| 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 | 49 | Very low | 59.5 | Low | 200 Ų | 200 | 145.7 Ų | 145.7 | 99% | 0.985 | 68% | 0.676 | S | S | * | * | 0 | -61.2 | 0 | -113.3 | 160.1 | 171.9 | 0 | 0 | 114.1 | M3 I4 N5 | M1-M3 PolarHBondContact O-N 2.89Å; M1-I4 PolarHBondContact O-N 3.35Å; M1-N5 PolarHBondContact O-N 3.31Å | |||
| 2 | K | 50.4 | Low | 60.4 | Low | 195 Ų | 195 | 143.4 Ų | 143.4 | 85% | 0.848 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -49.4 | -44.5 | -175.1 | -78.8 | -173.6 | 175.3 | -179 | 0 | 115.6 | I4 N5 L6 | K2-I4 PolarHBondContact O-N 3.38Å; K2-N5 PolarHBondContact O-N 2.94Å; K2-L6 PolarHBondContact O-N 3.48Å |
| 3 | M | 50.4 | Low | 61.3 | Low | 165 Ų | 165 | 136.7 Ų | 136.7 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.9 | -37.4 | 176.5 | -81.1 | -166.9 | -176.7 | 0 | 0 | 114.1 | M1 L6 H7 | M1-M3 PolarHBondContact O-N 2.89Å; M3-L6 PolarHBondContact O-N 3.24Å; M3-H7 WeakPolarHBondContact O-CB 3.4Å; M3-H7 PolarHBondContact O-N 3.34Å |
| 4 | I | 58.7 | Low | 62.1 | Low | 113 Ų | 113 | 132.4 Ų | 132.4 | 58% | 0.579 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.2 | -39.5 | -179.7 | -63.7 | 170.7 | 0 | 0 | 0 | 110.2 | M1 K2 H7 R8 | M1-I4 PolarHBondContact O-N 3.35Å; K2-I4 PolarHBondContact O-N 3.38Å; I4-H7 PolarHBondContact O-N 3.38Å; I4-R8 WeakPolarHBondContact O-CB 3.48Å; I4-R8 PolarHBondContact O-N 3.5Å |
| 5 | N | 59.6 | Low | 63 | Low | 104 Ų | 104 | 131 Ų | 131 | 56% | 0.556 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.7 | -41.2 | 172.3 | -83.1 | 5.4 | 0 | 0 | 0 | 111.6 | M1 K2 H7 R8 Y9 | M1-N5 PolarHBondContact O-N 3.31Å; K2-N5 PolarHBondContact O-N 2.94Å; N5-H7 VanDerWaalsContact C-N 3.35Å; N5-H7 PolarHBondContact O-N 3.43Å; N5-R8 PolarHBondContact O-N 3.1Å; N5-Y9 WeakPolarHBondContact O-CB 3.34Å; N5-Y9 PolarHBondContact O-N 3.47Å |
| 6 | L | 59.9 | Low | 63.8 | Low | 129 Ų | 129 | 132.9 Ų | 132.9 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.5 | -41.7 | 176.1 | -162.4 | 73.1 | 0 | 0 | 0 | 111.7 | K2 M3 Y9 F10 | K2-L6 PolarHBondContact O-N 3.48Å; M3-L6 PolarHBondContact O-N 3.24Å; L6-Y9 PolarHBondContact O-N 3.41Å; L6-F10 WeakPolarHBondContact O-CB 3.35Å; L6-F10 PolarHBondContact O-N 3.44Å |
| 7 | H | 61.6 | Low | 64.3 | Low | 126 Ų | 126 | 131.8 Ų | 131.8 | 58% | 0.583 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.4 | -33.8 | 178.8 | -145.6 | -45.6 | 0 | 0 | 0 | 112.8 | M3 I4 N5 F10 L11 | M3-H7 WeakPolarHBondContact O-CB 3.4Å; M3-H7 PolarHBondContact O-N 3.34Å; I4-H7 PolarHBondContact O-N 3.38Å; N5-H7 VanDerWaalsContact C-N 3.35Å; N5-H7 PolarHBondContact O-N 3.43Å; H7-F10 PolarHBondContact O-N 3.12Å; H7-L11 WeakPolarHBondContact O-CG 3.33Å; H7-L11 PolarHBondContact O-N 3.31Å |
| 8 | R | 63 | Low | 64.9 | Low | 172 Ų | 172 | 131.1 Ų | 131.1 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.9 | -43.6 | 168 | -84 | -174.6 | 169 | -172.5 | -4.4 | 111.5 | I4 N5 F10 L11 L12 | I4-R8 WeakPolarHBondContact O-CB 3.48Å; I4-R8 PolarHBondContact O-N 3.5Å; N5-R8 PolarHBondContact O-N 3.1Å; R8-F10 VanDerWaalsContact C-N 3.29Å; R8-F10 PolarHBondContact O-N 3.4Å; R8-L11 PolarHBondContact O-N 3.35Å; R8-L12 WeakPolarHBondContact O-CB 3.13Å; R8-L12 PolarHBondContact O-N 2.6Å |
| 9 | Y | 65.2 | Low | 65.3 | Low | 173 Ų | 173 | 132.6 Ų | 132.6 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.9 | -37 | 176.1 | -133.4 | -88.7 | 0 | 0 | 0 | 111.7 | N5 L6 L12 T13 | N5-Y9 WeakPolarHBondContact O-CB 3.34Å; N5-Y9 PolarHBondContact O-N 3.47Å; L6-Y9 PolarHBondContact O-N 3.41Å; Y9-L12 PolarHBondContact O-N 3.27Å; Y9-T13 HydrophobicContact CD1-CG2 4.28Å; Y9-T13 WeakPolarHBondContact O-CB 3.34Å; Y9-T13 WeakPolarHBondContact O-CG2 3.45Å; Y9-T13 PolarHBondContact O-N 3.35Å; Y9-T13 PolarHBondContact O-OG1 3.32Å |
| 10 | F | 67 | Low | 65.8 | Low | 131 Ų | 131 | 128.6 Ų | 128.6 | 58% | 0.575 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.8 | -40.5 | 175.8 | -153.2 | -103 | 0 | 0 | 0 | 112.3 | L6 H7 R8 T13 I14 | L6-F10 WeakPolarHBondContact O-CB 3.35Å; L6-F10 PolarHBondContact O-N 3.44Å; H7-F10 PolarHBondContact O-N 3.12Å; R8-F10 VanDerWaalsContact C-N 3.29Å; R8-F10 PolarHBondContact O-N 3.4Å; F10-T13 WeakPolarHBondContact CA-OG1 3.41Å; F10-T13 PolarHBondContact O-N 3.36Å; F10-T13 PolarHBondContact O-OG1 3.32Å; F10-T13 VanDerWaalsContact O-OG1 3.1Å; F10-I14 HydrophobicContact CD1-CD1 3.62Å; F10-I14 HydrophobicContact CD1-CG1 4.39Å; F10-I14 HydrophobicContact CE1-CD1 3.6Å; F10-I14 HydrophobicContact CE1-CG1 4.39Å; F10-I14 WeakPolarHBondContact O-CB 3.46Å; F10-I14 VanDerWaalsContact O-CG1 3.3Å; F10-I14 WeakPolarHBondContact O-CG1 3.38Å; F10-I14 PolarHBondContact O-N 3.39Å |
| 11 | L | 70.1 | Confident | 66.3 | Low | 95 Ų | 95 | 129.8 Ų | 129.8 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.5 | -37.1 | 173.4 | -74.4 | 166.3 | 0 | 0 | 0 | 112.5 | H7 R8 N15 | H7-L11 WeakPolarHBondContact O-CG 3.33Å; H7-L11 PolarHBondContact O-N 3.31Å; R8-L11 PolarHBondContact O-N 3.35Å; L11-N15 WeakPolarHBondContact O-CB 3.5Å; L11-N15 PolarHBondContact O-N 3.47Å |
| 12 | L | 69.5 | Low | 67.5 | Low | 118 Ų | 118 | 123.4 Ų | 123.4 | 62% | 0.618 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.9 | -41.9 | 172.9 | -95 | 149.1 | 0 | 0 | 0 | 111.9 | R8 Y9 N15 Y16 | R8-L12 WeakPolarHBondContact O-CB 3.13Å; R8-L12 PolarHBondContact O-N 2.6Å; Y9-L12 PolarHBondContact O-N 3.27Å; L12-N15 PolarHBondContact O-N 3.28Å; L12-Y16 WeakPolarHBondContact O-CB 3.42Å; L12-Y16 PolarHBondContact O-N 3.27Å |
| 13 | T | 72.1 | Confident | 68.5 | Low | 56 Ų | 56 | 118.2 Ų | 118.2 | 34% | 0.344 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.9 | -35.9 | 176.5 | 44 | 0 | 0 | 0 | 0 | 112.5 | Y9 F10 Y16 L17 | Y9-T13 HydrophobicContact CD1-CG2 4.28Å; Y9-T13 WeakPolarHBondContact O-CB 3.34Å; Y9-T13 WeakPolarHBondContact O-CG2 3.45Å; Y9-T13 PolarHBondContact O-N 3.35Å; Y9-T13 PolarHBondContact O-OG1 3.32Å; F10-T13 WeakPolarHBondContact CA-OG1 3.41Å; F10-T13 PolarHBondContact O-N 3.36Å; F10-T13 PolarHBondContact O-OG1 3.32Å; F10-T13 VanDerWaalsContact O-OG1 3.1Å; T13-Y16 PolarHBondContact O-N 3.18Å; T13-L17 VanDerWaalsContact O-CB 3.32Å; T13-L17 WeakPolarHBondContact O-CB 3.46Å; T13-L17 VanDerWaalsContact O-CG 3.23Å; T13-L17 WeakPolarHBondContact O-CG 3.5Å; T13-L17 PolarHBondContact O-N 3.14Å |
| 14 | I | 73.5 | Confident | 69.4 | Low | 77 Ų | 77 | 113.2 Ų | 113.2 | 40% | 0.395 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -48.9 | 169.8 | -72.9 | 169.5 | 0 | 0 | 0 | 110.8 | F10 Y16 L17 F18 | F10-I14 HydrophobicContact CD1-CD1 3.62Å; F10-I14 HydrophobicContact CD1-CG1 4.39Å; F10-I14 HydrophobicContact CE1-CD1 3.6Å; F10-I14 HydrophobicContact CE1-CG1 4.39Å; F10-I14 WeakPolarHBondContact O-CB 3.46Å; F10-I14 VanDerWaalsContact O-CG1 3.3Å; F10-I14 WeakPolarHBondContact O-CG1 3.38Å; F10-I14 PolarHBondContact O-N 3.39Å; I14-Y16 VanDerWaalsContact C-N 3.32Å; I14-Y16 PolarHBondContact O-N 3.37Å; I14-L17 PolarHBondContact O-N 3.12Å; I14-F18 WeakPolarHBondContact O-CB 3.31Å; I14-F18 PolarHBondContact O-N 3.38Å |
| 15 | N | 74.9 | Confident | 69.9 | Low | 111 Ų | 111 | 111 Ų | 111 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -39.9 | 177.4 | -83.2 | -7.1 | 0 | 0 | 0 | 111.4 | L11 L12 F18 Y19 | L11-N15 WeakPolarHBondContact O-CB 3.5Å; L11-N15 PolarHBondContact O-N 3.47Å; L12-N15 PolarHBondContact O-N 3.28Å; N15-F18 PolarHBondContact O-N 3.42Å; N15-Y19 WeakPolarHBondContact O-CB 3.15Å; N15-Y19 PolarHBondContact O-N 3.37Å |
| 16 | Y | 75.1 | Confident | 70.3 | Confident | 161 Ų | 161 | 112.3 Ų | 112.3 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 175 | -176.8 | -98.3 | 0 | 0 | 0 | 111.5 | L12 T13 I14 F18 Y19 V20 | L12-Y16 WeakPolarHBondContact O-CB 3.42Å; L12-Y16 PolarHBondContact O-N 3.27Å; T13-Y16 PolarHBondContact O-N 3.18Å; I14-Y16 VanDerWaalsContact C-N 3.32Å; I14-Y16 PolarHBondContact O-N 3.37Å; Y16-F18 VanDerWaalsContact C-N 3.31Å; Y16-F18 PolarHBondContact O-N 3.11Å; Y16-Y19 PolarHBondContact O-N 3.23Å; Y16-V20 HydrophobicContact CD1-CG2 4.02Å; Y16-V20 HydrophobicContact CE1-CG2 3.65Å; Y16-V20 HydrophobicContact CE2-CG2 4.24Å; Y16-V20 HydrophobicContact CG-CG2 4.47Å; Y16-V20 WeakPolarHBondContact O-CB 3.45Å; Y16-V20 VanDerWaalsContact O-CG2 3.29Å; Y16-V20 WeakPolarHBondContact O-CG2 3.24Å; Y16-V20 PolarHBondContact O-N 3.24Å |
| 17 | L | 73.9 | Confident | 70.5 | Confident | 115 Ų | 115 | 109.7 Ų | 109.7 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -37.3 | 173.8 | -75.1 | 167.7 | 0 | 0 | 0 | 112 | T13 I14 W21 | T13-L17 VanDerWaalsContact O-CB 3.32Å; T13-L17 WeakPolarHBondContact O-CB 3.46Å; T13-L17 VanDerWaalsContact O-CG 3.23Å; T13-L17 WeakPolarHBondContact O-CG 3.5Å; T13-L17 PolarHBondContact O-N 3.14Å; I14-L17 PolarHBondContact O-N 3.12Å; L17-W21 WeakPolarHBondContact O-CB 3.38Å; L17-W21 PolarHBondContact O-N 3.45Å |
| 18 | F | 74.3 | Confident | 70.6 | Confident | 118 Ų | 118 | 108.7 Ų | 108.7 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.9 | -37.7 | 175.9 | -149.9 | -93.8 | 0 | 0 | 0 | 111.6 | I14 N15 Y16 W21 I22 | I14-F18 WeakPolarHBondContact O-CB 3.31Å; I14-F18 PolarHBondContact O-N 3.38Å; N15-F18 PolarHBondContact O-N 3.42Å; Y16-F18 VanDerWaalsContact C-N 3.31Å; Y16-F18 PolarHBondContact O-N 3.11Å; F18-W21 PolarHBondContact O-N 3.27Å; F18-I22 HydrophobicContact CD1-CD1 3.65Å; F18-I22 HydrophobicContact CD1-CG1 4.24Å; F18-I22 HydrophobicContact CE1-CD1 3.8Å; F18-I22 HydrophobicContact CE1-CG1 4.36Å; F18-I22 WeakPolarHBondContact O-CB 3.01Å; F18-I22 VanDerWaalsContact O-CG1 3.29Å; F18-I22 WeakPolarHBondContact O-CG1 3.44Å; F18-I22 PolarHBondContact O-N 3.42Å |
| 19 | Y | 72.4 | Confident | 70.3 | Confident | 161 Ų | 161 | 104 Ų | 104 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.9 | -41.3 | 175.9 | -142.1 | -88.4 | 0 | 0 | 0 | 111.5 | N15 Y16 W21 I22 I23 | N15-Y19 WeakPolarHBondContact O-CB 3.15Å; N15-Y19 PolarHBondContact O-N 3.37Å; Y16-Y19 PolarHBondContact O-N 3.23Å; Y19-W21 VanDerWaalsContact C-N 3.31Å; Y19-I22 PolarHBondContact O-N 3.22Å; Y19-I23 HydrophobicContact CD1-CD1 3.63Å; Y19-I23 HydrophobicContact CD1-CG1 4.17Å; Y19-I23 HydrophobicContact CE1-CD1 3.95Å; Y19-I23 HydrophobicContact CE1-CG1 4.43Å; Y19-I23 WeakPolarHBondContact O-CB 3.49Å; Y19-I23 VanDerWaalsContact O-CG1 3.26Å; Y19-I23 WeakPolarHBondContact O-CG1 3Å; Y19-I23 PolarHBondContact O-N 2.87Å |
| 20 | V | 75.7 | Confident | 70 | Confident | 51 Ų | 51 | 102.2 Ų | 102.2 | 31% | 0.309 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 170.3 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | Y16 I23 C24 | Y16-V20 HydrophobicContact CD1-CG2 4.02Å; Y16-V20 HydrophobicContact CE1-CG2 3.65Å; Y16-V20 HydrophobicContact CE2-CG2 4.24Å; Y16-V20 HydrophobicContact CG-CG2 4.47Å; Y16-V20 WeakPolarHBondContact O-CB 3.45Å; Y16-V20 VanDerWaalsContact O-CG2 3.29Å; Y16-V20 WeakPolarHBondContact O-CG2 3.24Å; Y16-V20 PolarHBondContact O-N 3.24Å; V20-I23 PolarHBondContact O-N 2.94Å; V20-C24 VanDerWaalsContact O-CB 3.25Å; V20-C24 WeakPolarHBondContact O-CB 3.3Å; V20-C24 PolarHBondContact O-N 2.73Å; V20-C24 PolarHBondContact O-SG 3.23Å |
| 21 | W | 75.9 | Confident | 69.5 | Low | 154 Ų | 154 | 99.5 Ų | 99.5 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.4 | -41.1 | 175.5 | -170.6 | 68.4 | 0 | 0 | 0 | 112.2 | L17 F18 Y19 C24 I25 | L17-W21 WeakPolarHBondContact O-CB 3.38Å; L17-W21 PolarHBondContact O-N 3.45Å; F18-W21 PolarHBondContact O-N 3.27Å; Y19-W21 VanDerWaalsContact C-N 3.31Å; W21-C24 CarbonylContact O-C 3.52Å; W21-C24 PolarHBondContact O-N 3.16Å; W21-I25 HydrophobicContact CD2-CD1 3.65Å; W21-I25 HydrophobicContact CE3-CD1 3.68Å; W21-I25 HydrophobicContact CG-CD1 4.41Å; W21-I25 HydrophobicContact CH2-CD1 3.67Å; W21-I25 HydrophobicContact CZ2-CD1 3.64Å; W21-I25 HydrophobicContact CZ3-CD1 3.68Å; W21-I25 WeakPolarHBondContact O-CB 3.28Å; W21-I25 VanDerWaalsContact O-CG1 3.31Å; W21-I25 WeakPolarHBondContact O-CG1 3.28Å; W21-I25 PolarHBondContact O-N 3.18Å |
| 22 | I | 73.4 | Confident | 68.7 | Low | 67 Ų | 67 | 100.2 Ų | 100.2 | 34% | 0.344 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 171.7 | -72.3 | 170.4 | 0 | 0 | 0 | 110.8 | F18 Y19 I25 H26 | F18-I22 HydrophobicContact CD1-CD1 3.65Å; F18-I22 HydrophobicContact CD1-CG1 4.24Å; F18-I22 HydrophobicContact CE1-CD1 3.8Å; F18-I22 HydrophobicContact CE1-CG1 4.36Å; F18-I22 WeakPolarHBondContact O-CB 3.01Å; F18-I22 VanDerWaalsContact O-CG1 3.29Å; F18-I22 WeakPolarHBondContact O-CG1 3.44Å; F18-I22 PolarHBondContact O-N 3.42Å; Y19-I22 PolarHBondContact O-N 3.22Å; I22-I25 PolarHBondContact O-N 3.21Å; I22-H26 WeakPolarHBondContact O-CB 3.49Å; I22-H26 PolarHBondContact O-CD2 3.37Å; I22-H26 PolarHBondContact O-N 3.29Å |
| 23 | I | 71.8 | Confident | 67.8 | Low | 85 Ų | 85 | 96.5 Ų | 96.5 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 174.4 | -71.8 | 171.2 | 0 | 0 | 0 | 110.3 | Y19 V20 I25 H26 V27 | Y19-I23 HydrophobicContact CD1-CD1 3.63Å; Y19-I23 HydrophobicContact CD1-CG1 4.17Å; Y19-I23 HydrophobicContact CE1-CD1 3.95Å; Y19-I23 HydrophobicContact CE1-CG1 4.43Å; Y19-I23 WeakPolarHBondContact O-CB 3.49Å; Y19-I23 VanDerWaalsContact O-CG1 3.26Å; Y19-I23 WeakPolarHBondContact O-CG1 3Å; Y19-I23 PolarHBondContact O-N 2.87Å; V20-I23 PolarHBondContact O-N 2.94Å; I23-I25 VanDerWaalsContact C-N 3.3Å; I23-I25 PolarHBondContact O-N 3.27Å; I23-H26 PolarHBondContact O-N 3.26Å; I23-V27 HydrophobicContact CG2-CG2 3.93Å; I23-V27 WeakPolarHBondContact O-CA 3.38Å; I23-V27 WeakPolarHBondContact O-CB 3.42Å; I23-V27 VanDerWaalsContact O-CG2 3.22Å; I23-V27 WeakPolarHBondContact O-CG2 3.47Å; I23-V27 PolarHBondContact O-N 3.46Å |
| 24 | C | 69 | Low | 66.7 | Low | 61 Ų | 61 | 97.7 Ų | 97.7 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.2 | -31.3 | 174.6 | -76.9 | 0 | 0 | 0 | 0 | 112.1 | V20 W21 N28 | V20-C24 VanDerWaalsContact O-CB 3.25Å; V20-C24 WeakPolarHBondContact O-CB 3.3Å; V20-C24 PolarHBondContact O-N 2.73Å; V20-C24 PolarHBondContact O-SG 3.23Å; W21-C24 CarbonylContact O-C 3.52Å; W21-C24 PolarHBondContact O-N 3.16Å; C24-N28 WeakPolarHBondContact O-CA 3.14Å; C24-N28 WeakPolarHBondContact O-CB 3.49Å; C24-N28 PolarHBondContact O-N 3.12Å; C24-N28 PolarHBondContact O-ND2 2.96Å |
| 25 | I | 71 | Confident | 65.4 | Low | 67 Ų | 67 | 98.4 Ų | 98.4 | 34% | 0.344 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.8 | -45.9 | 170.6 | -72.9 | 166.6 | 0 | 0 | 0 | 110.3 | W21 I22 I23 N28 C29 | W21-I25 HydrophobicContact CD2-CD1 3.65Å; W21-I25 HydrophobicContact CE3-CD1 3.68Å; W21-I25 HydrophobicContact CG-CD1 4.41Å; W21-I25 HydrophobicContact CH2-CD1 3.67Å; W21-I25 HydrophobicContact CZ2-CD1 3.64Å; W21-I25 HydrophobicContact CZ3-CD1 3.68Å; W21-I25 WeakPolarHBondContact O-CB 3.28Å; W21-I25 VanDerWaalsContact O-CG1 3.31Å; W21-I25 WeakPolarHBondContact O-CG1 3.28Å; W21-I25 PolarHBondContact O-N 3.18Å; I22-I25 PolarHBondContact O-N 3.21Å; I23-I25 VanDerWaalsContact C-N 3.3Å; I23-I25 PolarHBondContact O-N 3.27Å; I25-N28 PolarHBondContact O-N 3.38Å; I25-C29 WeakPolarHBondContact O-CA 3.42Å; I25-C29 WeakPolarHBondContact O-CB 3.41Å; I25-C29 PolarHBondContact O-N 3.25Å; I25-C29 PolarHBondContact O-SG 2.89Å |
| 26 | H | 66.6 | Low | 64.2 | Low | 130 Ų | 130 | 97.9 Ų | 97.9 | 60% | 0.602 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.1 | -39.5 | 178.2 | -89.3 | -81 | 0 | 0 | 0 | 112.3 | I22 I23 C29 F30 | I22-H26 WeakPolarHBondContact O-CB 3.49Å; I22-H26 PolarHBondContact O-CD2 3.37Å; I22-H26 PolarHBondContact O-N 3.29Å; I23-H26 PolarHBondContact O-N 3.26Å; H26-C29 CarbonylContact O-C 3.58Å; H26-C29 PolarHBondContact O-N 2.81Å; H26-F30 WeakPolarHBondContact O-CA 3.49Å; H26-F30 WeakPolarHBondContact O-CB 3.45Å; H26-F30 PolarHBondContact O-N 3.45Å |
| 27 | V | 64.9 | Low | 62.8 | Low | 74 Ų | 74 | 96.2 Ų | 96.2 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.6 | -39.1 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | I23 F30 V31 | I23-V27 HydrophobicContact CG2-CG2 3.93Å; I23-V27 WeakPolarHBondContact O-CA 3.38Å; I23-V27 WeakPolarHBondContact O-CB 3.42Å; I23-V27 VanDerWaalsContact O-CG2 3.22Å; I23-V27 WeakPolarHBondContact O-CG2 3.47Å; I23-V27 PolarHBondContact O-N 3.46Å; V27-F30 PolarHBondContact O-N 3.14Å; V27-V31 HydrophobicContact CG1-CG2 4.02Å; V27-V31 WeakPolarHBondContact O-CA 3.47Å; V27-V31 WeakPolarHBondContact O-CB 3.33Å; V27-V31 WeakPolarHBondContact O-CG2 3.47Å; V27-V31 PolarHBondContact O-N 3.32Å |
| 28 | N | 63.2 | Low | 61.2 | Low | 106 Ų | 106 | 92.4 Ų | 92.4 | 57% | 0.567 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.7 | -37.6 | 171.5 | -75.7 | -14.3 | 0 | 0 | 0 | 111.4 | C24 I25 F30 Q32 | C24-N28 WeakPolarHBondContact O-CA 3.14Å; C24-N28 WeakPolarHBondContact O-CB 3.49Å; C24-N28 PolarHBondContact O-N 3.12Å; C24-N28 PolarHBondContact O-ND2 2.96Å; I25-N28 PolarHBondContact O-N 3.38Å; N28-F30 VanDerWaalsContact C-N 3.3Å; N28-F30 PolarHBondContact O-N 3.14Å; N28-Q32 WeakPolarHBondContact O-CA 3.18Å; N28-Q32 WeakPolarHBondContact O-CB 3.32Å; N28-Q32 PolarHBondContact O-N 3.21Å |
| 29 | C | 57.3 | Low | 59.4 | Low | 74 Ų | 74 | 90.8 Ų | 90.8 | 50% | 0.5 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.3 | -27.4 | 173 | -73.6 | 0 | 0 | 0 | 0 | 112.3 | I25 H26 S33 | I25-C29 WeakPolarHBondContact O-CA 3.42Å; I25-C29 WeakPolarHBondContact O-CB 3.41Å; I25-C29 PolarHBondContact O-N 3.25Å; I25-C29 PolarHBondContact O-SG 2.89Å; H26-C29 CarbonylContact O-C 3.58Å; H26-C29 PolarHBondContact O-N 2.81Å; C29-S33 WeakPolarHBondContact O-CA 3.41Å; C29-S33 WeakPolarHBondContact O-CB 3.42Å; C29-S33 PolarHBondContact O-N 2.75Å; C29-S33 PolarHBondContact O-OG 2.96Å |
