8 | 0 | 0 | 0 | 110 |
Retrieved 309 of 309 residues in 164.4 ms
(Link to these results)