| 30 | F | 58.6 | Low | 57.8 | Low | 135 Ų | 135 | 87.6 Ų | 87.6 | 59% | 0.592 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -86.7 | -36.8 | 178.3 | -168.2 | -105.2 | 0 | 0 | 0 | 112.2 | H26 V27 N28 Q32 S33 I34 | H26-F30 WeakPolarHBondContact O-CA 3.49Å; H26-F30 WeakPolarHBondContact O-CB 3.45Å; H26-F30 PolarHBondContact O-N 3.45Å; V27-F30 PolarHBondContact O-N 3.14Å; N28-F30 VanDerWaalsContact C-N 3.3Å; N28-F30 PolarHBondContact O-N 3.14Å; F30-Q32 VanDerWaalsContact C-N 3.32Å; F30-S33 WeakPolarHBondContact CA-OG 3.48Å; F30-S33 PolarHBondContact O-N 2.94Å; F30-S33 PolarHBondContact O-OG 3.03Å; F30-S33 VanDerWaalsContact O-OG 3.09Å; F30-I34 HydrophobicContact CD1-CD1 3.69Å; F30-I34 HydrophobicContact CD1-CG1 4.46Å; F30-I34 HydrophobicContact CE1-CD1 3.37Å; F30-I34 HydrophobicContact CE1-CG1 4.3Å; F30-I34 HydrophobicContact CZ-CD1 3.97Å; F30-I34 VanDerWaalsContact O-CB 3.27Å; F30-I34 WeakPolarHBondContact O-CB 3.13Å; F30-I34 VanDerWaalsContact O-CG1 3.25Å; F30-I34 WeakPolarHBondContact O-CG1 3.42Å; F30-I34 PolarHBondContact O-N 3.35Å |
| 31 | V | 56.7 | Low | 55.8 | Low | 73 Ų | 73 | 92.4 Ų | 92.4 | 44% | 0.442 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.1 | -33.8 | 167.1 | 171.1 | 0 | 0 | 0 | 0 | 109.8 | V27 N35 | V27-V31 HydrophobicContact CG1-CG2 4.02Å; V27-V31 WeakPolarHBondContact O-CA 3.47Å; V27-V31 WeakPolarHBondContact O-CB 3.33Å; V27-V31 WeakPolarHBondContact O-CG2 3.47Å; V27-V31 PolarHBondContact O-N 3.32Å; V31-N35 WeakPolarHBondContact O-CA 3.36Å; V31-N35 WeakPolarHBondContact O-CB 3.48Å; V31-N35 PolarHBondContact O-N 3.4Å |
| 32 | Q | 52.4 | Low | 53.8 | Low | 110 Ų | 110 | 91 Ų | 91 | 51% | 0.514 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76.4 | -30.4 | 170.9 | -173.9 | 171.4 | -19.5 | 0 | 0 | 111.5 | N28 F30 N35 E36 | N28-Q32 WeakPolarHBondContact O-CA 3.18Å; N28-Q32 WeakPolarHBondContact O-CB 3.32Å; N28-Q32 PolarHBondContact O-N 3.21Å; F30-Q32 VanDerWaalsContact C-N 3.32Å; Q32-N35 CarbonylContact O-C 3.51Å; Q32-E36 HydrophobicContact CG-CG 4.32Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.13Å; Q32-E36 PolarHBondContact NE2-OE1 3.38Å; Q32-E36 WeakPolarHBondContact O-CA 3.39Å; Q32-E36 WeakPolarHBondContact O-CB 3.47Å; Q32-E36 WeakPolarHBondContact O-CG 3.41Å; Q32-E36 PolarHBondContact O-N 3.25Å |
| 33 | S | 50.3 | Low | 51.7 | Low | 41 Ų | 41 | 90.6 Ų | 90.6 | 29% | 0.287 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.3 | -28.1 | 171 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | C29 F30 Q37 | C29-S33 WeakPolarHBondContact O-CA 3.41Å; C29-S33 WeakPolarHBondContact O-CB 3.42Å; C29-S33 PolarHBondContact O-N 2.75Å; C29-S33 PolarHBondContact O-OG 2.96Å; F30-S33 WeakPolarHBondContact CA-OG 3.48Å; F30-S33 PolarHBondContact O-N 2.94Å; F30-S33 PolarHBondContact O-OG 3.03Å; F30-S33 VanDerWaalsContact O-OG 3.09Å; S33-Q37 VanDerWaalsContact O-CB 3.24Å; S33-Q37 WeakPolarHBondContact O-CB 3.39Å; S33-Q37 VanDerWaalsContact O-CG 3.27Å; S33-Q37 WeakPolarHBondContact O-CG 3.03Å; S33-Q37 PolarHBondContact O-N 3.38Å |
| 34 | I | 49.2 | Very low | 49.7 | Very low | 80 Ų | 80 | 96.4 Ų | 96.4 | 41% | 0.41 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.8 | -38.5 | 170 | -73.9 | 171.8 | 0 | 0 | 0 | 110.3 | F30 E36 Q37 S38 | F30-I34 HydrophobicContact CD1-CD1 3.69Å; F30-I34 HydrophobicContact CD1-CG1 4.46Å; F30-I34 HydrophobicContact CE1-CD1 3.37Å; F30-I34 HydrophobicContact CE1-CG1 4.3Å; F30-I34 HydrophobicContact CZ-CD1 3.97Å; F30-I34 VanDerWaalsContact O-CB 3.27Å; F30-I34 WeakPolarHBondContact O-CB 3.13Å; F30-I34 VanDerWaalsContact O-CG1 3.25Å; F30-I34 WeakPolarHBondContact O-CG1 3.42Å; F30-I34 PolarHBondContact O-N 3.35Å; I34-E36 VanDerWaalsContact C-N 3.31Å; I34-Q37 PolarHBondContact O-N 2.83Å; I34-S38 VanDerWaalsContact O-CB 3.26Å; I34-S38 WeakPolarHBondContact O-CB 3.37Å; I34-S38 PolarHBondContact O-N 3.49Å; I34-S38 PolarHBondContact O-OG 3.15Å; I34-S38 VanDerWaalsContact O-OG 3.12Å |
| 35 | N | 46.4 | Very low | 47.8 | Very low | 93 Ų | 93 | 98.5 Ų | 98.5 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.5 | -27.8 | 169.9 | -96 | 2.2 | 0 | 0 | 0 | 111.5 | V31 Q32 S38 L39 | V31-N35 WeakPolarHBondContact O-CA 3.36Å; V31-N35 WeakPolarHBondContact O-CB 3.48Å; V31-N35 PolarHBondContact O-N 3.4Å; Q32-N35 CarbonylContact O-C 3.51Å; N35-S38 WeakPolarHBondContact CA-OG 3.13Å; N35-S38 PolarHBondContact O-OG 3.08Å; N35-L39 WeakPolarHBondContact O-CA 3.01Å; N35-L39 WeakPolarHBondContact O-CB 3.32Å; N35-L39 VanDerWaalsContact O-CD1 3.22Å; N35-L39 WeakPolarHBondContact O-CD1 3.48Å; N35-L39 PolarHBondContact O-N 3.36Å |
| 36 | E | 49.7 | Very low | 45.8 | Very low | 99 Ų | 99 | 103 Ų | 103 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -79 | -31.6 | 171 | -79.2 | 171.5 | -164.6 | 0 | 0 | 110.6 | Q32 I34 L39 I40 | Q32-E36 HydrophobicContact CG-CG 4.32Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.13Å; Q32-E36 PolarHBondContact NE2-OE1 3.38Å; Q32-E36 WeakPolarHBondContact O-CA 3.39Å; Q32-E36 WeakPolarHBondContact O-CB 3.47Å; Q32-E36 WeakPolarHBondContact O-CG 3.41Å; Q32-E36 PolarHBondContact O-N 3.25Å; I34-E36 VanDerWaalsContact C-N 3.31Å; E36-L39 CarbonylContact O-C 3.59Å; E36-I40 WeakPolarHBondContact O-CA 3.32Å; E36-I40 WeakPolarHBondContact O-CB 3.45Å; E36-I40 VanDerWaalsContact O-CD1 3.23Å; E36-I40 WeakPolarHBondContact O-CD1 3.44Å; E36-I40 WeakPolarHBondContact O-CG1 3.29Å; E36-I40 PolarHBondContact O-N 3.46Å |
| 37 | Q | 46.4 | Very low | 43.8 | Very low | 126 Ų | 126 | 100.3 Ų | 100.3 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.8 | -39.8 | 171 | -82.6 | 179.4 | -22.6 | 0 | 0 | 111.9 | S33 I34 I40 E41 | S33-Q37 VanDerWaalsContact O-CB 3.24Å; S33-Q37 WeakPolarHBondContact O-CB 3.39Å; S33-Q37 VanDerWaalsContact O-CG 3.27Å; S33-Q37 WeakPolarHBondContact O-CG 3.03Å; S33-Q37 PolarHBondContact O-N 3.38Å; I34-Q37 PolarHBondContact O-N 2.83Å; Q37-I40 CarbonylContact O-C 3.55Å; Q37-I40 PolarHBondContact O-N 3.26Å; Q37-I40 VanDerWaalsContact O-N 3.12Å; Q37-E41 PolarHBondContact O-N 3.06Å |
| 38 | S | 39.4 | Very low | 41.9 | Very low | 36 Ų | 36 | 103.3 Ų | 103.3 | 25% | 0.252 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.4 | -34.2 | 172.9 | 76.4 | 0 | 0 | 0 | 0 | 111.3 | I34 N35 I40 Q42 | I34-S38 VanDerWaalsContact O-CB 3.26Å; I34-S38 WeakPolarHBondContact O-CB 3.37Å; I34-S38 PolarHBondContact O-N 3.49Å; I34-S38 PolarHBondContact O-OG 3.15Å; I34-S38 VanDerWaalsContact O-OG 3.12Å; N35-S38 WeakPolarHBondContact CA-OG 3.13Å; N35-S38 PolarHBondContact O-OG 3.08Å; S38-I40 VanDerWaalsContact C-N 3.31Å; S38-Q42 WeakPolarHBondContact O-CA 3.38Å; S38-Q42 WeakPolarHBondContact O-CB 3.42Å; S38-Q42 VanDerWaalsContact O-CG 3.26Å; S38-Q42 WeakPolarHBondContact O-CG 3.4Å; S38-Q42 PolarHBondContact O-N 3.28Å |
| 39 | L | 37.2 | Very low | 40.3 | Very low | 84 Ų | 84 | 102.5 Ų | 102.5 | 44% | 0.44 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -29.5 | 163.1 | -101.3 | 69.5 | 0 | 0 | 0 | 111.3 | N35 E36 N43 | N35-L39 WeakPolarHBondContact O-CA 3.01Å; N35-L39 WeakPolarHBondContact O-CB 3.32Å; N35-L39 VanDerWaalsContact O-CD1 3.22Å; N35-L39 WeakPolarHBondContact O-CD1 3.48Å; N35-L39 PolarHBondContact O-N 3.36Å; E36-L39 CarbonylContact O-C 3.59Å; L39-N43 WeakPolarHBondContact CB-ND2 2.95Å; L39-N43 WeakPolarHBondContact CG-ND2 3.45Å; L39-N43 VanDerWaalsContact O-CA 3.24Å; L39-N43 WeakPolarHBondContact O-CA 3.11Å; L39-N43 WeakPolarHBondContact O-CB 3.15Å; L39-N43 PolarHBondContact O-N 2.8Å; L39-N43 PolarHBondContact O-ND2 3.38Å |
| 40 | I | 39.1 | Very low | 39 | Very low | 94 Ų | 94 | 105.7 Ų | 105.7 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.6 | -46.8 | 177.8 | -79.4 | 159.7 | 0 | 0 | 0 | 108.6 | E36 Q37 S38 Y44 | E36-I40 WeakPolarHBondContact O-CA 3.32Å; E36-I40 WeakPolarHBondContact O-CB 3.45Å; E36-I40 VanDerWaalsContact O-CD1 3.23Å; E36-I40 WeakPolarHBondContact O-CD1 3.44Å; E36-I40 WeakPolarHBondContact O-CG1 3.29Å; E36-I40 PolarHBondContact O-N 3.46Å; Q37-I40 CarbonylContact O-C 3.55Å; Q37-I40 PolarHBondContact O-N 3.26Å; Q37-I40 VanDerWaalsContact O-N 3.12Å; S38-I40 VanDerWaalsContact C-N 3.31Å; I40-Y44 HydrophobicContact CG2-CD2 3.95Å; I40-Y44 HydrophobicContact CG2-CE2 4.21Å; I40-Y44 VanDerWaalsContact O-CB 3.28Å; I40-Y44 WeakPolarHBondContact O-CB 3.04Å; I40-Y44 WeakPolarHBondContact O-CD2 3.25Å; I40-Y44 PolarHBondContact O-N 2.83Å |
| 41 | E | 33.3 | Very low | 37.8 | Very low | 152 Ų | 152 | 104.8 Ų | 104.8 | 71% | 0.71 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.3 | -37.3 | 177.4 | -68.2 | -174.8 | 159.1 | 0 | 0 | 112.8 | Q37 S45 | Q37-E41 PolarHBondContact O-N 3.06Å; E41-S45 PolarHBondContact O-OG 2.86Å |
| 42 | Q | 33.6 | Very low | 36.6 | Very low | 124 Ų | 124 | 108.7 Ų | 108.7 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -79.8 | -34.7 | 173.8 | -64.3 | -174 | -14.1 | 0 | 0 | 112.9 | S38 S45 Q46 | S38-Q42 WeakPolarHBondContact O-CA 3.38Å; S38-Q42 WeakPolarHBondContact O-CB 3.42Å; S38-Q42 VanDerWaalsContact O-CG 3.26Å; S38-Q42 WeakPolarHBondContact O-CG 3.4Å; S38-Q42 PolarHBondContact O-N 3.28Å; Q42-S45 CarbonylContact O-C 3.55Å; Q42-S45 WeakPolarHBondContact O-CA 3.28Å; Q42-S45 WeakPolarHBondContact O-CB 3.19Å; Q42-S45 PolarHBondContact O-N 3.23Å; Q42-Q46 WeakPolarHBondContact O-CB 3.33Å; Q42-Q46 PolarHBondContact O-N 2.04Å |
| 43 | N | 29.5 | Very low | 35.9 | Very low | 58 Ų | 58 | 110.2 Ų | 110.2 | 31% | 0.31 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -75.8 | -27 | 174.9 | -64.6 | -31.5 | 0 | 0 | 0 | 112.6 | L39 S45 Q46 N47 | L39-N43 WeakPolarHBondContact CB-ND2 2.95Å; L39-N43 WeakPolarHBondContact CG-ND2 3.45Å; L39-N43 VanDerWaalsContact O-CA 3.24Å; L39-N43 WeakPolarHBondContact O-CA 3.11Å; L39-N43 WeakPolarHBondContact O-CB 3.15Å; L39-N43 PolarHBondContact O-N 2.8Å; L39-N43 PolarHBondContact O-ND2 3.38Å; N43-S45 PolarHBondContact O-N 3.34Å; N43-Q46 PolarHBondContact O-N 2.93Å; N43-N47 HydrophobicContact CB-CB 3.66Å; N43-N47 VanDerWaalsContact CG-CB 3.48Å; N43-N47 PolarHBondContact O-N 2.99Å; N43-N47 WeakPolarHBondContact OD1-CB 3.46Å |
| 44 | Y | 29.4 | Very low | 35.5 | Very low | 208 Ų | 208 | 113.8 Ų | 113.8 | 82% | 0.816 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.8 | -20.9 | 164.3 | -100.1 | -75.4 | 0 | 0 | 0 | 112 | I40 | I40-Y44 HydrophobicContact CG2-CD2 3.95Å; I40-Y44 HydrophobicContact CG2-CE2 4.21Å; I40-Y44 VanDerWaalsContact O-CB 3.28Å; I40-Y44 WeakPolarHBondContact O-CB 3.04Å; I40-Y44 WeakPolarHBondContact O-CD2 3.25Å; I40-Y44 PolarHBondContact O-N 2.83Å |
| 45 | S | 29 | Very low | 35.5 | Very low | 104 Ų | 104 | 113.3 Ų | 113.3 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -102.5 | -19.6 | 175.9 | -53 | 0 | 0 | 0 | 0 | 114.4 | E41 Q42 N43 | E41-S45 PolarHBondContact O-OG 2.86Å; Q42-S45 CarbonylContact O-C 3.55Å; Q42-S45 WeakPolarHBondContact O-CA 3.28Å; Q42-S45 WeakPolarHBondContact O-CB 3.19Å; Q42-S45 PolarHBondContact O-N 3.23Å; N43-S45 PolarHBondContact O-N 3.34Å |
| 46 | Q | 28.8 | Very low | 36.2 | Very low | 161 Ų | 161 | 112.9 Ų | 112.9 | 75% | 0.752 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -145.3 | -2.7 | -167.2 | -115.1 | 178.5 | 9 | 0 | 0 | 117.5 | Q42 N43 | Q42-Q46 WeakPolarHBondContact O-CB 3.33Å; Q42-Q46 PolarHBondContact O-N 2.04Å; N43-Q46 PolarHBondContact O-N 2.93Å |
| 47 | N | 26.2 | Very low | 37.2 | Very low | 74 Ų | 74 | 109.1 Ų | 109.1 | 40% | 0.396 | 57% | 0.569 | S | S | . | * | trans | -138.2 | 54.1 | -178.4 | -145.3 | -11.7 | 0 | 0 | 0 | 115.3 | N43 N49 | N43-N47 HydrophobicContact CB-CB 3.66Å; N43-N47 VanDerWaalsContact CG-CB 3.48Å; N43-N47 PolarHBondContact O-N 2.99Å; N43-N47 WeakPolarHBondContact OD1-CB 3.46Å; N47-N49 PolarHBondContact OD1-N 2.89Å; N47-N49 PolarHBondContact OD1-O 3.41Å | ||
| 48 | N | 25.1 | Very low | 38.6 | Very low | 138 Ų | 138 | 103.4 Ų | 103.4 | 74% | 0.738 | 54% | 0.542 | S | S | * | . | trans | -75.5 | 1.9 | 149 | -127.8 | -16.2 | 0 | 0 | 0 | 112 | N50 | N48-N50 PolarHBondContact O-N 2.85Š| ||
| 49 | N | 29.4 | Very low | 40.3 | Very low | 89 Ų | 89 | 106.8 Ų | 106.8 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.4 | 58.2 | -171.8 | -74.5 | -7.5 | 0 | 0 | 0 | 113.2 | N47 | N47-N49 PolarHBondContact OD1-N 2.89Å; N47-N49 PolarHBondContact OD1-O 3.41Å |
| 50 | N | 30.3 | Very low | 42.3 | Very low | 141 Ų | 141 | 103.4 Ų | 103.4 | 75% | 0.754 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.7 | 4.9 | 150.6 | -97.8 | -44.4 | 0 | 0 | 0 | 113.5 | N48 | N48-N50 PolarHBondContact O-N 2.85Š|
| 51 | N | 32.3 | Very low | 43.9 | Very low | 115 Ų | 115 | 102.4 Ų | 102.4 | 62% | 0.615 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -86.1 | 122.2 | 153.7 | -74.2 | -42.5 | 0 | 0 | 0 | 106.9 | N53 | N51-N53 PolarHBondContact O-N 3.09Š|
| 52 | N | 32.6 | Very low | 45.8 | Very low | 155 Ų | 155 | 101.3 Ų | 101.3 | 83% | 0.829 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -68.1 | 23.8 | -176.1 | -81.9 | -21 | 0 | 0 | 0 | 115.3 | N54 | N52-N54 PolarHBondContact O-N 2.76Š|
| 53 | N | 37.9 | Very low | 47.6 | Very low | 142 Ų | 142 | 98 Ų | 98 | 76% | 0.759 | 54% | 0.539 | S | S | * | . | trans | -86.5 | 63.6 | 162.6 | -64 | -13.4 | 0 | 0 | 0 | 108.5 | N51 P55 | N51-N53 PolarHBondContact O-N 3.09Å; N53-P55 VanDerWaalsContact O-CD 3.3Å; N53-P55 WeakPolarHBondContact O-CD 3.43Å | ||
| 54 | N | 40.8 | Very low | 49.8 | Very low | 117 Ų | 117 | 99.5 Ų | 99.5 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 116.9 | 170 | -91.9 | 1.4 | 0 | 0 | 0 | 107.5 | N52 I56 | N52-N54 PolarHBondContact O-N 2.76Å; N54-I56 PolarHBondContact O-N 3.31Å |
| 55 | P | 50.4 | Low | 51.9 | Low | 69 Ų | 69 | 95.6 Ų | 95.6 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 116.9 | 179.8 | 26 | -32.9 | 0 | 0 | 0 | 106.8 | N53 G57 W65 | N53-P55 VanDerWaalsContact O-CD 3.3Å; N53-P55 WeakPolarHBondContact O-CD 3.43Å; P55-G57 PolarHBondContact O-N 2.84Å; P55-W65 HydrophobicContact CB-CH2 4.12Å; P55-W65 HydrophobicContact CB-CZ2 3.74Å; P55-W65 HydrophobicContact CG-CZ2 3.95Å; P55-W65 WeakPolarHBondContact O-CZ2 3.49Å |
| 56 | I | 60.2 | Low | 53.8 | Low | 85 Ų | 85 | 94 Ų | 94 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 125.7 | -179.4 | -56.3 | 173.4 | 0 | 0 | 0 | 106.2 | N54 L68 A89 | N54-I56 PolarHBondContact O-N 3.31Å; I56-L68 HydrophobicContact CB-CD1 3.87Å; I56-L68 HydrophobicContact CB-CG 4.36Å; I56-L68 HydrophobicContact CG2-CD1 3.73Å; I56-L68 HydrophobicContact CG2-CD2 4.02Å; I56-L68 HydrophobicContact CG2-CG 4.03Å; I56-L68 WeakPolarHBondContact O-CG 3.46Å; I56-A89 HydrophobicContact CG2-CB 3.95Å |
| 57 | G | 71 | Confident | 55.9 | Low | 20 Ų | 20 | 87.4 Ų | 87.4 | 21% | 0.206 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | 165.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P55 R66 A89 | P55-G57 PolarHBondContact O-N 2.84Å; G57-R66 CarbonylContact C-O 3.53Å; G57-R66 WeakPolarHBondContact CA-O 3.37Å; G57-A89 VanDerWaalsContact C-CB 3.43Å; G57-A89 WeakPolarHBondContact O-CB 3.14Å |
| 58 | C | 75.6 | Confident | 57.9 | Low | 6 Ų | 6 | 86.7 Ų | 86.7 | 4% | 0.041 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 171.5 | -173.2 | -54 | 0 | 0 | 0 | 0 | 111 | W65 R66 W72 C82 A89 | C58-W65 WeakPolarHBondContact O-CA 3.37Å; C58-R66 HydrophobicContact CB-CB 4.41Å; C58-R66 PolarHBondContact N-O 2.96Å; C58-R66 PolarHBondContact O-N 2.05Å; C58-W72 HydrophobicContact CB-CH2 3.99Å; C58-C82 HydrophobicContact CB-CB 3.7Å; C58-C82 WeakPolarHBondContact CB-SG 2.86Å; C58-C82 PolarHBondContact N-SG 2.88Å; C58-C82 WeakPolarHBondContact SG-CA 3.12Å; C58-C82 WeakPolarHBondContact SG-CB 3Å; C58-C82 CovalentContact SG-SG 2.04Å; C58-C82 PolarHBondContact SG-SG 2.88Å; C58-A89 VanDerWaalsContact SG-CB 3.57Å |
| 59 | I | 75.5 | Confident | 59.8 | Low | 107 Ų | 107 | 87.5 Ų | 87.5 | 55% | 0.549 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.9 | 173.1 | -57.5 | 176.2 | 0 | 0 | 0 | 106.6 | I64 | I59-I64 WeakPolarHBondContact CA-O 3.12Å |
| 60 | D | 78.1 | Confident | 61.8 | Low | 12 Ų | 12 | 84.8 Ų | 84.8 | 6% | 0.064 | 46% | 0.464 | C | S | . | . | trans | -88.4 | 177.7 | 177.2 | 63 | 23.5 | 0 | 0 | 0 | 112.9 | D62 G63 I64 R66 W72 | D60-D62 PolarHBondContact O-N 2.9Å; D60-D62 VanDerWaalsContact O-N 3.12Å; D60-D62 PolarHBondContact OD1-N 3.15Å; D60-D62 VanDerWaalsContact OD1-N 3.16Å; D60-G63 PolarHBondContact O-N 3.41Å; D60-G63 PolarHBondContact OD1-N 3.45Å; D60-I64 PolarHBondContact N-O 3.29Å; D60-I64 VanDerWaalsContact N-O 3.13Å; D60-I64 WeakPolarHBondContact OD1-CB 3.26Å; D60-I64 PolarHBondContact OD1-N 3.13Å; D60-R66 HydrophobicContact CB-CG 4.41Å; D60-R66 IonicContact OD2-CZ 3.45Å; D60-R66 IonicContact OD2-NE 3.64Å; D60-R66 PolarHBondContact OD2-NE 2.83Å; D60-R66 IonicContact OD2-NH2 2.81Å; D60-R66 PolarHBondContact OD2-NH2 3.39Å; D60-W72 HydrophobicContact CB-CZ2 4.11Å; D60-W72 VanDerWaalsContact CB-NE1 3.29Å | ||
| 61 | S | 74 | Confident | 64 | Low | 74 Ų | 74 | 81.9 Ų | 81.9 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.1 | 178.6 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | G63 E74 | S61-G63 VanDerWaalsContact C-N 3.3Å; S61-E74 WeakPolarHBondContact CB-OE1 3.29Å; S61-E74 PolarHBondContact N-OE1 3.4Å; S61-E74 WeakPolarHBondContact OG-CG 3.22Å |
| 62 | D | 71.8 | Confident | 66.1 | Low | 129 Ų | 129 | 77 Ų | 77 | 69% | 0.69 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.4 | -175.2 | -60.7 | -10.9 | 0 | 0 | 0 | 111.6 | D60 I64 | D60-D62 PolarHBondContact O-N 2.9Å; D60-D62 VanDerWaalsContact O-N 3.12Å; D60-D62 PolarHBondContact OD1-N 3.15Å; D60-D62 VanDerWaalsContact OD1-N 3.16Å; D62-I64 HydrophobicContact CB-CD1 4.29Å; D62-I64 HydrophobicContact CB-CG1 4.29Å |
| 63 | G | 72.1 | Confident | 68.3 | Low | 55 Ų | 55 | 72.9 Ų | 72.9 | 57% | 0.567 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 83.1 | 10.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D60 S61 | D60-G63 PolarHBondContact O-N 3.41Å; D60-G63 PolarHBondContact OD1-N 3.45Å; S61-G63 VanDerWaalsContact C-N 3.3Å |
| 64 | I | 75.2 | Confident | 70 | Confident | 88 Ų | 88 | 69.4 Ų | 69.4 | 45% | 0.451 | 38% | 0.38 | S | S | . | . | trans | -82.6 | 131.7 | -179.2 | -55.4 | 172.2 | 0 | 0 | 0 | 109.2 | I59 D60 D62 | I59-I64 WeakPolarHBondContact CA-O 3.12Å; D60-I64 PolarHBondContact N-O 3.29Å; D60-I64 VanDerWaalsContact N-O 3.13Å; D60-I64 WeakPolarHBondContact OD1-CB 3.26Å; D60-I64 PolarHBondContact OD1-N 3.13Å; D62-I64 HydrophobicContact CB-CD1 4.29Å; D62-I64 HydrophobicContact CB-CG1 4.29Å | ||
| 65 | W | 73.3 | Confident | 71.4 | Confident | 126 Ų | 126 | 68.8 Ų | 68.8 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 133.5 | 176.7 | -172.9 | 90.8 | 0 | 0 | 0 | 111.5 | P55 C58 G67 | P55-W65 HydrophobicContact CB-CH2 4.12Å; P55-W65 HydrophobicContact CB-CZ2 3.74Å; P55-W65 HydrophobicContact CG-CZ2 3.95Å; P55-W65 WeakPolarHBondContact O-CZ2 3.49Å; C58-W65 WeakPolarHBondContact O-CA 3.37Å; W65-G67 VanDerWaalsContact CH2-CA 3.47Å |
| 66 | R | 70.2 | Confident | 72.2 | Confident | 72 Ų | 72 | 70.6 Ų | 70.6 | 27% | 0.272 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.4 | -174.2 | -63.3 | -66.4 | -178.1 | 169.9 | -0.9 | 108.9 | G57 C58 D60 S70 W72 | G57-R66 CarbonylContact C-O 3.53Å; G57-R66 WeakPolarHBondContact CA-O 3.37Å; C58-R66 HydrophobicContact CB-CB 4.41Å; C58-R66 PolarHBondContact N-O 2.96Å; C58-R66 PolarHBondContact O-N 2.05Å; D60-R66 HydrophobicContact CB-CG 4.41Å; D60-R66 IonicContact OD2-CZ 3.45Å; D60-R66 IonicContact OD2-NE 3.64Å; D60-R66 PolarHBondContact OD2-NE 2.83Å; D60-R66 IonicContact OD2-NH2 2.81Å; D60-R66 PolarHBondContact OD2-NH2 3.39Å; R66-S70 WeakPolarHBondContact CB-OG 3.29Å; R66-W72 HydrophobicContact CB-CE3 3.99Å; R66-W72 HydrophobicContact CB-CH2 4.09Å; R66-W72 HydrophobicContact CB-CZ3 3.69Å; R66-W72 HydrophobicContact CG-CD2 3.92Å; R66-W72 HydrophobicContact CG-CE3 3.72Å; R66-W72 HydrophobicContact CG-CH2 4.13Å; R66-W72 HydrophobicContact CG-CZ2 4.3Å; R66-W72 HydrophobicContact CG-CZ3 3.85Å |
| 67 | G | 71.3 | Confident | 72.5 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 160.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | W65 F69 S70 C82 | W65-G67 VanDerWaalsContact CH2-CA 3.47Å; G67-F69 PolarHBondContact O-N 3.23Å; G67-S70 PolarHBondContact N-OG 3.22Å; G67-S70 VanDerWaalsContact O-CB 3.22Å; G67-S70 WeakPolarHBondContact O-CB 3.35Å; G67-S70 PolarHBondContact O-N 3.32Å; G67-S70 PolarHBondContact O-OG 3.42Å; G67-C82 WeakPolarHBondContact O-CB 3.38Å |
| 68 | L | 68.9 | Low | 72.5 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 140.3 | 172.6 | -80.5 | 175.6 | 0 | 0 | 0 | 112 | I56 S70 P84 A89 | I56-L68 HydrophobicContact CB-CD1 3.87Å; I56-L68 HydrophobicContact CB-CG 4.36Å; I56-L68 HydrophobicContact CG2-CD1 3.73Å; I56-L68 HydrophobicContact CG2-CD2 4.02Å; I56-L68 HydrophobicContact CG2-CG 4.03Å; I56-L68 WeakPolarHBondContact O-CG 3.46Å; L68-S70 PolarHBondContact O-N 2.91Å; L68-S70 VanDerWaalsContact O-N 3.13Å; L68-P84 HydrophobicContact CD1-CB 4.05Å; L68-P84 HydrophobicContact CD1-CG 4.49Å; L68-P84 HydrophobicContact CD2-CB 3.54Å; L68-P84 HydrophobicContact CD2-CG 3.95Å; L68-P84 HydrophobicContact CG-CB 4.42Å; L68-A89 HydrophobicContact CD2-CB 3.76Å |
| 69 | F | 65.2 | Low | 72.5 | Confident | 155 Ų | 155 | 71.9 Ų | 71.9 | 68% | 0.68 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 4.4 | -175 | -46.1 | -76 | 0 | 0 | 0 | 115.6 | G67 C82 P84 | G67-F69 PolarHBondContact O-N 3.23Å; F69-C82 WeakPolarHBondContact CA-O 3.05Å; F69-C82 PolarHBondContact N-O 3.12Å; F69-P84 HydrophobicContact CE1-CG 3.6Å; F69-P84 HydrophobicContact CE2-CG 4.11Å; F69-P84 HydrophobicContact CZ-CG 3.37Å |
| 70 | S | 71.2 | Confident | 72.7 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | trans | -72 | 150.9 | 172.7 | 70 | 0 | 0 | 0 | 0 | 111.8 | R66 G67 L68 T81 C82 | R66-S70 WeakPolarHBondContact CB-OG 3.29Å; G67-S70 PolarHBondContact N-OG 3.22Å; G67-S70 VanDerWaalsContact O-CB 3.22Å; G67-S70 WeakPolarHBondContact O-CB 3.35Å; G67-S70 PolarHBondContact O-N 3.32Å; G67-S70 PolarHBondContact O-OG 3.42Å; L68-S70 PolarHBondContact O-N 2.91Å; L68-S70 VanDerWaalsContact O-N 3.13Å; S70-T81 WeakPolarHBondContact O-CA 3.45Å; S70-C82 PolarHBondContact O-N 2.85Å | ||
| 71 | T | 75.9 | Confident | 72.6 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144.4 | 179.6 | 65.7 | 0 | 0 | 0 | 0 | 110.1 | C80 T81 | T71-C80 CarbonylContact C-O 3.6Å; T71-C80 VanDerWaalsContact CA-O 3.22Å; T71-C80 WeakPolarHBondContact CA-O 3.03Å; T71-T81 HydrophobicContact CG2-CG2 3.53Å |
| 72 | W | 77.5 | Confident | 72.6 | Confident | 13 Ų | 13 | 64.6 Ų | 64.6 | 5% | 0.049 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 174.9 | 179.7 | 67.8 | 98 | 0 | 0 | 0 | 111 | C58 D60 R66 E74 C80 C82 | C58-W72 HydrophobicContact CB-CH2 3.99Å; D60-W72 HydrophobicContact CB-CZ2 4.11Å; D60-W72 VanDerWaalsContact CB-NE1 3.29Å; R66-W72 HydrophobicContact CB-CE3 3.99Å; R66-W72 HydrophobicContact CB-CH2 4.09Å; R66-W72 HydrophobicContact CB-CZ3 3.69Å; R66-W72 HydrophobicContact CG-CD2 3.92Å; R66-W72 HydrophobicContact CG-CE3 3.72Å; R66-W72 HydrophobicContact CG-CH2 4.13Å; R66-W72 HydrophobicContact CG-CZ2 4.3Å; R66-W72 HydrophobicContact CG-CZ3 3.85Å; W72-E74 PolarHBondContact NE1-OE2 3.45Å; W72-C80 HydrophobicContact CD2-CB 3.73Å; W72-C80 HydrophobicContact CE3-CB 4.29Å; W72-C80 HydrophobicContact CG-CB 4.2Å; W72-C80 HydrophobicContact CH2-CB 4.09Å; W72-C80 HydrophobicContact CZ2-CB 3.49Å; W72-C80 VanDerWaalsContact CZ2-CB 3.49Å; W72-C80 HydrophobicContact CZ3-CB 4.43Å; W72-C80 PolarHBondContact N-O 2.88Å; W72-C80 PolarHBondContact O-N 2.93Å; W72-C82 HydrophobicContact CH2-CB 4.08Å; W72-C82 HydrophobicContact CZ3-CB 3.75Å |
| 73 | M | 77.5 | Confident | 72.3 | Confident | 68 Ų | 68 | 62.7 Ų | 62.7 | 34% | 0.335 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.9 | 180 | -173.7 | -173.1 | -59.9 | 0 | 0 | 108.1 | N75 C78 W79 K333 | M73-N75 WeakPolarHBondContact CG-O 3.03Å; M73-C78 CarbonylContact C-O 3.51Å; M73-C78 WeakPolarHBondContact CA-O 3.33Å; M73-W79 VanDerWaalsContact CE-CE2 3.47Å; M73-W79 HydrophobicContact CE-CZ2 3.36Å; M73-K333 HydrophobicContact CE-CD 4.33Å; M73-K333 VanDerWaalsContact CE-CE 3.46Å; M73-K333 HydrophobicContact CE-CG 3.94Å |
| 74 | E | 75.2 | Confident | 71.6 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 33% | 0.327 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -24.4 | -175.2 | -158.4 | 139.4 | 136.3 | 0 | 0 | 111.8 | S61 W72 C78 C80 | S61-E74 WeakPolarHBondContact CB-OE1 3.29Å; S61-E74 PolarHBondContact N-OE1 3.4Å; S61-E74 WeakPolarHBondContact OG-CG 3.22Å; W72-E74 PolarHBondContact NE1-OE2 3.45Å; E74-C78 PolarHBondContact N-O 3.46Å; E74-C80 PolarHBondContact OE2-SG 2.94Å; E74-C80 VanDerWaalsContact OE2-SG 3.4Å |
| 75 | N | 68.9 | Low | 70.3 | Confident | 103 Ų | 103 | 61.1 Ų | 61.1 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 161 | 172.5 | -148.9 | 10 | 0 | 0 | 0 | 107 | M73 T77 C78 | M73-N75 WeakPolarHBondContact CG-O 3.03Å; N75-T77 PolarHBondContact O-N 3.33Å; N75-C78 HydrophobicContact CB-CB 3.76Å; N75-C78 PolarHBondContact O-N 3.33Å |
| 76 | P | 68.3 | Low | 69.1 | Low | 107 Ų | 107 | 61 Ų | 61 | 70% | 0.695 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -21.2 | -174 | -30 | 37.1 | 0 | 0 | 0 | 116.5 | ||
| 77 | T | 66.5 | Low | 68.1 | Low | 85 Ų | 85 | 67.8 Ų | 67.8 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -11.8 | 174.7 | 65.7 | 0 | 0 | 0 | 0 | 114.2 | N75 G95 | N75-T77 PolarHBondContact O-N 3.33Å; T77-G95 CarbonylContact C-O 3.56Å; T77-G95 WeakPolarHBondContact CB-O 3.3Å; T77-G95 CarbonylContact O-C 3.32Å; T77-G95 VanDerWaalsContact O-C 3.32Å; T77-G95 VanDerWaalsContact O-CA 3.29Å; T77-G95 WeakPolarHBondContact O-CA 3.42Å; T77-G95 VanDerWaalsContact O-O 3.07Å; T77-G95 PolarHBondContact OG1-O 3.2Å |
| 78 | C | 71.6 | Confident | 66.9 | Low | 11 Ų | 11 | 71.9 Ų | 71.9 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 114.3 | -166.6 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | M73 E74 N75 D94 C96 | M73-C78 CarbonylContact C-O 3.51Å; M73-C78 WeakPolarHBondContact CA-O 3.33Å; E74-C78 PolarHBondContact N-O 3.46Å; N75-C78 HydrophobicContact CB-CB 3.76Å; N75-C78 PolarHBondContact O-N 3.33Å; C78-D94 CarbonylContact C-O 3.59Å; C78-D94 WeakPolarHBondContact CA-O 3.1Å; C78-C96 HydrophobicContact CB-CB 3.79Å; C78-C96 WeakPolarHBondContact CB-SG 3.15Å; C78-C96 WeakPolarHBondContact SG-CB 3.17Å; C78-C96 CovalentContact SG-SG 2.04Å; C78-C96 PolarHBondContact SG-SG 3.39Å |
| 79 | W | 74.9 | Confident | 66.6 | Low | 42 Ų | 42 | 70.4 Ų | 70.4 | 16% | 0.159 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 117.9 | -175.2 | -91.4 | 69.7 | 0 | 0 | 0 | 111.5 | M73 C93 D94 T331 F332 K333 | M73-W79 VanDerWaalsContact CE-CE2 3.47Å; M73-W79 HydrophobicContact CE-CZ2 3.36Å; W79-C93 CarbonylContact O-C 3.56Å; W79-C93 VanDerWaalsContact O-CA 3.22Å; W79-C93 WeakPolarHBondContact O-CA 3.32Å; W79-D94 PolarHBondContact N-O 3.24Å; W79-D94 PolarHBondContact O-N 2.75Å; W79-T331 VanDerWaalsContact CD1-CG2 3.48Å; W79-T331 HydrophobicContact CD2-CG2 3.69Å; W79-T331 HydrophobicContact CE3-CG2 4.48Å; W79-T331 HydrophobicContact CG-CG2 3.67Å; W79-T331 HydrophobicContact CZ2-CG2 4.25Å; W79-F332 VanDerWaalsContact CH2-C 3.45Å; W79-F332 WeakPolarHBondContact CH2-O 3.35Å; W79-K333 HydrophobicContact CZ2-CG 4.22Å |
| 80 | C | 79 | Confident | 66.8 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 145.4 | -175.2 | -65 | 0 | 0 | 0 | 0 | 112.2 | T71 W72 E74 V92 C93 | T71-C80 CarbonylContact C-O 3.6Å; T71-C80 VanDerWaalsContact CA-O 3.22Å; T71-C80 WeakPolarHBondContact CA-O 3.03Å; W72-C80 HydrophobicContact CD2-CB 3.73Å; W72-C80 HydrophobicContact CE3-CB 4.29Å; W72-C80 HydrophobicContact CG-CB 4.2Å; W72-C80 HydrophobicContact CH2-CB 4.09Å; W72-C80 HydrophobicContact CZ2-CB 3.49Å; W72-C80 VanDerWaalsContact CZ2-CB 3.49Å; W72-C80 HydrophobicContact CZ3-CB 4.43Å; W72-C80 PolarHBondContact N-O 2.88Å; W72-C80 PolarHBondContact O-N 2.93Å; E74-C80 PolarHBondContact OE2-SG 2.94Å; E74-C80 VanDerWaalsContact OE2-SG 3.4Å; C80-V92 CarbonylContact C-O 3.59Å; C80-V92 WeakPolarHBondContact CA-O 3.46Å; C80-C93 HydrophobicContact CB-CB 4.06Å; C80-C93 WeakPolarHBondContact CB-SG 3.35Å; C80-C93 WeakPolarHBondContact SG-CB 3.11Å; C80-C93 CovalentContact SG-SG 2.03Å; C80-C93 PolarHBondContact SG-SG 3.19Å |
| 81 | T | 77.4 | Confident | 66.8 | Low | 41 Ų | 41 | 66.4 Ų | 66.4 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 134.3 | 175.5 | 72.7 | 0 | 0 | 0 | 0 | 110 | S70 T71 Q83 S91 V92 | S70-T81 WeakPolarHBondContact O-CA 3.45Å; T71-T81 HydrophobicContact CG2-CG2 3.53Å; T81-Q83 PolarHBondContact OG1-NE2 2.82Å; T81-S91 CarbonylContact O-C 3.54Å; T81-S91 WeakPolarHBondContact O-CA 3.02Å; T81-V92 PolarHBondContact N-O 3.26Å; T81-V92 PolarHBondContact O-N 2.71Å |
| 82 | C | 73.7 | Confident | 66.7 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 112.9 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | C58 G67 F69 S70 W72 | C58-C82 HydrophobicContact CB-CB 3.7Å; C58-C82 WeakPolarHBondContact CB-SG 2.86Å; C58-C82 PolarHBondContact N-SG 2.88Å; C58-C82 WeakPolarHBondContact SG-CA 3.12Å; C58-C82 WeakPolarHBondContact SG-CB 3Å; C58-C82 CovalentContact SG-SG 2.04Å; C58-C82 PolarHBondContact SG-SG 2.88Å; G67-C82 WeakPolarHBondContact O-CB 3.38Å; F69-C82 WeakPolarHBondContact CA-O 3.05Å; F69-C82 PolarHBondContact N-O 3.12Å; S70-C82 PolarHBondContact O-N 2.85Å; W72-C82 HydrophobicContact CH2-CB 4.08Å; W72-C82 HydrophobicContact CZ3-CB 3.75Å |
| 83 | Q | 64.6 | Low | 66.6 | Low | 89 Ų | 89 | 67 Ų | 67 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.3 | -176.5 | -61.1 | -174.5 | 2.8 | 0 | 0 | 111.7 | T81 V85 A89 V90 V92 | T81-Q83 PolarHBondContact OG1-NE2 2.82Å; Q83-V85 PolarHBondContact O-N 2.94Å; Q83-A89 CarbonylContact O-C 3.58Å; Q83-A89 WeakPolarHBondContact O-CA 3.27Å; Q83-V90 PolarHBondContact N-O 3.45Å; Q83-V90 PolarHBondContact O-N 3.1Å; Q83-V92 HydrophobicContact CG-CG2 4.38Å |
| 84 | P | 58.2 | Low | 66.3 | Low | 54 Ų | 54 | 69.6 Ų | 69.6 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.4 | 172.4 | 26.3 | -23.9 | 0 | 0 | 0 | 109.9 | L68 F69 | L68-P84 HydrophobicContact CD1-CB 4.05Å; L68-P84 HydrophobicContact CD1-CG 4.49Å; L68-P84 HydrophobicContact CD2-CB 3.54Å; L68-P84 HydrophobicContact CD2-CG 3.95Å; L68-P84 HydrophobicContact CG-CB 4.42Å; F69-P84 HydrophobicContact CE1-CG 3.6Å; F69-P84 HydrophobicContact CE2-CG 4.11Å; F69-P84 HydrophobicContact CZ-CG 3.37Å |
| 85 | V | 46.9 | Very low | 65.9 | Low | 56 Ų | 56 | 68.6 Ų | 68.6 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 96.7 | 173 | -174.8 | 0 | 0 | 0 | 0 | 108 | Q83 R87 M88 V90 | Q83-V85 PolarHBondContact O-N 2.94Å; V85-R87 PolarHBondContact O-N 2.99Å; V85-M88 CarbonylContact C-O 3.51Å; V85-M88 HydrophobicContact CB-CE 3.85Å; V85-M88 HydrophobicContact CB-CG 4.18Å; V85-M88 HydrophobicContact CG1-CE 3.63Å; V85-M88 PolarHBondContact N-O 2.04Å; V85-M88 WeakPolarHBondContact O-CG 3.42Å; V85-M88 PolarHBondContact O-N 3.34Å; V85-M88 VanDerWaalsContact O-N 3.08Å; V85-V90 HydrophobicContact CB-CG2 4.09Å; V85-V90 HydrophobicContact CG2-CB 4.14Å; V85-V90 HydrophobicContact CG2-CG2 3.78Å |
| 86 | S | 49.4 | Very low | 65.7 | Low | 124 Ų | 124 | 66 Ų | 66 | 87% | 0.867 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -98.7 | -176.9 | -172.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 87 | R | 48 | Very low | 64.9 | Low | 214 Ų | 214 | 69 Ų | 69 | 81% | 0.808 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -0.8 | 178.4 | -69.4 | -170.9 | 177 | -164.9 | -0.8 | 113.9 | V85 | V85-R87 PolarHBondContact O-N 2.99Š|
| 88 | M | 46.4 | Very low | 63.9 | Low | 108 Ų | 108 | 71.9 Ų | 71.9 | 53% | 0.532 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 160.2 | 177.7 | 59.4 | 179.7 | -176.5 | 0 | 0 | 110.4 | V85 V90 | V85-M88 CarbonylContact C-O 3.51Å; V85-M88 HydrophobicContact CB-CE 3.85Å; V85-M88 HydrophobicContact CB-CG 4.18Å; V85-M88 HydrophobicContact CG1-CE 3.63Å; V85-M88 PolarHBondContact N-O 2.04Å; V85-M88 WeakPolarHBondContact O-CG 3.42Å; V85-M88 PolarHBondContact O-N 3.34Å; V85-M88 VanDerWaalsContact O-N 3.08Å; M88-V90 HydrophobicContact CE-CG2 3.91Å; M88-V90 HydrophobicContact CG-CG2 4.17Å; M88-V90 HydrophobicContact SD-CG2 4.11Å |
| 89 | A | 63.5 | Low | 62.3 | Low | 26 Ų | 26 | 78.7 Ų | 78.7 | 22% | 0.215 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 140.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | I56 G57 C58 L68 Q83 | I56-A89 HydrophobicContact CG2-CB 3.95Å; G57-A89 VanDerWaalsContact C-CB 3.43Å; G57-A89 WeakPolarHBondContact O-CB 3.14Å; C58-A89 VanDerWaalsContact SG-CB 3.57Å; L68-A89 HydrophobicContact CD2-CB 3.76Å; Q83-A89 CarbonylContact O-C 3.58Å; Q83-A89 WeakPolarHBondContact O-CA 3.27Å |
| 90 | V | 68 | Low | 60.4 | Low | 51 Ų | 51 | 85.3 Ų | 85.3 | 31% | 0.309 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.6 | -177.7 | -179 | 0 | 0 | 0 | 0 | 108.8 | Q83 V85 M88 V92 | Q83-V90 PolarHBondContact N-O 3.45Å; Q83-V90 PolarHBondContact O-N 3.1Å; V85-V90 HydrophobicContact CB-CG2 4.09Å; V85-V90 HydrophobicContact CG2-CB 4.14Å; V85-V90 HydrophobicContact CG2-CG2 3.78Å; M88-V90 HydrophobicContact CE-CG2 3.91Å; M88-V90 HydrophobicContact CG-CG2 4.17Å; M88-V90 HydrophobicContact SD-CG2 4.11Å; V90-V92 HydrophobicContact CG1-CG2 4.36Å |
| 91 | S | 72 | Confident | 58.1 | Low | 53 Ų | 53 | 90.1 Ų | 90.1 | 37% | 0.371 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 121.5 | 167.4 | 41.7 | 0 | 0 | 0 | 0 | 109.7 | T81 | T81-S91 CarbonylContact O-C 3.54Å; T81-S91 WeakPolarHBondContact O-CA 3.02Å |
| 92 | V | 73.7 | Confident | 55.9 | Low | 57 Ų | 57 | 94.4 Ų | 94.4 | 35% | 0.345 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.2 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | C80 T81 Q83 V90 | C80-V92 CarbonylContact C-O 3.59Å; C80-V92 WeakPolarHBondContact CA-O 3.46Å; T81-V92 PolarHBondContact N-O 3.26Å; T81-V92 PolarHBondContact O-N 2.71Å; Q83-V92 HydrophobicContact CG-CG2 4.38Å; V90-V92 HydrophobicContact CG1-CG2 4.36Å |
| 93 | C | 75.8 | Confident | 53.7 | Low | 48 Ų | 48 | 101 Ų | 101 | 32% | 0.324 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.4 | -171.6 | -52.3 | 0 | 0 | 0 | 0 | 113.2 | W79 C80 C96 | W79-C93 CarbonylContact O-C 3.56Å; W79-C93 VanDerWaalsContact O-CA 3.22Å; W79-C93 WeakPolarHBondContact O-CA 3.32Å; C80-C93 HydrophobicContact CB-CB 4.06Å; C80-C93 WeakPolarHBondContact CB-SG 3.35Å; C80-C93 WeakPolarHBondContact SG-CB 3.11Å; C80-C93 CovalentContact SG-SG 2.03Å; C80-C93 PolarHBondContact SG-SG 3.19Å; C93-C96 WeakPolarHBondContact CB-SG 3.42Å |
| 94 | D | 71.3 | Confident | 51.9 | Low | 122 Ų | 122 | 102.7 Ų | 102.7 | 65% | 0.652 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 147.9 | 178.3 | -77 | -36 | 0 | 0 | 0 | 111.9 | C78 W79 C96 | C78-D94 CarbonylContact C-O 3.59Å; C78-D94 WeakPolarHBondContact CA-O 3.1Å; W79-D94 PolarHBondContact N-O 3.24Å; W79-D94 PolarHBondContact O-N 2.75Å; D94-C96 VanDerWaalsContact C-N 3.33Å; D94-C96 PolarHBondContact O-N 3.01Å |
| 95 | G | 65.7 | Low | 50.5 | Low | 49 Ų | 49 | 106.7 Ų | 106.7 | 51% | 0.505 | 58% | 0.584 | S | S | . | * | S | Bend | trans | 78.5 | 11.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | T77 E97 | T77-G95 CarbonylContact C-O 3.56Å; T77-G95 WeakPolarHBondContact CB-O 3.3Å; T77-G95 CarbonylContact O-C 3.32Å; T77-G95 VanDerWaalsContact O-C 3.32Å; T77-G95 VanDerWaalsContact O-CA 3.29Å; T77-G95 WeakPolarHBondContact O-CA 3.42Å; T77-G95 VanDerWaalsContact O-O 3.07Å; T77-G95 PolarHBondContact OG1-O 3.2Å; G95-E97 PolarHBondContact O-N 3.38Å |
| 96 | C | 64.4 | Low | 49.5 | Very low | 50 Ų | 50 | 110.9 Ų | 110.9 | 34% | 0.338 | 61% | 0.605 | S | S | . | * | trans | -82.1 | 94.5 | 179.7 | -43.3 | 0 | 0 | 0 | 0 | 110.3 | C78 C93 D94 I98 | C78-C96 HydrophobicContact CB-CB 3.79Å; C78-C96 WeakPolarHBondContact CB-SG 3.15Å; C78-C96 WeakPolarHBondContact SG-CB 3.17Å; C78-C96 CovalentContact SG-SG 2.04Å; C78-C96 PolarHBondContact SG-SG 3.39Å; C93-C96 WeakPolarHBondContact CB-SG 3.42Å; D94-C96 VanDerWaalsContact C-N 3.33Å; D94-C96 PolarHBondContact O-N 3.01Å; C96-I98 PolarHBondContact O-N 3.45Å | ||
| 97 | E | 51 | Low | 48.3 | Very low | 169 Ų | 169 | 111.3 Ų | 111.3 | 79% | 0.79 | 60% | 0.597 | S | S | * | * | trans | -64.3 | 102.9 | 170.3 | -73.4 | -167.3 | 167.2 | 0 | 0 | 109.5 | G95 N99 | G95-E97 PolarHBondContact O-N 3.38Å; E97-N99 PolarHBondContact O-N 3.14Å | ||
| 98 | I | 45.7 | Very low | 47.1 | Very low | 146 Ų | 146 | 108.3 Ų | 108.3 | 75% | 0.749 | 60% | 0.597 | S | S | * | * | trans | -64.2 | 103.9 | 165.9 | -55.7 | 171.3 | 0 | 0 | 0 | 105.8 | C96 K100 | C96-I98 PolarHBondContact O-N 3.45Å; I98-K100 HydrophobicContact CG2-CG 4.48Å; I98-K100 PolarHBondContact O-N 3.19Å | ||
| 99 | N | 38.5 | Very low | 46 | Very low | 154 Ų | 154 | 109.8 Ų | 109.8 | 82% | 0.824 | 61% | 0.605 | S | S | * | * | trans | -58.5 | 87.9 | 160.6 | -96.9 | -25.9 | 0 | 0 | 0 | 107.3 | E97 S101 | E97-N99 PolarHBondContact O-N 3.14Å; N99-S101 PolarHBondContact O-N 2.97Å | ||
| 100 | K | 34.2 | Very low | 44.2 | Very low | 180 Ų | 180 | 115.5 Ų | 115.5 | 78% | 0.783 | 63% | 0.632 | S | S | * | * | trans | -60.4 | 96.9 | 163.4 | -81.8 | 179.4 | 176 | 172.8 | 0 | 105.1 | I98 I102 | I98-K100 HydrophobicContact CG2-CG 4.48Å; I98-K100 PolarHBondContact O-N 3.19Å; K100-I102 VanDerWaalsContact C-N 3.33Å; K100-I102 PolarHBondContact O-N 3.5Å | ||
| 101 | S | 32.1 | Very low | 42 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | trans | -51.5 | 107.6 | 162.1 | 40.8 | 0 | 0 | 0 | 0 | 106.2 | N99 N103 | N99-S101 PolarHBondContact O-N 2.97Å; S101-N103 PolarHBondContact O-N 2.96Å | ||
| 102 | I | 30.8 | Very low | 39.8 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 68% | 0.677 | 68% | 0.675 | S | S | * | * | trans | -67.1 | 96 | 176.5 | -67.4 | 170.7 | 0 | 0 | 0 | 104.8 | K100 N104 | K100-I102 VanDerWaalsContact C-N 3.33Å; K100-I102 PolarHBondContact O-N 3.5Å; I102-N104 HydrophobicContact CG2-CB 4.08Å; I102-N104 VanDerWaalsContact CG2-OD1 3.28Å; I102-N104 WeakPolarHBondContact CG2-OD1 3.03Å; I102-N104 PolarHBondContact O-N 2.81Å | ||
| 103 | N | 27.4 | Very low | 37.2 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | -67.2 | 68.5 | 164.1 | -90.9 | -6.8 | 0 | 0 | 0 | 108.1 | S101 N105 | S101-N103 PolarHBondContact O-N 2.96Å; N103-N105 VanDerWaalsContact C-N 3.27Å; N103-N105 PolarHBondContact O-N 3.27Å | ||
| 104 | N | 27.6 | Very low | 34.8 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | trans | -67.9 | 96.9 | 160.6 | -88.7 | -9.2 | 0 | 0 | 0 | 106.3 | I102 N106 | I102-N104 HydrophobicContact CG2-CB 4.08Å; I102-N104 VanDerWaalsContact CG2-OD1 3.28Å; I102-N104 WeakPolarHBondContact CG2-OD1 3.03Å; I102-N104 PolarHBondContact O-N 2.81Å; N104-N106 PolarHBondContact O-N 2.84Å | ||
| 105 | N | 27.6 | Very low | 32.6 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -60.6 | 76.4 | 165.8 | -70.8 | -31.1 | 0 | 0 | 0 | 109.8 | N103 L107 | N103-N105 VanDerWaalsContact C-N 3.27Å; N103-N105 PolarHBondContact O-N 3.27Å; N105-L107 PolarHBondContact O-N 2.83Å | ||
| 106 | N | 25.9 | Very low | 30.6 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | -88.1 | 98.6 | 162.4 | -83.6 | -6.1 | 0 | 0 | 0 | 107.9 | N104 N108 | N104-N106 PolarHBondContact O-N 2.84Å; N106-N108 PolarHBondContact O-N 2.96Å | ||
| 107 | L | 24.5 | Very low | 28.7 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -58.3 | 107.7 | 169.8 | -67.7 | 88 | 0 | 0 | 0 | 109.4 | N105 I109 | N105-L107 PolarHBondContact O-N 2.83Å; L107-I109 HydrophobicContact CB-CG1 4.36Å; L107-I109 HydrophobicContact CD2-CD1 3.69Å; L107-I109 HydrophobicContact CD2-CG1 4.19Å; L107-I109 PolarHBondContact O-N 3.38Å | ||
| 108 | N | 23.7 | Very low | 27.4 | Very low | 151 Ų | 151 | 146.6 Ų | 146.6 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | -94 | 78.8 | 152.7 | -92.8 | -8.2 | 0 | 0 | 0 | 108.4 | N106 N110 | N106-N108 PolarHBondContact O-N 2.96Å; N108-N110 PolarHBondContact O-N 3.39Å | ||
| 109 | I | 23.6 | Very low | 26.2 | Very low | 139 Ų | 139 | 147 Ų | 147 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -69.7 | 86.1 | 159.2 | -64 | 166.8 | 0 | 0 | 0 | 106 | L107 S111 | L107-I109 HydrophobicContact CB-CG1 4.36Å; L107-I109 HydrophobicContact CD2-CD1 3.69Å; L107-I109 HydrophobicContact CD2-CG1 4.19Å; L107-I109 PolarHBondContact O-N 3.38Å; I109-S111 PolarHBondContact O-N 3.36Å | ||
| 110 | N | 24.8 | Very low | 25.6 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | -73.9 | 104.9 | 164.1 | -100 | -1.9 | 0 | 0 | 0 | 107.8 | N108 N112 | N108-N110 PolarHBondContact O-N 3.39Å; N110-N112 PolarHBondContact O-N 3.47Å | ||
| 111 | S | 22.6 | Very low | 24.9 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | -53.4 | 127.1 | 166.2 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | I109 | I109-S111 PolarHBondContact O-N 3.36Š| ||
| 112 | N | 24.9 | Very low | 24.5 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -138.2 | 146.5 | 154.4 | -113.1 | -21.9 | 0 | 0 | 0 | 110.8 | N110 | N110-N112 PolarHBondContact O-N 3.47Š| ||
| 113 | Y | 20.2 | Very low | 24.2 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -77.3 | 173 | -161.9 | -105.5 | -123.5 | 0 | 0 | 0 | 114.1 | ||||
| 114 | E | 24.3 | Very low | 24.2 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 66.1 | 94.5 | 150.2 | -74.6 | 158.4 | -159.7 | 0 | 0 | 119.1 | ||||
| 115 | N | 26 | Very low | 24 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | -159.9 | 100.5 | 102.1 | -107.2 | -71 | 0 | 0 | 0 | 112.4 | K117 | N115-K117 PolarHBondContact O-N 3.2Š| |||
| 116 | N | 22.1 | Very low | 23.7 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -75.9 | 97.8 | 169.2 | -84.8 | -38 | 0 | 0 | 0 | 110.3 | ||||
| 117 | K | 25.3 | Very low | 23.7 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -116.3 | 81.2 | 155.6 | -82.1 | -172.2 | 175.6 | 178.3 | 0 | 110 | N115 | N115-K117 PolarHBondContact O-N 3.2Š| ||
| 118 | N | 23.1 | Very low | 23.7 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | trans | -79.6 | 146.9 | 168.4 | -90.2 | -29.7 | 0 | 0 | 0 | 110.8 | ||||
| 119 | L | 21.7 | Very low | 23.9 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | trans | 59.4 | 129.4 | 168.8 | -77.4 | 71.3 | 0 | 0 | 0 | 114.5 | ||||
| 120 | L | 25.1 | Very low | 24 | Very low | 150 Ų | 150 | 146 Ų | 146 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | cis | -148.3 | 141.2 | 45.1 | -97.6 | 97.2 | 0 | 0 | 0 | 111.5 | ||||
| 121 | N | 20.1 | Very low | 23.9 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -69.6 | 140.1 | 148.4 | -65.5 | -34.2 | 0 | 0 | 0 | 108.4 | ||||
| 122 | N | 23.5 | Very low | 24 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | trans | -178.3 | 143 | 134.7 | -95.9 | 1.2 | 0 | 0 | 0 | 113.1 | ||||
| 123 | E | 23.4 | Very low | 23.9 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | 62.3 | 96.3 | 143.1 | -64.8 | 168.9 | 171.2 | 0 | 0 | 121 | ||||
| 124 | S | 28.5 | Very low | 24.1 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | 179.4 | 76.5 | 129.7 | 28.2 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 125 | I | 22.3 | Very low | 24 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | 58.3 | 114.6 | 83.6 | -60.6 | 177.9 | 0 | 0 | 0 | 113 | |||||
| 126 | I | 22.2 | Very low | 23.8 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | trans | -74.9 | 136.6 | 177.8 | -65.7 | 153.1 | 0 | 0 | 0 | 111.1 | I128 | I126-I128 HydrophobicContact CG2-CB 4.42Å; I126-I128 HydrophobicContact CG2-CD1 3.74Å; I126-I128 HydrophobicContact CG2-CG1 3.64Å | ||
| 127 | E | 26.1 | Very low | 23.9 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | trans | -129.3 | 108.9 | 149.4 | -68.6 | -170.7 | 148.7 | 0 | 0 | 105.4 | ||||
| 128 | I | 24.8 | Very low | 23.8 | Very low | 123 Ų | 123 | 136 Ų | 136 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | 39.8 | 101.8 | 57.5 | -62.6 | 164.2 | 0 | 0 | 0 | 111.8 | I126 | I126-I128 HydrophobicContact CG2-CB 4.42Å; I126-I128 HydrophobicContact CG2-CD1 3.74Å; I126-I128 HydrophobicContact CG2-CG1 3.64Å | |||
| 129 | F | 28 | Very low | 23.7 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 61% | 0.614 | 70% | 0.701 | S | S | * | * | trans | -162.5 | 106.4 | 139.1 | -96.7 | -67.5 | 0 | 0 | 0 | 110.7 | K624 | F129-K624 PolarHBondContact O-NZ 2.87Š| ||
| 130 | N | 24.3 | Very low | 23.7 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 57% | 0.567 | 70% | 0.697 | S | S | * | * | 60.4 | 151.4 | 119 | -71.8 | 10.9 | 0 | 0 | 0 | 119.9 | K624 | N130-K624 WeakPolarHBondContact O-CE 3.22Å; N130-K624 PolarHBondContact O-NZ 3.33Å; N130-K624 VanDerWaalsContact O-NZ 3.17Å | |||
| 131 | S | 24.6 | Very low | 23.7 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 47% | 0.469 | 70% | 0.698 | S | S | . | * | cis | -174.2 | 153.1 | 1.2 | -110.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 132 | F | 24.7 | Very low | 23.9 | Very low | 179 Ų | 179 | 136 Ų | 136 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | 65.5 | 161.1 | 136.2 | -68.1 | -147.1 | 0 | 0 | 0 | 116.4 | ||||
| 133 | D | 22.9 | Very low | 23.9 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | cis | -155.6 | 139.5 | -13.1 | -120.3 | 0.4 | 0 | 0 | 0 | 111.2 | ||||
| 134 | T | 23.3 | Very low | 23.8 | Very low | 101 Ų | 101 | 135 Ų | 135 | 62% | 0.62 | 70% | 0.695 | S | S | * | * | trans | 55.7 | 150.6 | 130.1 | 75.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 135 | I | 22.3 | Very low | 23.5 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 65% | 0.651 | 69% | 0.689 | S | S | * | * | trans | 84.6 | 107.3 | 131.2 | -81.7 | 159.8 | 0 | 0 | 0 | 120.2 | ||||
| 136 | K | 21.9 | Very low | 23.5 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | trans | 41.8 | 120.1 | 130.4 | -44.9 | 170.5 | -174.7 | 173.6 | 0 | 118.9 | ||||
| 137 | K | 24.4 | Very low | 23.4 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 84% | 0.835 | 70% | 0.697 | S | S | * | * | -172.8 | 116.9 | 111.5 | -93.6 | 148 | -176.9 | 179.6 | 0 | 107.4 | |||||
| 138 | T | 22.7 | Very low | 23.3 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | 56.7 | 134 | 69.4 | 66.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 139 | N | 21.5 | Very low | 23.3 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | 84.8 | 105 | 169.1 | -57.6 | -2.4 | 0 | 0 | 0 | 114.2 | ||||
| 140 | N | 22.3 | Very low | 23.2 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | 81.8 | 106.2 | 76.3 | -66.7 | -2.5 | 0 | 0 | 0 | 110.7 | |||||
| 141 | N | 24.9 | Very low | 23.1 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | 168.2 | 101.9 | 127 | -78 | -12 | 0 | 0 | 0 | 105.5 | |||||
| 142 | E | 23.2 | Very low | 23.1 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | 68.3 | 143.2 | 71.7 | -141.1 | -167.9 | -141.9 | 0 | 0 | 113.3 | |||||
| 143 | I | 22.7 | Very low | 23.1 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | trans | 80.5 | 93.2 | 163.6 | -56.7 | 168.5 | 0 | 0 | 0 | 117.2 | ||||
| 144 | N | 22.1 | Very low | 23.4 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | 45.7 | 121.2 | 124 | -53.7 | -42.5 | 0 | 0 | 0 | 119.5 | |||||
| 145 | Q | 22.6 | Very low | 23.6 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 71% | 0.71 | 72% | 0.719 | S | S | * | * | -173.2 | 134.8 | 102.1 | -100.8 | 170.5 | 84.3 | 0 | 0 | 116 | |||||
| 146 | K | 22.2 | Very low | 23.7 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 50.3 | 107.9 | 135.5 | -64.6 | 167.6 | -172.6 | 161.3 | 0 | 120.1 | ||||
| 147 | R | 20.5 | Very low | 24.3 | Very low | 236 Ų | 236 | 146.8 Ų | 146.8 | 89% | 0.891 | 72% | 0.72 | S | S | * | * | 59.7 | 78.1 | 107.1 | -160.2 | -171.3 | -137.7 | 172.9 | 5.5 | 116.2 | |||||
| 148 | S | 24.5 | Very low | 24.6 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | trans | -96.7 | 136.6 | 140.4 | -161.9 | 0 | 0 | 0 | 0 | 109.4 | D150 | S148-D150 WeakPolarHBondContact CB-OD2 3.12Å; S148-D150 PolarHBondContact OG-OD2 2.88Å | ||
| 149 | V | 24.1 | Very low | 25.5 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | trans | -105.1 | 86.7 | 171.3 | 175.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 150 | D | 25.9 | Very low | 26.4 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | trans | -101.2 | 94.3 | 175.3 | -77.2 | -62 | 0 | 0 | 0 | 110.4 | S148 | S148-D150 WeakPolarHBondContact CB-OD2 3.12Å; S148-D150 PolarHBondContact OG-OD2 2.88Å | ||
| 151 | N | 22.8 | Very low | 27.6 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | trans | 30.8 | 103.8 | 145.8 | -62.2 | -50.2 | 0 | 0 | 0 | 117.8 | Y153 | N151-Y153 PolarHBondContact O-N 3.46Š| ||
| 152 | H | 24.2 | Very low | 28.8 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 78% | 0.778 | 68% | 0.681 | S | S | * | * | trans | -52.7 | 91.5 | 159.7 | -166 | 58.8 | 0 | 0 | 0 | 111.1 | D154 | H152-D154 IonicContact NE2-OD1 3.9Å; H152-D154 PolarHBondContact O-N 3Å | ||
| 153 | Y | 25.1 | Very low | 30.9 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 80% | 0.796 | 67% | 0.666 | S | S | * | * | trans | -76.6 | 70.8 | 163.5 | -98.5 | -88.2 | 0 | 0 | 0 | 109.4 | N151 H155 | N151-Y153 PolarHBondContact O-N 3.46Å; Y153-H155 VanDerWaalsContact C-N 3.32Å; Y153-H155 PolarHBondContact O-N 3.44Å | ||
| 154 | D | 27.3 | Very low | 33.4 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 52% | 0.524 | 65% | 0.649 | S | S | . | * | trans | -64.7 | 97 | 164.7 | -148.3 | 27.6 | 0 | 0 | 0 | 106.5 | H152 K156 | H152-D154 IonicContact NE2-OD1 3.9Å; H152-D154 PolarHBondContact O-N 3Å; D154-K156 PolarHBondContact O-N 2.67Å | ||
| 155 | H | 27.7 | Very low | 36.4 | Very low | 151 Ų | 151 | 124.3 Ų | 124.3 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | trans | -72.4 | 69 | -179.7 | -124.2 | -79.9 | 0 | 0 | 0 | 109.2 | Y153 I157 | Y153-H155 VanDerWaalsContact C-N 3.32Å; Y153-H155 PolarHBondContact O-N 3.44Å; H155-I157 WeakPolarHBondContact ND1-CG1 3.36Å; H155-I157 PolarHBondContact O-N 3.25Å | ||
| 156 | K | 25.9 | Very low | 39.4 | Very low | 180 Ų | 180 | 122 Ų | 122 | 78% | 0.783 | 60% | 0.6 | S | S | * | * | trans | -64 | 74.7 | 155.4 | -81.5 | -178.1 | 177.6 | 170.7 | 0 | 107.9 | D154 S158 | D154-K156 PolarHBondContact O-N 2.67Å; K156-S158 PolarHBondContact O-N 2.72Å | ||
| 157 | I | 32.8 | Very low | 42.3 | Very low | 124 Ų | 124 | 114.7 Ų | 114.7 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | trans | -54.1 | 111.3 | 159.1 | -64.8 | 177.6 | 0 | 0 | 0 | 104.6 | H155 L159 | H155-I157 WeakPolarHBondContact ND1-CG1 3.36Å; H155-I157 PolarHBondContact O-N 3.25Å; I157-L159 VanDerWaalsContact C-N 3.31Å; I157-L159 PolarHBondContact O-N 3.49Å | ||
| 158 | S | 32.2 | Very low | 44.9 | Very low | 93 Ų | 93 | 106.7 Ų | 106.7 | 65% | 0.65 | 55% | 0.553 | S | S | * | * | trans | -53.1 | 99.3 | 172.4 | 174.5 | 0 | 0 | 0 | 0 | 107.4 | K156 K160 | K156-S158 PolarHBondContact O-N 2.72Å; S158-K160 PolarHBondContact O-N 2.95Å | ||
| 159 | L | 41.2 | Very low | 46.9 | Very low | 134 Ų | 134 | 105.4 Ų | 105.4 | 70% | 0.702 | 54% | 0.541 | S | S | * | . | trans | -74.8 | 77.3 | -177.3 | -154 | 77.6 | 0 | 0 | 0 | 107.6 | I157 N161 S162 | I157-L159 VanDerWaalsContact C-N 3.31Å; I157-L159 PolarHBondContact O-N 3.49Å; L159-N161 VanDerWaalsContact C-N 3.33Å; L159-N161 PolarHBondContact O-N 3.12Å; L159-S162 VanDerWaalsContact CD2-OG 3.28Å; L159-S162 WeakPolarHBondContact CD2-OG 3.1Å; L159-S162 WeakPolarHBondContact CG-OG 3.47Å | ||
| 160 | K | 40.7 | Very low | 49.1 | Very low | 182 Ų | 182 | 102.4 Ų | 102.4 | 79% | 0.791 | 52% | 0.523 | S | S | * | . | trans | -59.5 | 91.8 | 179 | -75.6 | 178.2 | 173.8 | 178.4 | 0 | 109.1 | S158 S162 | S158-K160 PolarHBondContact O-N 2.95Å; K160-S162 PolarHBondContact O-N 2.87Å | ||
| 161 | N | 46.8 | Very low | 51.2 | Low | 93 Ų | 93 | 101.8 Ų | 101.8 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | trans | 37.1 | 50.9 | 170.6 | -66 | 0.8 | 0 | 0 | 0 | 113.1 | L159 N163 | L159-N161 VanDerWaalsContact C-N 3.33Å; L159-N161 PolarHBondContact O-N 3.12Å; N161-N163 VanDerWaalsContact C-N 3.27Å; N161-N163 PolarHBondContact O-N 2.88Å | ||
| 162 | S | 49.8 | Very low | 53.6 | Low | 36 Ų | 36 | 98.4 Ų | 98.4 | 25% | 0.252 | 50% | 0.504 | S | S | . | . | trans | -64.2 | 101.8 | 167.3 | 60.3 | 0 | 0 | 0 | 0 | 105.8 | L159 K160 S164 G195 | L159-S162 VanDerWaalsContact CD2-OG 3.28Å; L159-S162 WeakPolarHBondContact CD2-OG 3.1Å; L159-S162 WeakPolarHBondContact CG-OG 3.47Å; K160-S162 PolarHBondContact O-N 2.87Å; S162-S164 PolarHBondContact O-N 3.1Å; S162-S164 VanDerWaalsContact O-N 3.1Å; S162-S164 PolarHBondContact OG-O 2.75Å; S162-G195 WeakPolarHBondContact O-CA 3.47Å | ||
| 163 | N | 67.5 | Low | 56.3 | Low | 87 Ų | 87 | 98.3 Ų | 98.3 | 47% | 0.465 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -56.3 | -22.1 | 170.6 | -92.3 | -0.8 | 0 | 0 | 0 | 110 | N161 H176 C192 | N161-N163 VanDerWaalsContact C-N 3.27Å; N161-N163 PolarHBondContact O-N 2.88Å; N163-H176 HydrophobicContact CB-CB 3.75Å; N163-H176 WeakPolarHBondContact O-CA 3.3Å; N163-H176 VanDerWaalsContact O-CB 3.29Å; N163-H176 WeakPolarHBondContact O-CB 3.47Å; N163-H176 PolarHBondContact O-N 3.23Å; N163-H176 VanDerWaalsContact O-N 3.12Å; N163-C192 PolarHBondContact O-SG 2.56Å |
| 164 | S | 76.5 | Confident | 58.9 | Low | 40 Ų | 40 | 90.9 Ų | 90.9 | 28% | 0.28 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -72.8 | 139.7 | 168.6 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | S162 Y174 | S162-S164 PolarHBondContact O-N 3.1Å; S162-S164 VanDerWaalsContact O-N 3.1Å; S162-S164 PolarHBondContact OG-O 2.75Å; S164-Y174 CarbonylContact C-O 3.48Å; S164-Y174 WeakPolarHBondContact CA-O 3.18Å; S164-Y174 WeakPolarHBondContact CB-O 3.2Å |
| 165 | C | 84.9 | Confident | 61.4 | Low | 0 Ų | 0 | 92.8 Ų | 92.8 | 0% | 0 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133.9 | 174.8 | -49.7 | 0 | 0 | 0 | 0 | 109.6 | Y173 Y174 C192 G195 N196 V197 | C165-Y173 WeakPolarHBondContact O-CA 3.4Å; C165-Y174 PolarHBondContact N-O 3.25Å; C165-Y174 PolarHBondContact O-N 2.88Å; C165-C192 HydrophobicContact CB-CB 3.72Å; C165-C192 WeakPolarHBondContact CB-SG 3.5Å; C165-C192 PolarHBondContact N-SG 2.83Å; C165-C192 VanDerWaalsContact SG-C 3.6Å; C165-C192 WeakPolarHBondContact SG-CA 3.28Å; C165-C192 WeakPolarHBondContact SG-CB 3.48Å; C165-C192 CovalentContact SG-SG 2.02Å; C165-C192 PolarHBondContact SG-SG 3.11Å; C165-G195 WeakPolarHBondContact CA-O 3.19Å; C165-G195 VanDerWaalsContact SG-CA 3.52Å; C165-N196 PolarHBondContact SG-N 2.03Å; C165-N196 PolarHBondContact SG-O 3.09Å; C165-V197 HydrophobicContact CB-CG2 3.82Å |
| 166 | Y | 85.5 | Confident | 63.8 | Low | 103 Ų | 103 | 88.3 Ų | 88.3 | 40% | 0.404 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125 | 172.4 | 173.3 | -112.4 | 0 | 0 | 0 | 110.2 | A168 N171 Y173 | Y166-A168 HydrophobicContact CD1-CB 4.42Å; Y166-A168 HydrophobicContact CE1-CB 3.77Å; Y166-N171 WeakPolarHBondContact CE2-OD1 3.25Å; Y166-N171 PolarHBondContact OH-OD1 3.49Å; Y166-Y173 HydrophobicContact CD2-CD1 4.31Å; Y166-Y173 HydrophobicContact CD2-CD2 4.06Å; Y166-Y173 AromaticContact CD2-CE1 3.95Å; Y166-Y173 HydrophobicContact CD2-CE1 3.95Å; Y166-Y173 AromaticContact CD2-CE2 3.65Å; Y166-Y173 HydrophobicContact CD2-CE2 3.65Å; Y166-Y173 HydrophobicContact CD2-CG 4.36Å; Y166-Y173 AromaticContact CD2-CZ 3.6Å; Y166-Y173 HydrophobicContact CE2-CE2 4.16Å; Y166-Y173 HydrophobicContact CG-CE1 4.15Å |
| 167 | Y | 83.3 | Confident | 66.1 | Low | 13 Ų | 13 | 87.6 Ų | 87.6 | 5% | 0.051 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 98.6 | 176 | -173.1 | -132.9 | 0 | 0 | 0 | 109.7 | V169 T170 N171 T172 Y174 W180 S182 A183 E184 V197 | Y167-V169 HydrophobicContact CD1-CB 4.45Å; Y167-V169 HydrophobicContact CD2-CG2 4.37Å; Y167-V169 HydrophobicContact CE1-CB 3.89Å; Y167-V169 HydrophobicContact CE1-CG2 4.41Å; Y167-V169 HydrophobicContact CE2-CB 4.08Å; Y167-V169 HydrophobicContact CE2-CG2 3.69Å; Y167-V169 PolarHBondContact O-N 3.34Å; Y167-V169 VanDerWaalsContact O-N 3.09Å; Y167-T170 HydrophobicContact CD1-CG2 4.27Å; Y167-T170 WeakPolarHBondContact CD1-OG1 3.28Å; Y167-T170 HydrophobicContact CE1-CG2 4.12Å; Y167-T170 PolarHBondContact O-N 3.04Å; Y167-N171 PolarHBondContact O-N 3.36Å; Y167-T172 PolarHBondContact N-O 2.02Å; Y167-T172 PolarHBondContact O-N 2.9Å; Y167-Y174 AromaticContact CD1-CE2 3.97Å; Y167-Y174 HydrophobicContact CD1-CE2 3.97Å; Y167-Y174 HydrophobicContact CG-CE2 4.21Å; Y167-W180 HydrophobicContact CD1-CZ2 4.37Å; Y167-W180 AromaticContact CD1-NE1 3.19Å; Y167-W180 HydrophobicContact CD2-CZ2 4.28Å; Y167-W180 AromaticContact CE1-NE1 3.38Å; Y167-W180 AromaticContact CG-CZ2 3.98Å; Y167-W180 HydrophobicContact CG-CZ2 3.98Å; Y167-W180 AromaticContact CG-NE1 3.67Å; Y167-W180 AromaticContact CZ-NE1 3.98Å; Y167-S182 PolarHBondContact OH-OG 2.86Å; Y167-A183 HydrophobicContact CE1-CB 4.35Å; Y167-A183 PolarHBondContact OH-N 3.33Å; Y167-A183 VanDerWaalsContact OH-N 3.12Å; Y167-E184 PolarHBondContact OH-N 3.43Å; Y167-V197 HydrophobicContact CD2-CG1 3.99Å; Y167-V197 HydrophobicContact CD2-CG2 4.19Å; Y167-V197 HydrophobicContact CE2-CG1 4.4Å |
| 168 | A | 74.3 | Confident | 68 | Low | 69 Ų | 69 | 84.7 Ų | 84.7 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y166 | Y166-A168 HydrophobicContact CD1-CB 4.42Å; Y166-A168 HydrophobicContact CE1-CB 3.77Å |
| 169 | V | 65.6 | Low | 69.7 | Low | 66 Ų | 66 | 85.1 Ų | 85.1 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -42.8 | -175.9 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | Y167 A183 E184 | Y167-V169 HydrophobicContact CD1-CB 4.45Å; Y167-V169 HydrophobicContact CD2-CG2 4.37Å; Y167-V169 HydrophobicContact CE1-CB 3.89Å; Y167-V169 HydrophobicContact CE1-CG2 4.41Å; Y167-V169 HydrophobicContact CE2-CB 4.08Å; Y167-V169 HydrophobicContact CE2-CG2 3.69Å; Y167-V169 PolarHBondContact O-N 3.34Å; Y167-V169 VanDerWaalsContact O-N 3.09Å; V169-A183 HydrophobicContact CG1-CB 3.94Å; V169-E184 HydrophobicContact CG1-CB 4.09Å; V169-E184 HydrophobicContact CG2-CB 4.12Å; V169-E184 HydrophobicContact CG2-CG 4.47Å |
| 170 | T | 70.4 | Confident | 71 | Confident | 59 Ų | 59 | 79.7 Ų | 79.7 | 36% | 0.362 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -3 | 175.1 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | Y167 T172 A183 | Y167-T170 HydrophobicContact CD1-CG2 4.27Å; Y167-T170 WeakPolarHBondContact CD1-OG1 3.28Å; Y167-T170 HydrophobicContact CE1-CG2 4.12Å; Y167-T170 PolarHBondContact O-N 3.04Å; T170-T172 PolarHBondContact O-N 2.85Å; T170-T172 PolarHBondContact OG1-OG1 3.29Å; T170-A183 HydrophobicContact CG2-CB 3.59Å |
| 171 | N | 70.4 | Confident | 72 | Confident | 115 Ų | 115 | 76.1 Ų | 76.1 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 29.9 | -178.9 | -149.1 | 0.9 | 0 | 0 | 0 | 113.1 | Y166 Y167 | Y166-N171 WeakPolarHBondContact CE2-OD1 3.25Å; Y166-N171 PolarHBondContact OH-OD1 3.49Å; Y167-N171 PolarHBondContact O-N 3.36Å |
| 172 | T | 72.6 | Confident | 72.8 | Confident | 53 Ų | 53 | 72.2 Ų | 72.2 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 150.5 | -175.6 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | Y167 T170 Y174 | Y167-T172 PolarHBondContact N-O 2.02Å; Y167-T172 PolarHBondContact O-N 2.9Å; T170-T172 PolarHBondContact O-N 2.85Å; T170-T172 PolarHBondContact OG1-OG1 3.29Å; T172-Y174 WeakPolarHBondContact OG1-CE2 3.19Å; T172-Y174 PolarHBondContact OG1-OH 3.27Å |
| 173 | Y | 81.7 | Confident | 73.2 | Confident | 166 Ų | 166 | 73.6 Ų | 73.6 | 65% | 0.651 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.9 | 171.1 | -72.1 | -95.3 | 0 | 0 | 0 | 109.9 | C165 Y166 | C165-Y173 WeakPolarHBondContact O-CA 3.4Å; Y166-Y173 HydrophobicContact CD2-CD1 4.31Å; Y166-Y173 HydrophobicContact CD2-CD2 4.06Å; Y166-Y173 AromaticContact CD2-CE1 3.95Å; Y166-Y173 HydrophobicContact CD2-CE1 3.95Å; Y166-Y173 AromaticContact CD2-CE2 3.65Å; Y166-Y173 HydrophobicContact CD2-CE2 3.65Å; Y166-Y173 HydrophobicContact CD2-CG 4.36Å; Y166-Y173 AromaticContact CD2-CZ 3.6Å; Y166-Y173 HydrophobicContact CE2-CE2 4.16Å; Y166-Y173 HydrophobicContact CG-CE1 4.15Å |
| 174 | Y | 79.3 | Confident | 72.7 | Confident | 47 Ų | 47 | 76.1 Ų | 76.1 | 18% | 0.184 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 143.8 | 174.8 | -68 | -80.9 | 0 | 0 | 0 | 109.7 | S164 C165 Y167 T172 D178 W180 | S164-Y174 CarbonylContact C-O 3.48Å; S164-Y174 WeakPolarHBondContact CA-O 3.18Å; S164-Y174 WeakPolarHBondContact CB-O 3.2Å; C165-Y174 PolarHBondContact N-O 3.25Å; C165-Y174 PolarHBondContact O-N 2.88Å; Y167-Y174 AromaticContact CD1-CE2 3.97Å; Y167-Y174 HydrophobicContact CD1-CE2 3.97Å; Y167-Y174 HydrophobicContact CG-CE2 4.21Å; T172-Y174 WeakPolarHBondContact OG1-CE2 3.19Å; T172-Y174 PolarHBondContact OG1-OH 3.27Å; Y174-D178 HydrophobicContact CD1-CB 4.24Å; Y174-W180 AromaticContact CD1-CD2 3.83Å; Y174-W180 HydrophobicContact CD1-CD2 3.83Å; Y174-W180 AromaticContact CD1-CE3 3.5Å; Y174-W180 HydrophobicContact CD1-CE3 3.5Å; Y174-W180 VanDerWaalsContact CD1-CE3 3.5Å; Y174-W180 HydrophobicContact CD1-CG 4.29Å; Y174-W180 AromaticContact CD1-CZ3 3.92Å; Y174-W180 HydrophobicContact CD1-CZ3 3.92Å; Y174-W180 AromaticContact CD2-CD2 3.83Å; Y174-W180 HydrophobicContact CD2-CD2 3.83Å; Y174-W180 AromaticContact CD2-CE2 3.61Å; Y174-W180 AromaticContact CD2-CE3 3.89Å; Y174-W180 HydrophobicContact CD2-CE3 3.89Å; Y174-W180 AromaticContact CD2-CH2 3.62Å; Y174-W180 HydrophobicContact CD2-CH2 3.62Å; Y174-W180 AromaticContact CD2-CZ2 3.51Å; Y174-W180 HydrophobicContact CD2-CZ2 3.51Å; Y174-W180 AromaticContact CD2-CZ3 3.8Å; Y174-W180 HydrophobicContact CD2-CZ3 3.8Å; Y174-W180 HydrophobicContact CE1-CB 3.78Å; Y174-W180 AromaticContact CE1-CD2 3.68Å; Y174-W180 HydrophobicContact CE1-CD2 3.68Å; Y174-W180 AromaticContact CE1-CE3 3.84Å; Y174-W180 HydrophobicContact CE1-CE3 3.84Å; Y174-W180 AromaticContact CE1-CG 3.67Å; Y174-W180 HydrophobicContact CE1-CG 3.67Å; Y174-W180 AromaticContact CE2-CD1 3.93Å; Y174-W180 AromaticContact CE2-CD2 3.67Å; Y174-W180 HydrophobicContact CE2-CD2 3.67Å; Y174-W180 AromaticContact CE2-CE2 3.43Å; Y174-W180 VanDerWaalsContact CE2-CE2 3.43Å; Y174-W180 HydrophobicContact CE2-CE3 4.19Å; Y174-W180 AromaticContact CE2-CG 3.99Å; Y174-W180 HydrophobicContact CE2-CG 3.99Å; Y174-W180 HydrophobicContact CE2-CH2 4.31Å; Y174-W180 AromaticContact CE2-CZ2 3.78Å; Y174-W180 HydrophobicContact CE2-CZ2 3.78Å; Y174-W180 HydrophobicContact CE2-CZ3 4.48Å; Y174-W180 AromaticContact CE2-NE1 3.61Å; Y174-W180 AromaticContact CG-CD2 3.89Å; Y174-W180 HydrophobicContact CG-CD2 3.89Å; Y174-W180 AromaticContact CG-CE3 3.52Å; Y174-W180 HydrophobicContact CG-CE3 3.52Å; Y174-W180 AromaticContact CG-CH2 3.77Å; Y174-W180 HydrophobicContact CG-CH2 3.77Å; Y174-W180 HydrophobicContact CG-CZ2 4.09Å; Y174-W180 AromaticContact CG-CZ3 3.46Å; Y174-W180 HydrophobicContact CG-CZ3 3.46Å; Y174-W180 VanDerWaalsContact CG-CZ3 3.46Å; Y174-W180 AromaticContact CZ-CD1 3.64Å; Y174-W180 AromaticContact CZ-CD2 3.6Å; Y174-W180 AromaticContact CZ-CE2 3.83Å; Y174-W180 AromaticContact CZ-CG 3.5Å; Y174-W180 AromaticContact CZ-NE1 3.84Å |
| 175 | Q | 79.5 | Confident | 71.5 | Confident | 138 Ų | 138 | 77.8 Ų | 77.8 | 65% | 0.645 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 166.5 | 175.7 | -57.8 | -165.4 | 14.2 | 0 | 0 | 112.8 | K177 D178 C192 | Q175-K177 PolarHBondContact O-N 2.92Å; Q175-D178 PolarHBondContact N-OD2 3.27Å; Q175-D178 WeakPolarHBondContact O-CB 3.46Å; Q175-D178 PolarHBondContact O-N 3.12Å; Q175-C192 VanDerWaalsContact C-SG 3.58Å; Q175-C192 WeakPolarHBondContact O-CB 3.35Å; Q175-C192 PolarHBondContact O-SG 3.15Å |
| 176 | H | 78.7 | Confident | 69.7 | Low | 57 Ų | 57 | 82.2 Ų | 82.2 | 26% | 0.264 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 132.1 | -179.2 | -176.7 | 51.6 | 0 | 0 | 0 | 111.6 | N163 D178 C192 H194 | N163-H176 HydrophobicContact CB-CB 3.75Å; N163-H176 WeakPolarHBondContact O-CA 3.3Å; N163-H176 VanDerWaalsContact O-CB 3.29Å; N163-H176 WeakPolarHBondContact O-CB 3.47Å; N163-H176 PolarHBondContact O-N 3.23Å; N163-H176 VanDerWaalsContact O-N 3.12Å; H176-D178 VanDerWaalsContact C-N 3.27Å; H176-C192 PolarHBondContact ND1-O 2.77Å; H176-H194 AromaticContact CE1-CD2 3.94Å; H176-H194 PolarHBondContact ND1-N 3.28Å |
| 177 | K | 73.7 | Confident | 67.9 | Low | 164 Ų | 164 | 80 Ų | 80 | 71% | 0.713 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -2.6 | -170.8 | -51.8 | 177.7 | 178.6 | 177.7 | 0 | 115.6 | Q175 C192 | Q175-K177 PolarHBondContact O-N 2.92Å; K177-C192 PolarHBondContact N-O 2.73Å |
| 178 | D | 73.2 | Confident | 66.8 | Low | 63 Ų | 63 | 80.2 Ų | 80.2 | 34% | 0.337 | 43% | 0.429 | S | S | . | . | trans | -59.4 | 146.7 | 170.1 | -74.3 | 2.7 | 0 | 0 | 0 | 110.8 | Y174 Q175 H176 K191 C192 | Y174-D178 HydrophobicContact CD1-CB 4.24Å; Q175-D178 PolarHBondContact N-OD2 3.27Å; Q175-D178 WeakPolarHBondContact O-CB 3.46Å; Q175-D178 PolarHBondContact O-N 3.12Å; H176-D178 VanDerWaalsContact C-N 3.27Å; D178-K191 CarbonylContact O-C 3.6Å; D178-K191 VanDerWaalsContact O-CA 3.22Å; D178-K191 WeakPolarHBondContact O-CA 3.3Å; D178-C192 PolarHBondContact O-N 2.87Å | ||
| 179 | I | 68 | Low | 66.2 | Low | 102 Ų | 102 | 82.5 Ų | 82.5 | 52% | 0.523 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 131.2 | -176 | -64.6 | 177.6 | 0 | 0 | 0 | 108.8 | K189 C190 K191 | I179-K189 HydrophobicContact CG2-CD 4.17Å; I179-K189 HydrophobicContact CG2-CG 3.81Å; I179-C190 CarbonylContact C-O 3.56Å; I179-C190 VanDerWaalsContact CA-O 3.29Å; I179-C190 WeakPolarHBondContact CA-O 3.4Å; I179-K191 HydrophobicContact CG1-CB 4.15Å |
| 180 | W | 68.1 | Low | 66.8 | Low | 20 Ų | 20 | 79.4 Ų | 79.4 | 8% | 0.076 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 170.7 | 175.8 | 66.1 | 107.6 | 0 | 0 | 0 | 110.9 | Y167 Y174 C190 C192 V197 | Y167-W180 HydrophobicContact CD1-CZ2 4.37Å; Y167-W180 AromaticContact CD1-NE1 3.19Å; Y167-W180 HydrophobicContact CD2-CZ2 4.28Å; Y167-W180 AromaticContact CE1-NE1 3.38Å; Y167-W180 AromaticContact CG-CZ2 3.98Å; Y167-W180 HydrophobicContact CG-CZ2 3.98Å; Y167-W180 AromaticContact CG-NE1 3.67Å; Y167-W180 AromaticContact CZ-NE1 3.98Å; Y174-W180 AromaticContact CD1-CD2 3.83Å; Y174-W180 HydrophobicContact CD1-CD2 3.83Å; Y174-W180 AromaticContact CD1-CE3 3.5Å; Y174-W180 HydrophobicContact CD1-CE3 3.5Å; Y174-W180 VanDerWaalsContact CD1-CE3 3.5Å; Y174-W180 HydrophobicContact CD1-CG 4.29Å; Y174-W180 AromaticContact CD1-CZ3 3.92Å; Y174-W180 HydrophobicContact CD1-CZ3 3.92Å; Y174-W180 AromaticContact CD2-CD2 3.83Å; Y174-W180 HydrophobicContact CD2-CD2 3.83Å; Y174-W180 AromaticContact CD2-CE2 3.61Å; Y174-W180 AromaticContact CD2-CE3 3.89Å; Y174-W180 HydrophobicContact CD2-CE3 3.89Å; Y174-W180 AromaticContact CD2-CH2 3.62Å; Y174-W180 HydrophobicContact CD2-CH2 3.62Å; Y174-W180 AromaticContact CD2-CZ2 3.51Å; Y174-W180 HydrophobicContact CD2-CZ2 3.51Å; Y174-W180 AromaticContact CD2-CZ3 3.8Å; Y174-W180 HydrophobicContact CD2-CZ3 3.8Å; Y174-W180 HydrophobicContact CE1-CB 3.78Å; Y174-W180 AromaticContact CE1-CD2 3.68Å; Y174-W180 HydrophobicContact CE1-CD2 3.68Å; Y174-W180 AromaticContact CE1-CE3 3.84Å; Y174-W180 HydrophobicContact CE1-CE3 3.84Å; Y174-W180 AromaticContact CE1-CG 3.67Å; Y174-W180 HydrophobicContact CE1-CG 3.67Å; Y174-W180 AromaticContact CE2-CD1 3.93Å; Y174-W180 AromaticContact CE2-CD2 3.67Å; Y174-W180 HydrophobicContact CE2-CD2 3.67Å; Y174-W180 AromaticContact CE2-CE2 3.43Å; Y174-W180 VanDerWaalsContact CE2-CE2 3.43Å; Y174-W180 HydrophobicContact CE2-CE3 4.19Å; Y174-W180 AromaticContact CE2-CG 3.99Å; Y174-W180 HydrophobicContact CE2-CG 3.99Å; Y174-W180 HydrophobicContact CE2-CH2 4.31Å; Y174-W180 AromaticContact CE2-CZ2 3.78Å; Y174-W180 HydrophobicContact CE2-CZ2 3.78Å; Y174-W180 HydrophobicContact CE2-CZ3 4.48Å; Y174-W180 AromaticContact CE2-NE1 3.61Å; Y174-W180 AromaticContact CG-CD2 3.89Å; Y174-W180 HydrophobicContact CG-CD2 3.89Å; Y174-W180 AromaticContact CG-CE3 3.52Å; Y174-W180 HydrophobicContact CG-CE3 3.52Å; Y174-W180 AromaticContact CG-CH2 3.77Å; Y174-W180 HydrophobicContact CG-CH2 3.77Å; Y174-W180 HydrophobicContact CG-CZ2 4.09Å; Y174-W180 AromaticContact CG-CZ3 3.46Å; Y174-W180 HydrophobicContact CG-CZ3 3.46Å; Y174-W180 VanDerWaalsContact CG-CZ3 3.46Å; Y174-W180 AromaticContact CZ-CD1 3.64Å; Y174-W180 AromaticContact CZ-CD2 3.6Å; Y174-W180 AromaticContact CZ-CE2 3.83Å; Y174-W180 AromaticContact CZ-CG 3.5Å; Y174-W180 AromaticContact CZ-NE1 3.84Å; W180-C190 HydrophobicContact CD2-CB 3.76Å; W180-C190 VanDerWaalsContact CE2-CB 3.43Å; W180-C190 HydrophobicContact CE3-CB 4.33Å; W180-C190 HydrophobicContact CG-CB 4.18Å; W180-C190 HydrophobicContact CH2-CB 4.31Å; W180-C190 HydrophobicContact CZ2-CB 3.75Å; W180-C190 PolarHBondContact N-O 2.74Å; W180-C190 PolarHBondContact O-N 2.98Å; W180-C190 VanDerWaalsContact O-O 3.12Å; W180-C192 HydrophobicContact CH2-CB 4Å; W180-C192 HydrophobicContact CZ3-CB 3.76Å; W180-C192 VanDerWaalsContact CZ3-N 3.35Å; W180-V197 HydrophobicContact CH2-CB 4.32Å; W180-V197 HydrophobicContact CH2-CG1 3.9Å; W180-V197 HydrophobicContact CH2-CG2 3.89Å; W180-V197 HydrophobicContact CZ2-CB 4.18Å; W180-V197 HydrophobicContact CZ2-CG1 3.44Å; W180-V197 VanDerWaalsContact CZ2-CG1 3.44Å; W180-V197 HydrophobicContact CZ2-CG2 3.77Å |
| 181 | M | 62.2 | Low | 67.3 | Low | 108 Ų | 108 | 80.5 Ų | 80.5 | 53% | 0.532 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.8 | 170 | -62.7 | -56.8 | -65.7 | 0 | 0 | 109.5 | A183 V188 K189 | M181-A183 PolarHBondContact O-N 2.94Å; M181-V188 CarbonylContact C-O 3.51Å; M181-V188 WeakPolarHBondContact CA-O 3.25Å; M181-V188 WeakPolarHBondContact CE-O 3.36Å; M181-K189 HydrophobicContact SD-CB 4.37Å |
| 182 | S | 64.6 | Low | 68 | Low | 11 Ų | 11 | 75.1 Ų | 75.1 | 8% | 0.077 | 38% | 0.378 | C | S | . | . | trans | -58.9 | 129.5 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | Y167 E184 V185 V188 C190 | Y167-S182 PolarHBondContact OH-OG 2.86Å; S182-E184 VanDerWaalsContact C-N 3.29Å; S182-E184 PolarHBondContact OG-N 3.18Å; S182-V185 WeakPolarHBondContact CB-O 3.44Å; S182-V185 PolarHBondContact OG-N 2.77Å; S182-V185 VanDerWaalsContact OG-N 3.15Å; S182-V188 PolarHBondContact N-O 2.85Å; S182-C190 VanDerWaalsContact CB-SG 3.55Å | ||
| 183 | A | 57.1 | Low | 68.4 | Low | 65 Ų | 65 | 75.5 Ų | 75.5 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -79.1 | -17.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y167 V169 T170 M181 | Y167-A183 HydrophobicContact CE1-CB 4.35Å; Y167-A183 PolarHBondContact OH-N 3.33Å; Y167-A183 VanDerWaalsContact OH-N 3.12Å; V169-A183 HydrophobicContact CG1-CB 3.94Å; T170-A183 HydrophobicContact CG2-CB 3.59Å; M181-A183 PolarHBondContact O-N 2.94Å |
| 184 | E | 56.5 | Low | 68.1 | Low | 140 Ų | 140 | 74 Ų | 74 | 65% | 0.654 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -88 | -33.2 | -178.3 | -162.2 | 170.6 | -150 | 0 | 0 | 112.3 | Y167 V169 S182 | Y167-E184 PolarHBondContact OH-N 3.43Å; V169-E184 HydrophobicContact CG1-CB 4.09Å; V169-E184 HydrophobicContact CG2-CB 4.12Å; V169-E184 HydrophobicContact CG2-CG 4.47Å; S182-E184 VanDerWaalsContact C-N 3.29Å; S182-E184 PolarHBondContact OG-N 3.18Å |
| 185 | V | 52.2 | Low | 68 | Low | 75 Ų | 75 | 72.8 Ų | 72.8 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -133.2 | 106.2 | 178.9 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | S182 V188 | S182-V185 WeakPolarHBondContact CB-O 3.44Å; S182-V185 PolarHBondContact OG-N 2.77Å; S182-V185 VanDerWaalsContact OG-N 3.15Å; V185-V188 HydrophobicContact CB-CB 4.24Å; V185-V188 HydrophobicContact CB-CG2 3.68Å; V185-V188 HydrophobicContact CG1-CG2 3.48Å; V185-V188 VanDerWaalsContact CG1-CG2 3.48Å; V185-V188 WeakPolarHBondContact O-CB 3.3Å; V185-V188 PolarHBondContact O-N 3.11Å |
| 186 | P | 47.4 | Very low | 68 | Low | 93 Ų | 93 | 71.2 Ų | 71.2 | 60% | 0.604 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 153.5 | 178.5 | 24.2 | -32.8 | 0 | 0 | 0 | 111.7 | V188 | P186-V188 PolarHBondContact O-N 2.93Š|
| 187 | C | 47.9 | Very low | 68.2 | Low | 55 Ų | 55 | 70.6 Ų | 70.6 | 37% | 0.372 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 1 | -172.6 | -49.8 | 0 | 0 | 0 | 0 | 116.4 | P221 | C187-P221 PolarHBondContact SG-O 2.88Š|
| 188 | V | 59.2 | Low | 68.5 | Low | 19 Ų | 19 | 67.1 Ų | 67.1 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | trans | -88 | 128.2 | 175 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | M181 S182 V185 P186 C199 | M181-V188 CarbonylContact C-O 3.51Å; M181-V188 WeakPolarHBondContact CA-O 3.25Å; M181-V188 WeakPolarHBondContact CE-O 3.36Å; S182-V188 PolarHBondContact N-O 2.85Å; V185-V188 HydrophobicContact CB-CB 4.24Å; V185-V188 HydrophobicContact CB-CG2 3.68Å; V185-V188 HydrophobicContact CG1-CG2 3.48Å; V185-V188 VanDerWaalsContact CG1-CG2 3.48Å; V185-V188 WeakPolarHBondContact O-CB 3.3Å; V185-V188 PolarHBondContact O-N 3.11Å; P186-V188 PolarHBondContact O-N 2.93Å; V188-C199 HydrophobicContact CG1-CB 3.68Å | ||
| 189 | K | 61.5 | Low | 68.6 | Low | 117 Ų | 117 | 66.8 Ų | 66.8 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 113.7 | 177.7 | -171.8 | 176.8 | -175.4 | 177.5 | 0 | 110.2 | I179 M181 V200 | I179-K189 HydrophobicContact CG2-CD 4.17Å; I179-K189 HydrophobicContact CG2-CG 3.81Å; M181-K189 HydrophobicContact SD-CB 4.37Å; K189-V200 PolarHBondContact N-O 3.23Å; K189-V200 VanDerWaalsContact N-O 3.11Å; K189-V200 PolarHBondContact O-N 3.38Å |
| 190 | C | 77.5 | Confident | 68.3 | Low | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 143.5 | 174.1 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | I179 W180 S182 V197 H198 C199 | I179-C190 CarbonylContact C-O 3.56Å; I179-C190 VanDerWaalsContact CA-O 3.29Å; I179-C190 WeakPolarHBondContact CA-O 3.4Å; W180-C190 HydrophobicContact CD2-CB 3.76Å; W180-C190 VanDerWaalsContact CE2-CB 3.43Å; W180-C190 HydrophobicContact CE3-CB 4.33Å; W180-C190 HydrophobicContact CG-CB 4.18Å; W180-C190 HydrophobicContact CH2-CB 4.31Å; W180-C190 HydrophobicContact CZ2-CB 3.75Å; W180-C190 PolarHBondContact N-O 2.74Å; W180-C190 PolarHBondContact O-N 2.98Å; W180-C190 VanDerWaalsContact O-O 3.12Å; S182-C190 VanDerWaalsContact CB-SG 3.55Å; C190-V197 HydrophobicContact CB-CG1 4.25Å; C190-H198 WeakPolarHBondContact CA-O 3.41Å; C190-C199 HydrophobicContact CB-CB 4.14Å; C190-C199 WeakPolarHBondContact CB-SG 3.42Å; C190-C199 WeakPolarHBondContact SG-CB 3.19Å; C190-C199 CovalentContact SG-SG 2.05Å; C190-C199 PolarHBondContact SG-SG 3.38Å |
| 191 | K | 82.3 | Confident | 67.4 | Low | 83 Ų | 83 | 66.9 Ų | 66.9 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.8 | 170.3 | 59.7 | 169.9 | 173.9 | 164.5 | 0 | 110.6 | D178 I179 H198 | D178-K191 CarbonylContact O-C 3.6Å; D178-K191 VanDerWaalsContact O-CA 3.22Å; D178-K191 WeakPolarHBondContact O-CA 3.3Å; I179-K191 HydrophobicContact CG1-CB 4.15Å; K191-H198 HydrophobicContact CG-CB 4.03Å; K191-H198 WeakPolarHBondContact CG-O 3.34Å; K191-H198 PolarHBondContact N-O 3.01Å; K191-H198 PolarHBondContact O-N 3.45Å |
| 192 | C | 84.9 | Confident | 66.4 | Low | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.007 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 113.6 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | N163 C165 Q175 H176 K177 D178 W180 | N163-C192 PolarHBondContact O-SG 2.56Å; C165-C192 HydrophobicContact CB-CB 3.72Å; C165-C192 WeakPolarHBondContact CB-SG 3.5Å; C165-C192 PolarHBondContact N-SG 2.83Å; C165-C192 VanDerWaalsContact SG-C 3.6Å; C165-C192 WeakPolarHBondContact SG-CA 3.28Å; C165-C192 WeakPolarHBondContact SG-CB 3.48Å; C165-C192 CovalentContact SG-SG 2.02Å; C165-C192 PolarHBondContact SG-SG 3.11Å; Q175-C192 VanDerWaalsContact C-SG 3.58Å; Q175-C192 WeakPolarHBondContact O-CB 3.35Å; Q175-C192 PolarHBondContact O-SG 3.15Å; H176-C192 PolarHBondContact ND1-O 2.77Å; K177-C192 PolarHBondContact N-O 2.73Å; D178-C192 PolarHBondContact O-N 2.87Å; W180-C192 HydrophobicContact CH2-CB 4Å; W180-C192 HydrophobicContact CZ3-CB 3.76Å; W180-C192 VanDerWaalsContact CZ3-N 3.35Å |
| 193 | Q | 80.5 | Confident | 65.1 | Low | 62 Ų | 62 | 72 Ų | 72 | 29% | 0.29 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 117 | -178.9 | -153.9 | 176.2 | -21.8 | 0 | 0 | 111.1 | G195 N196 | Q193-G195 PolarHBondContact O-N 3.48Å; Q193-N196 PolarHBondContact N-O 3.18Å; Q193-N196 PolarHBondContact O-N 2.81Å; Q193-N196 VanDerWaalsContact O-N 3.12Å; Q193-N196 VanDerWaalsContact O-O 3.13Å |
| 194 | H | 75.9 | Confident | 64.1 | Low | 134 Ų | 134 | 75.6 Ų | 75.6 | 62% | 0.62 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 44.6 | -179.7 | -44.8 | 128.8 | 0 | 0 | 0 | 114.3 | H176 N196 | H176-H194 AromaticContact CE1-CD2 3.94Å; H176-H194 PolarHBondContact ND1-N 3.28Å; H194-N196 PolarHBondContact O-N 3.33Å |
| 195 | G | 77 | Confident | 62.9 | Low | 21 Ų | 21 | 76.4 Ų | 76.4 | 22% | 0.216 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -7.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S162 C165 Q193 | S162-G195 WeakPolarHBondContact O-CA 3.47Å; C165-G195 WeakPolarHBondContact CA-O 3.19Å; C165-G195 VanDerWaalsContact SG-CA 3.52Å; Q193-G195 PolarHBondContact O-N 3.48Å |
| 196 | N | 80.1 | Confident | 62.1 | Low | 106 Ų | 106 | 75.2 Ų | 75.2 | 57% | 0.567 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 139.6 | 176.4 | -68.3 | -39.3 | 0 | 0 | 0 | 112.5 | C165 Q193 H194 H198 | C165-N196 PolarHBondContact SG-N 2.03Å; C165-N196 PolarHBondContact SG-O 3.09Å; Q193-N196 PolarHBondContact N-O 3.18Å; Q193-N196 PolarHBondContact O-N 2.81Å; Q193-N196 VanDerWaalsContact O-N 3.12Å; Q193-N196 VanDerWaalsContact O-O 3.13Å; H194-N196 PolarHBondContact O-N 3.33Å; N196-H198 PolarHBondContact O-N 2.83Å |
| 197 | V | 82.3 | Confident | 61.5 | Low | 43 Ų | 43 | 74.6 Ų | 74.6 | 26% | 0.261 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 117 | 171.8 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | C165 Y167 W180 C190 C199 | C165-V197 HydrophobicContact CB-CG2 3.82Å; Y167-V197 HydrophobicContact CD2-CG1 3.99Å; Y167-V197 HydrophobicContact CD2-CG2 4.19Å; Y167-V197 HydrophobicContact CE2-CG1 4.4Å; W180-V197 HydrophobicContact CH2-CB 4.32Å; W180-V197 HydrophobicContact CH2-CG1 3.9Å; W180-V197 HydrophobicContact CH2-CG2 3.89Å; W180-V197 HydrophobicContact CZ2-CB 4.18Å; W180-V197 HydrophobicContact CZ2-CG1 3.44Å; W180-V197 VanDerWaalsContact CZ2-CG1 3.44Å; W180-V197 HydrophobicContact CZ2-CG2 3.77Å; C190-V197 HydrophobicContact CB-CG1 4.25Å; V197-C199 WeakPolarHBondContact CG1-SG 3.06Å |
| 198 | H | 79.8 | Confident | 61.1 | Low | 92 Ų | 92 | 74.6 Ų | 74.6 | 43% | 0.426 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 99.2 | 173 | -84.6 | -83.4 | 0 | 0 | 0 | 110.3 | C190 K191 N196 | C190-H198 WeakPolarHBondContact CA-O 3.41Å; K191-H198 HydrophobicContact CG-CB 4.03Å; K191-H198 WeakPolarHBondContact CG-O 3.34Å; K191-H198 PolarHBondContact N-O 3.01Å; K191-H198 PolarHBondContact O-N 3.45Å; N196-H198 PolarHBondContact O-N 2.83Å |
| 199 | C | 74.9 | Confident | 60.4 | Low | 56 Ų | 56 | 77.9 Ų | 77.9 | 38% | 0.378 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 117.6 | 174 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | V188 C190 V197 | V188-C199 HydrophobicContact CG1-CB 3.68Å; C190-C199 HydrophobicContact CB-CB 4.14Å; C190-C199 WeakPolarHBondContact CB-SG 3.42Å; C190-C199 WeakPolarHBondContact SG-CB 3.19Å; C190-C199 CovalentContact SG-SG 2.05Å; C190-C199 PolarHBondContact SG-SG 3.38Å; V197-C199 WeakPolarHBondContact CG1-SG 3.06Å |
| 200 | V | 61.4 | Low | 59.9 | Low | 83 Ų | 83 | 73.2 Ų | 73.2 | 50% | 0.503 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 108.1 | 174.1 | -175 | 0 | 0 | 0 | 0 | 107.9 | K189 E202 | K189-V200 PolarHBondContact N-O 3.23Å; K189-V200 VanDerWaalsContact N-O 3.11Å; K189-V200 PolarHBondContact O-N 3.38Å; V200-E202 PolarHBondContact O-N 2.81Å |
| 201 | G | 50.2 | Low | 58.5 | Low | 41 Ų | 41 | 76.6 Ų | 76.6 | 42% | 0.423 | 43% | 0.425 | S | S | . | . | trans | -82.7 | 96.2 | 165 | 0 | 0 | 0 | 0 | 0 | 108.5 | P203 | G201-P203 WeakPolarHBondContact O-CD 3.32Š| ||
| 202 | E | 40.5 | Very low | 56.9 | Low | 134 Ų | 134 | 74.6 Ų | 74.6 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | trans | -74.2 | 109.1 | 139.7 | -76.9 | -174.2 | 173.6 | 0 | 0 | 105.1 | V200 H204 | V200-E202 PolarHBondContact O-N 2.81Å; E202-H204 PolarHBondContact O-N 3.29Å | ||
| 203 | P | 38 | Very low | 55.2 | Low | 91 Ų | 91 | 76.9 Ų | 76.9 | 59% | 0.591 | 45% | 0.445 | S | S | * | . | trans | -60.3 | 104.5 | 156.1 | 28.2 | -31.1 | 0 | 0 | 0 | 104.8 | G201 Q205 | G201-P203 WeakPolarHBondContact O-CD 3.32Å; P203-Q205 HydrophobicContact CB-CG 4.09Å; P203-Q205 HydrophobicContact CG-CG 4.29Å; P203-Q205 PolarHBondContact O-N 2.81Å | ||
| 204 | H | 35.6 | Very low | 54.1 | Low | 141 Ų | 141 | 76.5 Ų | 76.5 | 65% | 0.653 | 44% | 0.443 | S | S | * | . | trans | -59.5 | 85.4 | 149.5 | -71.7 | -44.5 | 0 | 0 | 0 | 105.2 | E202 C206 | E202-H204 PolarHBondContact O-N 3.29Å; H204-C206 PolarHBondContact O-N 3.35Å | ||
| 205 | Q | 32.7 | Very low | 52.9 | Low | 157 Ų | 157 | 76.9 Ų | 76.9 | 73% | 0.734 | 44% | 0.44 | S | S | * | . | trans | -62.9 | 82.1 | 166.5 | -67.6 | -179.3 | -5.4 | 0 | 0 | 104.8 | P203 P207 | P203-Q205 HydrophobicContact CB-CG 4.09Å; P203-Q205 HydrophobicContact CG-CG 4.29Å; P203-Q205 PolarHBondContact O-N 2.81Å; Q205-P207 VanDerWaalsContact C-N 3.28Å; Q205-P207 WeakPolarHBondContact O-CD 3.48Å | ||
| 206 | C | 34.3 | Very low | 51.6 | Low | 51 Ų | 51 | 79.3 Ų | 79.3 | 35% | 0.345 | 45% | 0.454 | S | S | . | . | trans | -56.7 | 101.4 | 158.5 | -90.4 | 0 | 0 | 0 | 0 | 104.1 | H204 S208 C223 | H204-C206 PolarHBondContact O-N 3.35Å; C206-S208 PolarHBondContact O-N 2.04Å; C206-S208 PolarHBondContact O-OG 3.26Å; C206-C223 HydrophobicContact CB-CB 3.67Å; C206-C223 WeakPolarHBondContact CB-SG 3.05Å; C206-C223 WeakPolarHBondContact SG-CB 3.28Å; C206-C223 CovalentContact SG-SG 2.04Å; C206-C223 PolarHBondContact SG-SG 2.96Å | ||
| 207 | P | 34.8 | Very low | 50 | Low | 80 Ų | 80 | 78.4 Ų | 78.4 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | trans | -81.5 | 80.7 | -151.7 | 31.1 | -32.2 | 0 | 0 | 0 | 108.6 | Q205 V209 | Q205-P207 VanDerWaalsContact C-N 3.28Å; Q205-P207 WeakPolarHBondContact O-CD 3.48Å; P207-V209 PolarHBondContact O-N 3.49Å | ||
| 208 | S | 40.7 | Very low | 48 | Very low | 54 Ų | 54 | 81.6 Ų | 81.6 | 38% | 0.378 | 47% | 0.467 | S | S | . | . | trans | -101.5 | 78.8 | -175.8 | 37.6 | 0 | 0 | 0 | 0 | 106.6 | C206 C210 T225 | C206-S208 PolarHBondContact O-N 2.04Å; C206-S208 PolarHBondContact O-OG 3.26Å; S208-C210 PolarHBondContact O-N 3.29Å; S208-T225 WeakPolarHBondContact CB-OG1 3.38Å; S208-T225 WeakPolarHBondContact OG-CG2 3.25Å; S208-T225 PolarHBondContact OG-OG1 3.37Å | ||
| 209 | V | 44.1 | Very low | 46 | Very low | 88 Ų | 88 | 78.8 Ų | 78.8 | 53% | 0.533 | 46% | 0.46 | S | S | . | . | trans | -71.2 | 98.1 | 179.8 | -174.5 | 0 | 0 | 0 | 0 | 107.4 | P207 | P207-V209 PolarHBondContact O-N 3.49Š| ||
| 210 | C | 49.9 | Very low | 44.2 | Very low | 20 Ų | 20 | 78.7 Ų | 78.7 | 14% | 0.135 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 141 | 168.7 | -67.1 | 0 | 0 | 0 | 0 | 109.7 | S208 Q214 C227 | S208-C210 PolarHBondContact O-N 3.29Å; C210-Q214 HydrophobicContact CB-CB 4.13Å; C210-C227 WeakPolarHBondContact CA-SG 3.18Å; C210-C227 HydrophobicContact CB-CB 3.7Å; C210-C227 WeakPolarHBondContact CB-SG 3Å; C210-C227 VanDerWaalsContact SG-CA 3.51Å; C210-C227 WeakPolarHBondContact SG-CB 3.19Å; C210-C227 CovalentContact SG-SG 2.04Å; C210-C227 PolarHBondContact SG-SG 3.44Å |
| 211 | L | 48.1 | Very low | 43.1 | Very low | 70 Ų | 70 | 79.8 Ų | 79.8 | 37% | 0.366 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -63 | 141.1 | 179.9 | -68.3 | 170.8 | 0 | 0 | 0 | 109.7 | G213 Q214 V231 | L211-G213 PolarHBondContact O-N 2.79Å; L211-Q214 HydrophobicContact CB-CG 4.32Å; L211-Q214 WeakPolarHBondContact O-CA 3.33Å; L211-Q214 WeakPolarHBondContact O-CB 3.11Å; L211-Q214 WeakPolarHBondContact O-CG 3.42Å; L211-Q214 PolarHBondContact O-N 3.18Å; L211-V231 HydrophobicContact CB-CG1 4.02Å; L211-V231 HydrophobicContact CB-CG2 3.88Å; L211-V231 HydrophobicContact CD1-CG1 4.32Å; L211-V231 HydrophobicContact CD1-CG2 3.6Å; L211-V231 HydrophobicContact CG-CG2 4.4Å |
| 212 | P | 48.8 | Very low | 42.4 | Very low | 42 Ų | 42 | 82.4 Ų | 82.4 | 27% | 0.273 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 139.7 | 179.4 | -34.1 | 44.1 | 0 | 0 | 0 | 112.6 | Q214 V231 S232 I235 F237 | P212-Q214 VanDerWaalsContact C-N 3.29Å; P212-V231 WeakPolarHBondContact O-CA 3.08Å; P212-S232 PolarHBondContact O-N 3.18Å; P212-I235 HydrophobicContact CB-CD1 4.04Å; P212-F237 HydrophobicContact CB-CE2 3.97Å; P212-F237 HydrophobicContact CB-CZ 4.27Å; P212-F237 HydrophobicContact CG-CD2 4.4Å; P212-F237 HydrophobicContact CG-CE2 3.48Å; P212-F237 VanDerWaalsContact CG-CE2 3.48Å; P212-F237 HydrophobicContact CG-CZ 3.68Å |
| 213 | G | 50.5 | Low | 42.4 | Very low | 49 Ų | 49 | 79.6 Ų | 79.6 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -19 | -163.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L211 T230 | L211-G213 PolarHBondContact O-N 2.79Å; G213-T230 CarbonylContact C-O 3.26Å; G213-T230 VanDerWaalsContact C-O 3.26Å; G213-T230 WeakPolarHBondContact CA-O 3.27Å |
| 214 | Q | 56.4 | Low | 42.3 | Very low | 53 Ų | 53 | 81.9 Ų | 81.9 | 25% | 0.248 | 49% | 0.485 | C | S | . | . | trans | -97 | 146.2 | 169.7 | -47.9 | -170.4 | -46.7 | 0 | 0 | 111.4 | C210 L211 P212 C227 K228 G229 V231 | C210-Q214 HydrophobicContact CB-CB 4.13Å; L211-Q214 HydrophobicContact CB-CG 4.32Å; L211-Q214 WeakPolarHBondContact O-CA 3.33Å; L211-Q214 WeakPolarHBondContact O-CB 3.11Å; L211-Q214 WeakPolarHBondContact O-CG 3.42Å; L211-Q214 PolarHBondContact O-N 3.18Å; P212-Q214 VanDerWaalsContact C-N 3.29Å; Q214-C227 HydrophobicContact CB-CB 4.23Å; Q214-K228 CarbonylContact C-O 3.56Å; Q214-K228 WeakPolarHBondContact CA-O 3.34Å; Q214-K228 WeakPolarHBondContact CB-O 2.99Å; Q214-G229 WeakPolarHBondContact CG-O 3.48Å; Q214-G229 PolarHBondContact NE2-O 3.41Å; Q214-G229 VanDerWaalsContact NE2-O 3.1Å; Q214-V231 HydrophobicContact CG-CG2 4.24Å | ||
| 215 | Y | 50.5 | Low | 42.7 | Very low | 142 Ų | 142 | 77.5 Ų | 77.5 | 56% | 0.557 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.1 | 169.1 | 57.8 | -85.7 | 0 | 0 | 0 | 109.9 | K228 | Y215-K228 WeakPolarHBondContact CD1-O 3.2Å; Y215-K228 HydrophobicContact CD2-CB 4.47Å; Y215-K228 HydrophobicContact CE1-CB 4.1Å; Y215-K228 WeakPolarHBondContact CE1-O 3.47Å; Y215-K228 HydrophobicContact CE2-CB 3.89Å; Y215-K228 PolarHBondContact N-O 2.8Å; Y215-K228 PolarHBondContact O-N 2.75Å |
| 216 | S | 49.7 | Very low | 43.5 | Very low | 73 Ų | 73 | 74.1 Ų | 74.1 | 51% | 0.51 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 128.8 | 172.7 | 52.6 | 0 | 0 | 0 | 0 | 110 | ||
| 217 | Q | 46.1 | Very low | 44.3 | Very low | 87 Ų | 87 | 73.9 Ų | 73.9 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.3 | 163.8 | -166.9 | 170.3 | 13.8 | 0 | 0 | 108.1 | A219 I226 | Q217-A219 PolarHBondContact O-N 3.42Å; Q217-I226 PolarHBondContact N-O 3.48Å; Q217-I226 PolarHBondContact O-N 2.64Å |
| 218 | P | 40.7 | Very low | 45 | Very low | 109 Ų | 109 | 74.4 Ų | 74.4 | 71% | 0.708 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 122.7 | 179 | 26.2 | -33.1 | 0 | 0 | 0 | 109.8 | ||
| 219 | A | 39.2 | Very low | 45.8 | Very low | 33 Ų | 33 | 73.9 Ų | 73.9 | 27% | 0.273 | 45% | 0.45 | S | S | . | . | trans | -112.1 | 86 | -178 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q217 H224 I226 | Q217-A219 PolarHBondContact O-N 3.42Å; A219-H224 CarbonylContact C-O 3.53Å; A219-H224 WeakPolarHBondContact CA-O 3.12Å; A219-H224 HydrophobicContact CB-CB 4.3Å; A219-H224 WeakPolarHBondContact CB-O 3.44Å; A219-H224 PolarHBondContact N-O 3.28Å; A219-H224 VanDerWaalsContact O-CB 3.28Å; A219-H224 WeakPolarHBondContact O-CB 3.4Å; A219-I226 HydrophobicContact CB-CB 4.41Å; A219-I226 HydrophobicContact CB-CD1 3.57Å; A219-I226 HydrophobicContact CB-CG1 3.62Å | ||
| 220 | G | 36.2 | Very low | 46.2 | Very low | 55 Ų | 55 | 75.6 Ų | 75.6 | 57% | 0.567 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 87.4 | 177.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C222 | G220-C222 PolarHBondContact O-N 3.43Š|
| 221 | P | 38.5 | Very low | 46.2 | Very low | 105 Ų | 105 | 77.8 Ų | 77.8 | 68% | 0.682 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -79 | -14.7 | -160.2 | 28.5 | -35.1 | 0 | 0 | 0 | 115.8 | C187 | C187-P221 PolarHBondContact SG-O 2.88Š|
| 222 | C | 35.1 | Very low | 46.2 | Very low | 97 Ų | 97 | 76.8 Ų | 76.8 | 66% | 0.655 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -144.9 | 124.1 | 177.1 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | G220 H224 | G220-C222 PolarHBondContact O-N 3.43Å; C222-H224 VanDerWaalsContact C-N 3.29Å; C222-H224 PolarHBondContact O-N 3.05Å |
| 223 | C | 40.6 | Very low | 46.3 | Very low | 75 Ų | 75 | 80.7 Ų | 80.7 | 51% | 0.507 | 50% | 0.496 | S | S | . | . | S | Bend | trans | 54.8 | 22 | 156.9 | -61.8 | 0 | 0 | 0 | 0 | 119.6 | C206 | C206-C223 HydrophobicContact CB-CB 3.67Å; C206-C223 WeakPolarHBondContact CB-SG 3.05Å; C206-C223 WeakPolarHBondContact SG-CB 3.28Å; C206-C223 CovalentContact SG-SG 2.04Å; C206-C223 PolarHBondContact SG-SG 2.96Å |
| 224 | H | 36.1 | Very low | 46.2 | Very low | 138 Ų | 138 | 85.2 Ų | 85.2 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | trans | -113 | 114.8 | 158.6 | -110.1 | 57.6 | 0 | 0 | 0 | 109.6 | A219 C222 | A219-H224 CarbonylContact C-O 3.53Å; A219-H224 WeakPolarHBondContact CA-O 3.12Å; A219-H224 HydrophobicContact CB-CB 4.3Å; A219-H224 WeakPolarHBondContact CB-O 3.44Å; A219-H224 PolarHBondContact N-O 3.28Å; A219-H224 VanDerWaalsContact O-CB 3.28Å; A219-H224 WeakPolarHBondContact O-CB 3.4Å; C222-H224 VanDerWaalsContact C-N 3.29Å; C222-H224 PolarHBondContact O-N 3.05Å | ||
| 225 | T | 44.4 | Very low | 45.4 | Very low | 49 Ų | 49 | 86.5 Ų | 86.5 | 30% | 0.301 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.6 | 164 | 52 | 0 | 0 | 0 | 0 | 108.4 | S208 | S208-T225 WeakPolarHBondContact CB-OG1 3.38Å; S208-T225 WeakPolarHBondContact OG-CG2 3.25Å; S208-T225 PolarHBondContact OG-OG1 3.37Å |
| 226 | I | 48.2 | Very low | 44.9 | Very low | 87 Ų | 87 | 86.7 Ų | 86.7 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.1 | 166.9 | -64.6 | 170.1 | 0 | 0 | 0 | 106.8 | Q217 A219 K228 | Q217-I226 PolarHBondContact N-O 3.48Å; Q217-I226 PolarHBondContact O-N 2.64Å; A219-I226 HydrophobicContact CB-CB 4.41Å; A219-I226 HydrophobicContact CB-CD1 3.57Å; A219-I226 HydrophobicContact CB-CG1 3.62Å; I226-K228 HydrophobicContact CG2-CG 4.19Å |
| 227 | C | 51 | Low | 44.4 | Very low | 45 Ų | 45 | 88 Ų | 88 | 30% | 0.304 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.6 | 172.3 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | C210 Q214 | C210-C227 WeakPolarHBondContact CA-SG 3.18Å; C210-C227 HydrophobicContact CB-CB 3.7Å; C210-C227 WeakPolarHBondContact CB-SG 3Å; C210-C227 VanDerWaalsContact SG-CA 3.51Å; C210-C227 WeakPolarHBondContact SG-CB 3.19Å; C210-C227 CovalentContact SG-SG 2.04Å; C210-C227 PolarHBondContact SG-SG 3.44Å; Q214-C227 HydrophobicContact CB-CB 4.23Å |
| 228 | K | 49.6 | Very low | 44.5 | Very low | 92 Ų | 92 | 93.6 Ų | 93.6 | 40% | 0.4 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.4 | 176.7 | -76.6 | -175.2 | 179.1 | 169.1 | 0 | 110.8 | Q214 Y215 I226 | Q214-K228 CarbonylContact C-O 3.56Å; Q214-K228 WeakPolarHBondContact CA-O 3.34Å; Q214-K228 WeakPolarHBondContact CB-O 2.99Å; Y215-K228 WeakPolarHBondContact CD1-O 3.2Å; Y215-K228 HydrophobicContact CD2-CB 4.47Å; Y215-K228 HydrophobicContact CE1-CB 4.1Å; Y215-K228 WeakPolarHBondContact CE1-O 3.47Å; Y215-K228 HydrophobicContact CE2-CB 3.89Å; Y215-K228 PolarHBondContact N-O 2.8Å; Y215-K228 PolarHBondContact O-N 2.75Å; I226-K228 HydrophobicContact CG2-CG 4.19Å |
| 229 | G | 58.6 | Low | 44.8 | Very low | 43 Ų | 43 | 91.7 Ų | 91.7 | 44% | 0.443 | 54% | 0.536 | S | S | . | . | S | Bend | trans | 120 | 162.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q214 | Q214-G229 WeakPolarHBondContact CG-O 3.48Å; Q214-G229 PolarHBondContact NE2-O 3.41Å; Q214-G229 VanDerWaalsContact NE2-O 3.1Å |
| 230 | T | 52.8 | Low | 45.8 | Very low | 123 Ų | 123 | 92.8 Ų | 92.8 | 76% | 0.755 | 55% | 0.545 | S | S | * | . | trans | -78.8 | 134.8 | 169.5 | 44.7 | 0 | 0 | 0 | 0 | 109.4 | G213 S232 | G213-T230 CarbonylContact C-O 3.26Å; G213-T230 VanDerWaalsContact C-O 3.26Å; G213-T230 WeakPolarHBondContact CA-O 3.27Å; T230-S232 PolarHBondContact O-N 3.3Å | ||
| 231 | V | 48.3 | Very low | 47.5 | Very low | 67 Ų | 67 | 92.6 Ų | 92.6 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | trans | -61.4 | 131 | 172.1 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | L211 P212 Q214 T233 | L211-V231 HydrophobicContact CB-CG1 4.02Å; L211-V231 HydrophobicContact CB-CG2 3.88Å; L211-V231 HydrophobicContact CD1-CG1 4.32Å; L211-V231 HydrophobicContact CD1-CG2 3.6Å; L211-V231 HydrophobicContact CG-CG2 4.4Å; P212-V231 WeakPolarHBondContact O-CA 3.08Å; Q214-V231 HydrophobicContact CG-CG2 4.24Å; V231-T233 PolarHBondContact O-N 2.77Å; V231-T233 VanDerWaalsContact O-N 3.15Å | ||
| 232 | S | 49.8 | Very low | 49.1 | Very low | 49 Ų | 49 | 87.6 Ų | 87.6 | 34% | 0.343 | 50% | 0.503 | S | S | . | . | trans | -70.7 | 104.8 | 173.6 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | P212 T230 D234 | P212-S232 PolarHBondContact O-N 3.18Å; T230-S232 PolarHBondContact O-N 3.3Å; S232-D234 PolarHBondContact O-N 3.38Å | ||
| 233 | T | 51 | Low | 50.9 | Low | 124 Ų | 124 | 87.5 Ų | 87.5 | 76% | 0.761 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.9 | -177.5 | 45.2 | 0 | 0 | 0 | 0 | 113.8 | V231 I235 | V231-T233 PolarHBondContact O-N 2.77Å; V231-T233 VanDerWaalsContact O-N 3.15Å; T233-I235 VanDerWaalsContact C-N 3.27Å; T233-I235 PolarHBondContact O-N 3.22Å |
| 234 | D | 48.4 | Very low | 52 | Low | 143 Ų | 143 | 86.7 Ų | 86.7 | 77% | 0.765 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 14.4 | -164.8 | -57 | -2.9 | 0 | 0 | 0 | 113.5 | S232 | S232-D234 PolarHBondContact O-N 3.38Š|
| 235 | I | 38.4 | Very low | 52.9 | Low | 80 Ų | 80 | 88.5 Ų | 88.5 | 41% | 0.41 | 49% | 0.494 | S | S | . | . | trans | -125.2 | 98.7 | 179.8 | -36.6 | 172.6 | 0 | 0 | 0 | 110.2 | P212 T233 F237 | P212-I235 HydrophobicContact CB-CD1 4.04Å; T233-I235 VanDerWaalsContact C-N 3.27Å; T233-I235 PolarHBondContact O-N 3.22Å; I235-F237 HydrophobicContact CB-CD2 4.09Å; I235-F237 HydrophobicContact CB-CE2 3.48Å; I235-F237 VanDerWaalsContact CB-CE2 3.48Å; I235-F237 HydrophobicContact CB-CZ 4.08Å; I235-F237 HydrophobicContact CD1-CE2 4.21Å; I235-F237 HydrophobicContact CD1-CZ 4.36Å; I235-F237 HydrophobicContact CG1-CE2 4.45Å; I235-F237 HydrophobicContact CG2-CD2 3.85Å; I235-F237 HydrophobicContact CG2-CE1 4.06Å; I235-F237 HydrophobicContact CG2-CE2 3.22Å; I235-F237 HydrophobicContact CG2-CG 4.49Å; I235-F237 HydrophobicContact CG2-CZ 3.35Å; I235-F237 VanDerWaalsContact O-CD2 3.31Å; I235-F237 WeakPolarHBondContact O-CD2 3.16Å; I235-F237 PolarHBondContact O-N 2.98Å | ||
| 236 | T | 39.3 | Very low | 53.4 | Low | 146 Ų | 146 | 90.3 Ų | 90.3 | 90% | 0.896 | 52% | 0.522 | S | S | * | . | trans | -72.2 | 107.9 | 170 | 50 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 237 | F | 41 | Very low | 54 | Low | 100 Ų | 100 | 89.4 Ų | 89.4 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | trans | -101.9 | 125.9 | 171 | -68.5 | -84.2 | 0 | 0 | 0 | 110.4 | P212 I235 F239 | P212-F237 HydrophobicContact CB-CE2 3.97Å; P212-F237 HydrophobicContact CB-CZ 4.27Å; P212-F237 HydrophobicContact CG-CD2 4.4Å; P212-F237 HydrophobicContact CG-CE2 3.48Å; P212-F237 VanDerWaalsContact CG-CE2 3.48Å; P212-F237 HydrophobicContact CG-CZ 3.68Å; I235-F237 HydrophobicContact CB-CD2 4.09Å; I235-F237 HydrophobicContact CB-CE2 3.48Å; I235-F237 VanDerWaalsContact CB-CE2 3.48Å; I235-F237 HydrophobicContact CB-CZ 4.08Å; I235-F237 HydrophobicContact CD1-CE2 4.21Å; I235-F237 HydrophobicContact CD1-CZ 4.36Å; I235-F237 HydrophobicContact CG1-CE2 4.45Å; I235-F237 HydrophobicContact CG2-CD2 3.85Å; I235-F237 HydrophobicContact CG2-CE1 4.06Å; I235-F237 HydrophobicContact CG2-CE2 3.22Å; I235-F237 HydrophobicContact CG2-CG 4.49Å; I235-F237 HydrophobicContact CG2-CZ 3.35Å; I235-F237 VanDerWaalsContact O-CD2 3.31Å; I235-F237 WeakPolarHBondContact O-CD2 3.16Å; I235-F237 PolarHBondContact O-N 2.98Å; F237-F239 VanDerWaalsContact C-N 3.33Å; F237-F239 HydrophobicContact CB-CD1 4.32Å; F237-F239 HydrophobicContact CB-CD2 3.85Å; F237-F239 HydrophobicContact CB-CE1 3.97Å; F237-F239 HydrophobicContact CB-CE2 3.46Å; F237-F239 VanDerWaalsContact CB-CE2 3.46Å; F237-F239 HydrophobicContact CB-CG 4.27Å; F237-F239 HydrophobicContact CB-CZ 3.52Å; F237-F239 HydrophobicContact CD1-CZ 4.41Å; F237-F239 HydrophobicContact CD2-CE2 4.28Å; F237-F239 HydrophobicContact CD2-CZ 4.01Å; F237-F239 HydrophobicContact CG-CE1 4.27Å; F237-F239 HydrophobicContact CG-CE2 4.1Å; F237-F239 AromaticContact CG-CZ 3.75Å; F237-F239 HydrophobicContact CG-CZ 3.75Å; F237-F239 PolarHBondContact O-N 3.05Å | ||
| 238 | E | 47.7 | Very low | 54.4 | Low | 206 Ų | 206 | 94.6 Ų | 94.6 | 96% | 0.963 | 55% | 0.545 | S | S | * | . | trans | -74.9 | 89 | 161 | -75.3 | -172.5 | 130.2 | 0 | 0 | 109.1 | ||||
| 239 | F | 47.2 | Very low | 55.5 | Low | 68 Ų | 68 | 92.9 Ų | 92.9 | 30% | 0.298 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 136 | 165.1 | -58.1 | -68.5 | 0 | 0 | 0 | 109.8 | F237 S241 H253 N272 | F237-F239 VanDerWaalsContact C-N 3.33Å; F237-F239 HydrophobicContact CB-CD1 4.32Å; F237-F239 HydrophobicContact CB-CD2 3.85Å; F237-F239 HydrophobicContact CB-CE1 3.97Å; F237-F239 HydrophobicContact CB-CE2 3.46Å; F237-F239 VanDerWaalsContact CB-CE2 3.46Å; F237-F239 HydrophobicContact CB-CG 4.27Å; F237-F239 HydrophobicContact CB-CZ 3.52Å; F237-F239 HydrophobicContact CD1-CZ 4.41Å; F237-F239 HydrophobicContact CD2-CE2 4.28Å; F237-F239 HydrophobicContact CD2-CZ 4.01Å; F237-F239 HydrophobicContact CG-CE1 4.27Å; F237-F239 HydrophobicContact CG-CE2 4.1Å; F237-F239 AromaticContact CG-CZ 3.75Å; F237-F239 HydrophobicContact CG-CZ 3.75Å; F237-F239 PolarHBondContact O-N 3.05Å; F239-S241 PolarHBondContact O-N 3.48Å; F239-H253 HydrophobicContact CB-CB 3.34Å; F239-H253 AromaticContact CD1-ND1 3.87Å; F239-H253 HydrophobicContact CD2-CB 4.15Å; F239-H253 HydrophobicContact CG-CB 3.84Å; F239-H253 AromaticContact CG-CG 3.82Å; F239-H253 AromaticContact CG-ND1 3.94Å; F239-N272 WeakPolarHBondContact CD1-OD1 3.01Å |
| 240 | A | 60.2 | Low | 56.2 | Low | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 129.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N272 G273 | A240-N272 CarbonylContact O-C 3.33Å; A240-G273 PolarHBondContact O-N 3.13Å |
| 241 | S | 72 | Confident | 57 | Low | 50 Ų | 50 | 93 Ų | 93 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 151.3 | 174.5 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | F239 Y251 | F239-S241 PolarHBondContact O-N 3.48Å; S241-Y251 CarbonylContact C-O 3.59Å; S241-Y251 WeakPolarHBondContact CA-O 2.98Å; S241-Y251 WeakPolarHBondContact CB-O 3.49Å |
| 242 | C | 70.8 | Confident | 58.1 | Low | 1 Ų | 1 | 92.6 Ų | 92.6 | 1% | 0.007 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.6 | 179.1 | -53.1 | 0 | 0 | 0 | 0 | 111 | Y251 C270 G273 R274 W275 | C242-Y251 PolarHBondContact N-O 3.47Å; C242-Y251 PolarHBondContact O-N 3.32Å; C242-C270 HydrophobicContact CB-CB 3.72Å; C242-C270 WeakPolarHBondContact CB-SG 3.41Å; C242-C270 PolarHBondContact N-SG 3.47Å; C242-C270 WeakPolarHBondContact SG-CA 3.03Å; C242-C270 WeakPolarHBondContact SG-CB 3.45Å; C242-C270 CovalentContact SG-SG 2.03Å; C242-C270 PolarHBondContact SG-SG 3.34Å; C242-G273 VanDerWaalsContact SG-CA 3.53Å; C242-R274 PolarHBondContact SG-N 3.21Å; C242-R274 PolarHBondContact SG-O 3.45Å; C242-R274 VanDerWaalsContact SG-O 3.42Å; C242-W275 HydrophobicContact CB-CD2 4.04Å; C242-W275 HydrophobicContact CB-CH2 4.27Å; C242-W275 HydrophobicContact CB-CZ2 3.65Å |
| 243 | L | 72.6 | Confident | 58.6 | Low | 95 Ų | 95 | 92 Ų | 92 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 133.7 | 170.6 | -166.9 | 75.8 | 0 | 0 | 0 | 109.6 | L250 W275 | L243-L250 HydrophobicContact CD1-CD1 3.75Å; L243-W275 PolarHBondContact O-NE1 3.47Å |
| 244 | K | 65.5 | Low | 58.8 | Low | 57 Ų | 57 | 87.5 Ų | 87.5 | 25% | 0.248 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 135 | 174 | 177.1 | 173 | 178.9 | 179.8 | 0 | 111.2 | G246 V247 T249 Y251 I257 W275 | K244-G246 PolarHBondContact O-N 2.82Å; K244-V247 HydrophobicContact CD-CB 4.39Å; K244-V247 HydrophobicContact CD-CG2 4.29Å; K244-V247 PolarHBondContact O-N 3.4Å; K244-T249 PolarHBondContact N-O 2.88Å; K244-T249 VanDerWaalsContact N-O 3.16Å; K244-Y251 HydrophobicContact CB-CD2 3.96Å; K244-Y251 HydrophobicContact CB-CE2 3.51Å; K244-Y251 HydrophobicContact CD-CE2 3.79Å; K244-Y251 HydrophobicContact CG-CE2 4.26Å; K244-I257 HydrophobicContact CD-CD1 4.37Å; K244-I257 HydrophobicContact CG-CD1 4.39Å; K244-W275 HydrophobicContact CB-CZ2 4.5Å |
| 245 | M | 53.6 | Low | 59.8 | Low | 176 Ų | 176 | 84.3 Ų | 84.3 | 87% | 0.867 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 119.7 | 174.4 | -69.6 | -79.8 | -78.4 | 0 | 0 | 110.1 | ||
| 246 | G | 55.3 | Low | 61 | Low | 87 Ų | 87 | 85.7 Ų | 85.7 | 90% | 0.897 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 1.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | K244 | K244-G246 PolarHBondContact O-N 2.82Š|
| 247 | V | 60.5 | Low | 62.4 | Low | 68 Ų | 68 | 79.4 Ų | 79.4 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 126.1 | 173.5 | -167.1 | 0 | 0 | 0 | 0 | 108.7 | K244 T249 | K244-V247 HydrophobicContact CD-CB 4.39Å; K244-V247 HydrophobicContact CD-CG2 4.29Å; K244-V247 PolarHBondContact O-N 3.4Å; V247-T249 HydrophobicContact CG1-CG2 3.78Å; V247-T249 WeakPolarHBondContact CG1-OG1 2.81Å; V247-T249 PolarHBondContact O-N 3.19Å; V247-T249 PolarHBondContact O-OG1 2.85Å |
| 248 | D | 60.8 | Low | 63.6 | Low | 155 Ų | 155 | 79 Ų | 79 | 83% | 0.829 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 42 | 179.5 | -63 | -36.8 | 0 | 0 | 0 | 113.7 | ||
| 249 | T | 71.4 | Confident | 64.1 | Low | 55 Ų | 55 | 72.2 Ų | 72.2 | 34% | 0.337 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.9 | 176 | 40.3 | 0 | 0 | 0 | 0 | 108.8 | K244 V247 Y251 | K244-T249 PolarHBondContact N-O 2.88Å; K244-T249 VanDerWaalsContact N-O 3.16Å; V247-T249 HydrophobicContact CG1-CG2 3.78Å; V247-T249 WeakPolarHBondContact CG1-OG1 2.81Å; V247-T249 PolarHBondContact O-N 3.19Å; V247-T249 PolarHBondContact O-OG1 2.85Å; T249-Y251 WeakPolarHBondContact O-CD2 3.36Å; T249-Y251 WeakPolarHBondContact OG1-CE2 3.1Å |
| 250 | L | 73.4 | Confident | 64.4 | Low | 119 Ų | 119 | 74.6 Ų | 74.6 | 62% | 0.623 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.2 | 174.1 | -129.5 | 74.1 | 0 | 0 | 0 | 109 | L243 | L243-L250 HydrophobicContact CD1-CD1 3.75Å |
| 251 | Y | 69.3 | Low | 63.7 | Low | 51 Ų | 51 | 73.3 Ų | 73.3 | 20% | 0.2 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.4 | 177.2 | -72.4 | -95.4 | 0 | 0 | 0 | 110.4 | S241 C242 K244 T249 E255 I257 C270 W275 | S241-Y251 CarbonylContact C-O 3.59Å; S241-Y251 WeakPolarHBondContact CA-O 2.98Å; S241-Y251 WeakPolarHBondContact CB-O 3.49Å; C242-Y251 PolarHBondContact N-O 3.47Å; C242-Y251 PolarHBondContact O-N 3.32Å; K244-Y251 HydrophobicContact CB-CD2 3.96Å; K244-Y251 HydrophobicContact CB-CE2 3.51Å; K244-Y251 HydrophobicContact CD-CE2 3.79Å; K244-Y251 HydrophobicContact CG-CE2 4.26Å; T249-Y251 WeakPolarHBondContact O-CD2 3.36Å; T249-Y251 WeakPolarHBondContact OG1-CE2 3.1Å; Y251-E255 WeakPolarHBondContact CA-OE2 3.36Å; Y251-E255 WeakPolarHBondContact CB-OE2 3.15Å; Y251-E255 HydrophobicContact CD1-CB 4.39Å; Y251-E255 VanDerWaalsContact CD1-OE2 3.25Å; Y251-E255 WeakPolarHBondContact CD1-OE2 3.4Å; Y251-I257 HydrophobicContact CD1-CG2 3.58Å; Y251-I257 HydrophobicContact CE1-CG2 3.25Å; Y251-I257 HydrophobicContact CE2-CG2 4.37Å; Y251-I257 HydrophobicContact CG-CG2 4.27Å; Y251-C270 PolarHBondContact O-SG 3.1Å; Y251-W275 HydrophobicContact CD1-CH2 4.11Å; Y251-W275 AromaticContact CD2-CH2 3.88Å; Y251-W275 HydrophobicContact CD2-CH2 3.88Å; Y251-W275 AromaticContact CD2-CZ2 3.73Å; Y251-W275 HydrophobicContact CD2-CZ2 3.73Å; Y251-W275 AromaticContact CG-CH2 3.56Å; Y251-W275 HydrophobicContact CG-CH2 3.56Å; Y251-W275 AromaticContact CG-CZ2 3.87Å; Y251-W275 HydrophobicContact CG-CZ2 3.87Å |
| 252 | S | 72.1 | Confident | 62.4 | Low | 58 Ų | 58 | 75.6 Ų | 75.6 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | trans | -65.8 | 153.8 | -179.7 | -40.8 | 0 | 0 | 0 | 0 | 111.4 | G254 E255 C270 | S252-G254 PolarHBondContact O-N 3.45Å; S252-E255 VanDerWaalsContact CB-CD 3.49Å; S252-E255 WeakPolarHBondContact CB-OE1 3.46Å; S252-E255 PolarHBondContact N-OE1 3.37Å; S252-E255 PolarHBondContact N-OE2 2.82Å; S252-E255 WeakPolarHBondContact O-CB 3.33Å; S252-E255 PolarHBondContact O-N 3.15Å; S252-E255 VanDerWaalsContact O-N 3.09Å; S252-E255 PolarHBondContact OG-OE1 2.84Å; S252-C270 WeakPolarHBondContact O-CB 3.48Å | ||
| 253 | H | 60.1 | Low | 60.8 | Low | 36 Ų | 36 | 76.5 Ų | 76.5 | 17% | 0.167 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 134.6 | 169.8 | 176.6 | 115.6 | 0 | 0 | 0 | 110.8 | F239 E255 N272 | F239-H253 HydrophobicContact CB-CB 3.34Å; F239-H253 AromaticContact CD1-ND1 3.87Å; F239-H253 HydrophobicContact CD2-CB 4.15Å; F239-H253 HydrophobicContact CG-CB 3.84Å; F239-H253 AromaticContact CG-CG 3.82Å; F239-H253 AromaticContact CG-ND1 3.94Å; H253-E255 VanDerWaalsContact C-N 3.3Å; H253-N272 PolarHBondContact CE1-OD1 3.48Å; H253-N272 VanDerWaalsContact CE1-OD1 3.26Å; H253-N272 PolarHBondContact ND1-N 2.99Å; H253-N272 VanDerWaalsContact ND1-N 3.19Å; H253-N272 PolarHBondContact ND1-OD1 2.97Å |
| 254 | G | 55.5 | Low | 59.2 | Low | 30 Ų | 30 | 73.3 Ų | 73.3 | 31% | 0.309 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -19 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | S252 Q269 C270 | S252-G254 PolarHBondContact O-N 3.45Å; G254-Q269 PolarHBondContact O-NE2 2.89Å; G254-C270 PolarHBondContact N-O 2.94Å |
| 255 | E | 69.7 | Low | 58.6 | Low | 75 Ų | 75 | 72.1 Ų | 72.1 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | trans | -63.2 | 142.1 | 176.4 | -73 | 175.9 | -171.6 | 0 | 0 | 111.5 | Y251 S252 H253 Q269 C270 | Y251-E255 WeakPolarHBondContact CA-OE2 3.36Å; Y251-E255 WeakPolarHBondContact CB-OE2 3.15Å; Y251-E255 HydrophobicContact CD1-CB 4.39Å; Y251-E255 VanDerWaalsContact CD1-OE2 3.25Å; Y251-E255 WeakPolarHBondContact CD1-OE2 3.4Å; S252-E255 VanDerWaalsContact CB-CD 3.49Å; S252-E255 WeakPolarHBondContact CB-OE1 3.46Å; S252-E255 PolarHBondContact N-OE1 3.37Å; S252-E255 PolarHBondContact N-OE2 2.82Å; S252-E255 WeakPolarHBondContact O-CB 3.33Å; S252-E255 PolarHBondContact O-N 3.15Å; S252-E255 VanDerWaalsContact O-N 3.09Å; S252-E255 PolarHBondContact OG-OE1 2.84Å; H253-E255 VanDerWaalsContact C-N 3.3Å; E255-Q269 WeakPolarHBondContact O-CA 3.06Å; E255-C270 PolarHBondContact O-N 3.21Å | ||
| 256 | M | 64 | Low | 58.4 | Low | 109 Ų | 109 | 67.2 Ų | 67.2 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.5 | 178.1 | -63.2 | -175.6 | -63.6 | 0 | 0 | 109.9 | K267 C268 Q269 | M256-K267 WeakPolarHBondContact SD-CE 3.46Å; M256-C268 CarbonylContact C-O 3.57Å; M256-C268 VanDerWaalsContact CA-O 3.26Å; M256-C268 WeakPolarHBondContact CA-O 3.34Å; M256-Q269 HydrophobicContact CG-CB 4.04Å; M256-Q269 HydrophobicContact CG-CG 3.87Å |
| 257 | I | 67.3 | Low | 58.7 | Low | 14 Ų | 14 | 67.7 Ų | 67.7 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 147.2 | 167.7 | 65.6 | 176.4 | 0 | 0 | 0 | 109.5 | K244 Y251 L259 C268 W275 | K244-I257 HydrophobicContact CD-CD1 4.37Å; K244-I257 HydrophobicContact CG-CD1 4.39Å; Y251-I257 HydrophobicContact CD1-CG2 3.58Å; Y251-I257 HydrophobicContact CE1-CG2 3.25Å; Y251-I257 HydrophobicContact CE2-CG2 4.37Å; Y251-I257 HydrophobicContact CG-CG2 4.27Å; I257-L259 HydrophobicContact CD1-CD2 3.78Å; I257-L259 HydrophobicContact CD1-CG 4.17Å; I257-L259 HydrophobicContact CG1-CD2 4.46Å; I257-L259 HydrophobicContact CG1-CG 4.46Å; I257-C268 HydrophobicContact CD1-CB 4.38Å; I257-C268 HydrophobicContact CG1-CB 3.78Å; I257-C268 PolarHBondContact N-O 2.88Å; I257-C268 PolarHBondContact O-N 2.86Å; I257-W275 HydrophobicContact CB-CH2 4.47Å; I257-W275 HydrophobicContact CB-CZ3 4.49Å; I257-W275 HydrophobicContact CD1-CD2 4.39Å; I257-W275 HydrophobicContact CD1-CE3 4.2Å; I257-W275 HydrophobicContact CD1-CH2 3.63Å; I257-W275 HydrophobicContact CD1-CZ2 3.84Å; I257-W275 HydrophobicContact CD1-CZ3 3.82Å; I257-W275 HydrophobicContact CG1-CE3 4.22Å; I257-W275 HydrophobicContact CG1-CH2 3.87Å; I257-W275 HydrophobicContact CG1-CZ3 3.67Å; I257-W275 HydrophobicContact CG2-CH2 3.82Å; I257-W275 HydrophobicContact CG2-CZ3 4.22Å |
| 258 | I | 66.3 | Low | 58.8 | Low | 92 Ų | 92 | 64.5 Ų | 64.5 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117.6 | 163.4 | -69.2 | 166.1 | 0 | 0 | 0 | 106.3 | T260 D265 Y280 | I258-T260 HydrophobicContact CG2-CG2 4.02Å; I258-D265 HydrophobicContact CG2-CB 4.4Å; I258-Y280 WeakPolarHBondContact CG2-OH 2.73Å |
| 259 | L | 59.1 | Low | 59.2 | Low | 64 Ų | 64 | 60.9 Ų | 60.9 | 34% | 0.335 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 99.1 | 163.2 | -62.6 | -179.4 | 0 | 0 | 0 | 106.3 | I257 G261 Q266 C268 | I257-L259 HydrophobicContact CD1-CD2 3.78Å; I257-L259 HydrophobicContact CD1-CG 4.17Å; I257-L259 HydrophobicContact CG1-CD2 4.46Å; I257-L259 HydrophobicContact CG1-CG 4.46Å; L259-G261 PolarHBondContact O-N 2.88Å; L259-G261 VanDerWaalsContact O-N 3.11Å; L259-Q266 HydrophobicContact CB-CB 4.09Å; L259-Q266 PolarHBondContact N-O 3.42Å; L259-Q266 PolarHBondContact O-N 2.84Å; L259-C268 VanDerWaalsContact CD1-SG 3.54Å |
| 260 | T | 52.8 | Low | 58.9 | Low | 118 Ų | 118 | 58.3 Ų | 58.3 | 72% | 0.724 | 32% | 0.315 | S | S | * | . | trans | -63.2 | 113 | 175.8 | 50.5 | 0 | 0 | 0 | 0 | 109 | I258 D265 | I258-T260 HydrophobicContact CG2-CG2 4.02Å; T260-D265 VanDerWaalsContact CA-OD1 3.24Å; T260-D265 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 261 | G | 46.5 | Very low | 58.4 | Low | 30 Ų | 30 | 53.8 Ų | 53.8 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | trans | -95.2 | 160.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L259 C263 V264 D265 | L259-G261 PolarHBondContact O-N 2.88Å; L259-G261 VanDerWaalsContact O-N 3.11Å; G261-C263 VanDerWaalsContact C-N 3.27Å; G261-C263 PolarHBondContact O-N 3.44Å; G261-V264 VanDerWaalsContact CA-O 3.27Å; G261-V264 WeakPolarHBondContact CA-O 3.31Å; G261-D265 PolarHBondContact N-OD1 3.3Å | ||
| 262 | I | 42.9 | Very low | 58.2 | Low | 97 Ų | 97 | 55.2 Ų | 55.2 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -64.9 | -36.1 | 177.5 | -59.8 | -172.4 | 0 | 0 | 0 | 111 | R304 Y393 | I262-R304 PolarHBondContact O-NH1 2.9Å; I262-R304 PolarHBondContact O-NH2 2.7Å; I262-Y393 HydrophobicContact CG2-CD1 4.15Å; I262-Y393 HydrophobicContact CG2-CE1 3.39Å |
| 263 | C | 38.3 | Very low | 57.8 | Low | 21 Ų | 21 | 54.2 Ų | 54.2 | 14% | 0.142 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -114.1 | -44.3 | 179.9 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | G261 F300 R304 | G261-C263 VanDerWaalsContact C-N 3.27Å; G261-C263 PolarHBondContact O-N 3.44Å; C263-F300 HydrophobicContact CB-CD2 4.38Å; C263-F300 HydrophobicContact CB-CE2 4.21Å; C263-R304 VanDerWaalsContact CA-CZ 3.48Å; C263-R304 VanDerWaalsContact O-CZ 3.29Å; C263-R304 PolarHBondContact O-NE 3.16Å; C263-R304 PolarHBondContact O-NH2 3.38Å |
| 264 | V | 39.5 | Very low | 57.9 | Low | 27 Ų | 27 | 61.7 Ų | 61.7 | 16% | 0.164 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -131.6 | 128.6 | -173.6 | 175.8 | 0 | 0 | 0 | 0 | 108 | G261 D279 F300 | G261-V264 VanDerWaalsContact CA-O 3.27Å; G261-V264 WeakPolarHBondContact CA-O 3.31Å; V264-D279 HydrophobicContact CG1-CB 3.61Å; V264-F300 HydrophobicContact CG2-CB 4.17Å; V264-F300 HydrophobicContact CG2-CD2 4.02Å; V264-F300 HydrophobicContact CG2-CG 4.08Å |
| 265 | D | 51.4 | Low | 58.5 | Low | 33 Ų | 33 | 63 Ų | 63 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 139.3 | 173.2 | -77.8 | -8.5 | 0 | 0 | 0 | 109.9 | I258 T260 G261 Y280 | I258-D265 HydrophobicContact CG2-CB 4.4Å; T260-D265 VanDerWaalsContact CA-OD1 3.24Å; T260-D265 WeakPolarHBondContact CA-OD1 3.26Å; G261-D265 PolarHBondContact N-OD1 3.3Å; D265-Y280 HydrophobicContact CB-CD1 4.06Å; D265-Y280 HydrophobicContact CB-CD2 4.22Å; D265-Y280 HydrophobicContact CB-CE1 3.43Å; D265-Y280 VanDerWaalsContact CB-CE1 3.43Å; D265-Y280 HydrophobicContact CB-CE2 3.6Å; D265-Y280 HydrophobicContact CB-CG 4.42Å; D265-Y280 VanDerWaalsContact CB-OH 3.22Å; D265-Y280 WeakPolarHBondContact CB-OH 3.31Å; D265-Y280 PolarHBondContact N-O 3.37Å; D265-Y280 WeakPolarHBondContact O-CD1 2.92Å; D265-Y280 PolarHBondContact O-N 3Å; D265-Y280 PolarHBondContact OD2-OH 3.41Å |
| 266 | Q | 50.7 | Low | 57.9 | Low | 73 Ų | 73 | 62.4 Ų | 62.4 | 34% | 0.341 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 115.7 | 174.8 | -84 | -179.7 | -1.8 | 0 | 0 | 110.6 | L259 C268 F278 D279 | L259-Q266 HydrophobicContact CB-CB 4.09Å; L259-Q266 PolarHBondContact N-O 3.42Å; L259-Q266 PolarHBondContact O-N 2.84Å; Q266-C268 PolarHBondContact O-N 3.46Å; Q266-F278 WeakPolarHBondContact CA-O 3.43Å; Q266-D279 WeakPolarHBondContact CG-OD1 3.4Å; Q266-D279 PolarHBondContact NE2-OD1 2.73Å |
| 267 | K | 60.3 | Low | 57.5 | Low | 97 Ų | 97 | 59.8 Ų | 59.8 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 105.3 | 169.8 | -170.1 | 171.2 | 179.2 | 178.2 | 0 | 108.7 | M256 C277 F278 Y280 | M256-K267 WeakPolarHBondContact SD-CE 3.46Å; K267-C277 WeakPolarHBondContact O-CA 3.32Å; K267-F278 PolarHBondContact N-O 3.32Å; K267-F278 PolarHBondContact O-N 3.41Å; K267-Y280 HydrophobicContact CB-CD1 3.76Å; K267-Y280 HydrophobicContact CB-CE1 3.69Å |
| 268 | C | 64.2 | Low | 56.6 | Low | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | M256 I257 L259 Q266 W275 N276 C277 | M256-C268 CarbonylContact C-O 3.57Å; M256-C268 VanDerWaalsContact CA-O 3.26Å; M256-C268 WeakPolarHBondContact CA-O 3.34Å; I257-C268 HydrophobicContact CD1-CB 4.38Å; I257-C268 HydrophobicContact CG1-CB 3.78Å; I257-C268 PolarHBondContact N-O 2.88Å; I257-C268 PolarHBondContact O-N 2.86Å; L259-C268 VanDerWaalsContact CD1-SG 3.54Å; Q266-C268 PolarHBondContact O-N 3.46Å; C268-W275 HydrophobicContact CB-CD2 4.45Å; C268-W275 HydrophobicContact CB-CE3 3.76Å; C268-W275 HydrophobicContact CB-CZ3 4.35Å; C268-N276 CarbonylContact C-O 3.51Å; C268-N276 VanDerWaalsContact CA-O 3.32Å; C268-N276 WeakPolarHBondContact CA-O 3.2Å; C268-C277 HydrophobicContact CB-CB 4.08Å; C268-C277 WeakPolarHBondContact CB-SG 3.18Å; C268-C277 WeakPolarHBondContact SG-CB 3.07Å; C268-C277 CovalentContact SG-SG 2.04Å; C268-C277 PolarHBondContact SG-SG 3.37Å |
| 269 | Q | 67.8 | Low | 55.7 | Low | 79 Ų | 79 | 67 Ų | 67 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.5 | 170.1 | -170.2 | 170.8 | 28.3 | 0 | 0 | 110.3 | G254 E255 M256 V271 N276 | G254-Q269 PolarHBondContact O-NE2 2.89Å; E255-Q269 WeakPolarHBondContact O-CA 3.06Å; M256-Q269 HydrophobicContact CG-CB 4.04Å; M256-Q269 HydrophobicContact CG-CG 3.87Å; Q269-V271 HydrophobicContact CG-CG2 4.26Å; Q269-N276 PolarHBondContact N-O 3.33Å; Q269-N276 PolarHBondContact O-N 3.16Å |
| 270 | C | 65 | Low | 55.1 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 120.9 | 171.2 | 177.3 | 0 | 0 | 0 | 0 | 110 | C242 Y251 S252 G254 E255 W275 | C242-C270 HydrophobicContact CB-CB 3.72Å; C242-C270 WeakPolarHBondContact CB-SG 3.41Å; C242-C270 PolarHBondContact N-SG 3.47Å; C242-C270 WeakPolarHBondContact SG-CA 3.03Å; C242-C270 WeakPolarHBondContact SG-CB 3.45Å; C242-C270 CovalentContact SG-SG 2.03Å; C242-C270 PolarHBondContact SG-SG 3.34Å; Y251-C270 PolarHBondContact O-SG 3.1Å; S252-C270 WeakPolarHBondContact O-CB 3.48Å; G254-C270 PolarHBondContact N-O 2.94Å; E255-C270 PolarHBondContact O-N 3.21Å; C270-W275 HydrophobicContact CB-CE3 4.15Å; C270-W275 HydrophobicContact CB-CH2 4.1Å; C270-W275 HydrophobicContact CB-CZ3 3.78Å |
| 271 | V | 62.7 | Low | 55 | Low | 24 Ų | 24 | 64 Ų | 64 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 103.5 | 176.6 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | Q269 G273 R274 | Q269-V271 HydrophobicContact CG-CG2 4.26Å; V271-G273 PolarHBondContact O-N 3.43Å; V271-R274 PolarHBondContact N-O 2.85Å; V271-R274 PolarHBondContact O-N 2.85Å |
| 272 | N | 65.3 | Low | 55.3 | Low | 82 Ų | 82 | 65 Ų | 65 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 57.2 | 178.4 | -70.4 | -14.1 | 0 | 0 | 0 | 113.5 | F239 A240 H253 R274 | F239-N272 WeakPolarHBondContact CD1-OD1 3.01Å; A240-N272 CarbonylContact O-C 3.33Å; H253-N272 PolarHBondContact CE1-OD1 3.48Å; H253-N272 VanDerWaalsContact CE1-OD1 3.26Å; H253-N272 PolarHBondContact ND1-N 2.99Å; H253-N272 VanDerWaalsContact ND1-N 3.19Å; H253-N272 PolarHBondContact ND1-OD1 2.97Å; N272-R274 PolarHBondContact O-N 2.87Å |
| 273 | G | 64.4 | Low | 55.6 | Low | 36 Ų | 36 | 63.1 Ų | 63.1 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 5.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A240 C242 V271 | A240-G273 PolarHBondContact O-N 3.13Å; C242-G273 VanDerWaalsContact SG-CA 3.53Å; V271-G273 PolarHBondContact O-N 3.43Å |
| 274 | R | 62.7 | Low | 56.1 | Low | 193 Ų | 193 | 66.4 Ų | 66.4 | 73% | 0.728 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141.7 | 175.1 | -63.8 | -174.6 | 176.9 | -166.7 | -1.4 | 111.8 | C242 V271 N272 | C242-R274 PolarHBondContact SG-N 3.21Å; C242-R274 PolarHBondContact SG-O 3.45Å; C242-R274 VanDerWaalsContact SG-O 3.42Å; V271-R274 PolarHBondContact N-O 2.85Å; V271-R274 PolarHBondContact O-N 2.85Å; N272-R274 PolarHBondContact O-N 2.87Å |
| 275 | W | 68.7 | Low | 56.7 | Low | 59 Ų | 59 | 70.5 Ų | 70.5 | 22% | 0.223 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 123.5 | 172.1 | -69.4 | 111.6 | 0 | 0 | 0 | 111 | C242 L243 K244 Y251 I257 C268 C270 | C242-W275 HydrophobicContact CB-CD2 4.04Å; C242-W275 HydrophobicContact CB-CH2 4.27Å; C242-W275 HydrophobicContact CB-CZ2 3.65Å; L243-W275 PolarHBondContact O-NE1 3.47Å; K244-W275 HydrophobicContact CB-CZ2 4.5Å; Y251-W275 HydrophobicContact CD1-CH2 4.11Å; Y251-W275 AromaticContact CD2-CH2 3.88Å; Y251-W275 HydrophobicContact CD2-CH2 3.88Å; Y251-W275 AromaticContact CD2-CZ2 3.73Å; Y251-W275 HydrophobicContact CD2-CZ2 3.73Å; Y251-W275 AromaticContact CG-CH2 3.56Å; Y251-W275 HydrophobicContact CG-CH2 3.56Å; Y251-W275 AromaticContact CG-CZ2 3.87Å; Y251-W275 HydrophobicContact CG-CZ2 3.87Å; I257-W275 HydrophobicContact CB-CH2 4.47Å; I257-W275 HydrophobicContact CB-CZ3 4.49Å; I257-W275 HydrophobicContact CD1-CD2 4.39Å; I257-W275 HydrophobicContact CD1-CE3 4.2Å; I257-W275 HydrophobicContact CD1-CH2 3.63Å; I257-W275 HydrophobicContact CD1-CZ2 3.84Å; I257-W275 HydrophobicContact CD1-CZ3 3.82Å; I257-W275 HydrophobicContact CG1-CE3 4.22Å; I257-W275 HydrophobicContact CG1-CH2 3.87Å; I257-W275 HydrophobicContact CG1-CZ3 3.67Å; I257-W275 HydrophobicContact CG2-CH2 3.82Å; I257-W275 HydrophobicContact CG2-CZ3 4.22Å; C268-W275 HydrophobicContact CB-CD2 4.45Å; C268-W275 HydrophobicContact CB-CE3 3.76Å; C268-W275 HydrophobicContact CB-CZ3 4.35Å; C270-W275 HydrophobicContact CB-CE3 4.15Å; C270-W275 HydrophobicContact CB-CH2 4.1Å; C270-W275 HydrophobicContact CB-CZ3 3.78Å |
| 276 | N | 55.8 | Low | 56.8 | Low | 62 Ų | 62 | 75.4 Ų | 75.4 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 109.1 | 167.5 | -73.7 | -21.9 | 0 | 0 | 0 | 108.5 | C268 Q269 | C268-N276 CarbonylContact C-O 3.51Å; C268-N276 VanDerWaalsContact CA-O 3.32Å; C268-N276 WeakPolarHBondContact CA-O 3.2Å; Q269-N276 PolarHBondContact N-O 3.33Å; Q269-N276 PolarHBondContact O-N 3.16Å |
| 277 | C | 55.6 | Low | 57.2 | Low | 54 Ų | 54 | 73.5 Ų | 73.5 | 37% | 0.365 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142.1 | -175.1 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | K267 C268 | K267-C277 WeakPolarHBondContact O-CA 3.32Å; C268-C277 HydrophobicContact CB-CB 4.08Å; C268-C277 WeakPolarHBondContact CB-SG 3.18Å; C268-C277 WeakPolarHBondContact SG-CB 3.07Å; C268-C277 CovalentContact SG-SG 2.04Å; C268-C277 PolarHBondContact SG-SG 3.37Å |
| 278 | F | 48.7 | Very low | 57 | Low | 146 Ų | 146 | 74.6 Ų | 74.6 | 64% | 0.64 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.7 | 173 | -61.4 | -81.8 | 0 | 0 | 0 | 110.6 | Q266 K267 | Q266-F278 WeakPolarHBondContact CA-O 3.43Å; K267-F278 PolarHBondContact N-O 3.32Å; K267-F278 PolarHBondContact O-N 3.41Å |
| 279 | D | 47.5 | Very low | 56.8 | Low | 110 Ų | 110 | 76 Ų | 76 | 59% | 0.588 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 130.6 | 171.5 | -71.7 | -25.3 | 0 | 0 | 0 | 110.6 | V264 Q266 | V264-D279 HydrophobicContact CG1-CB 3.61Å; Q266-D279 WeakPolarHBondContact CG-OD1 3.4Å; Q266-D279 PolarHBondContact NE2-OD1 2.73Å |
| 280 | Y | 47.1 | Very low | 56.4 | Low | 70 Ų | 70 | 75.7 Ų | 75.7 | 28% | 0.275 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 142.7 | 172.1 | 72.2 | -90.9 | 0 | 0 | 0 | 112.9 | I258 D265 K267 | I258-Y280 WeakPolarHBondContact CG2-OH 2.73Å; D265-Y280 HydrophobicContact CB-CD1 4.06Å; D265-Y280 HydrophobicContact CB-CD2 4.22Å; D265-Y280 HydrophobicContact CB-CE1 3.43Å; D265-Y280 VanDerWaalsContact CB-CE1 3.43Å; D265-Y280 HydrophobicContact CB-CE2 3.6Å; D265-Y280 HydrophobicContact CB-CG 4.42Å; D265-Y280 VanDerWaalsContact CB-OH 3.22Å; D265-Y280 WeakPolarHBondContact CB-OH 3.31Å; D265-Y280 PolarHBondContact N-O 3.37Å; D265-Y280 WeakPolarHBondContact O-CD1 2.92Å; D265-Y280 PolarHBondContact O-N 3Å; D265-Y280 PolarHBondContact OD2-OH 3.41Å; K267-Y280 HydrophobicContact CB-CD1 3.76Å; K267-Y280 HydrophobicContact CB-CE1 3.69Å |
| 281 | C | 50.2 | Low | 55.9 | Low | 50 Ų | 50 | 81.2 Ų | 81.2 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 144.5 | 168.9 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | C302 | C281-C302 WeakPolarHBondContact CA-SG 3.38Å; C281-C302 HydrophobicContact CB-CB 3.59Å; C281-C302 WeakPolarHBondContact CB-SG 3.46Å; C281-C302 WeakPolarHBondContact SG-CA 3.46Å; C281-C302 WeakPolarHBondContact SG-CB 3.49Å; C281-C302 CovalentContact SG-SG 2.04Å; C281-C302 PolarHBondContact SG-SG 2.99Å |
| 282 | T | 52.9 | Low | 55.5 | Low | 52 Ų | 52 | 87.4 Ų | 87.4 | 32% | 0.319 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 130.4 | 170.4 | -48.1 | 0 | 0 | 0 | 0 | 110.4 | E286 L287 | T282-E286 HydrophobicContact CG2-CB 4.06Å; T282-L287 HydrophobicContact CG2-CD1 4.31Å; T282-L287 HydrophobicContact CG2-CG 4.07Å |
| 283 | P | 49.5 | Very low | 55.1 | Low | 56 Ų | 56 | 85.7 Ų | 85.7 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 141.3 | 174.5 | -23.4 | 33.9 | 0 | 0 | 0 | 111.8 | S285 E286 L287 | P283-S285 PolarHBondContact O-N 3Å; P283-E286 HydrophobicContact CB-CG 4.33Å; P283-E286 WeakPolarHBondContact CD-OE2 3.19Å; P283-E286 HydrophobicContact CG-CG 4.42Å; P283-E286 PolarHBondContact O-N 2.86Å; P283-L287 PolarHBondContact O-N 2.04Å |
| 284 | L | 48.5 | Very low | 54.8 | Low | 90 Ų | 90 | 89.3 Ų | 89.3 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.3 | -179.3 | -130.4 | 139.7 | 0 | 0 | 0 | 113.7 | I295 W297 P303 | L284-I295 HydrophobicContact CD2-CD1 3.62Å; L284-I295 HydrophobicContact CG-CD1 4.42Å; L284-W297 HydrophobicContact CD1-CH2 3.71Å; L284-W297 HydrophobicContact CD1-CZ2 3.42Å; L284-W297 VanDerWaalsContact CD1-CZ2 3.42Å; L284-P303 HydrophobicContact CD1-CB 3.93Å; L284-P303 HydrophobicContact CD1-CG 4.05Å; L284-P303 HydrophobicContact CG-CB 4.13Å; L284-P303 HydrophobicContact CG-CG 4.19Å |
| 285 | S | 51.7 | Low | 54.6 | Low | 113 Ų | 113 | 82.9 Ų | 82.9 | 79% | 0.79 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16.6 | 174.3 | 51.6 | 0 | 0 | 0 | 0 | 115 | P283 | P283-S285 PolarHBondContact O-N 3Š|
| 286 | E | 54.3 | Low | 53.7 | Low | 137 Ų | 137 | 81.3 Ų | 81.3 | 64% | 0.64 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -10 | 179.7 | -66.3 | 176.1 | -167.3 | 0 | 0 | 112 | T282 P283 S288 | T282-E286 HydrophobicContact CG2-CB 4.06Å; P283-E286 HydrophobicContact CB-CG 4.33Å; P283-E286 WeakPolarHBondContact CD-OE2 3.19Å; P283-E286 HydrophobicContact CG-CG 4.42Å; P283-E286 PolarHBondContact O-N 2.86Å; E286-S288 PolarHBondContact O-N 3.36Å; E286-S288 VanDerWaalsContact O-N 3.08Å |
| 287 | L | 58.6 | Low | 53.4 | Low | 33 Ų | 33 | 85.6 Ų | 85.6 | 17% | 0.173 | 47% | 0.471 | C | S | . | . | trans | -74.3 | 92.1 | 171.1 | -84.3 | 136.4 | 0 | 0 | 0 | 110.9 | T282 P283 C289 P303 | T282-L287 HydrophobicContact CG2-CD1 4.31Å; T282-L287 HydrophobicContact CG2-CG 4.07Å; P283-L287 PolarHBondContact O-N 2.04Å; L287-C289 PolarHBondContact O-N 2.88Å; L287-P303 HydrophobicContact CD1-CB 3.88Å; L287-P303 HydrophobicContact CD1-CG 3.64Å; L287-P303 WeakPolarHBondContact CD1-O 3.27Å | ||
| 288 | S | 56.7 | Low | 52.9 | Low | 119 Ų | 119 | 83.9 Ų | 83.9 | 83% | 0.832 | 46% | 0.458 | S | S | * | . | trans | -76 | 65.4 | 171.8 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | E286 | E286-S288 PolarHBondContact O-N 3.36Å; E286-S288 VanDerWaalsContact O-N 3.08Å | ||
| 289 | C | 59.4 | Low | 52.6 | Low | 32 Ų | 32 | 80.2 Ų | 80.2 | 22% | 0.216 | 45% | 0.449 | C | S | . | . | trans | -74.3 | 142.5 | 170.4 | -47.4 | 0 | 0 | 0 | 0 | 110.2 | L287 E293 C305 | L287-C289 PolarHBondContact O-N 2.88Å; C289-E293 HydrophobicContact CB-CB 4.25Å; C289-C305 WeakPolarHBondContact CA-SG 3.43Å; C289-C305 HydrophobicContact CB-CB 3.83Å; C289-C305 WeakPolarHBondContact CB-SG 3.15Å; C289-C305 WeakPolarHBondContact SG-CB 3.47Å; C289-C305 CovalentContact SG-SG 2.04Å; C289-C305 PolarHBondContact SG-SG 3.17Å | ||
| 290 | P | 59.3 | Low | 52.5 | Low | 71 Ų | 71 | 78.8 Ų | 78.8 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | trans | -55.2 | 156 | 164.6 | -24.4 | 34.4 | 0 | 0 | 0 | 112.2 | D292 E293 | P290-D292 PolarHBondContact O-N 2.65Å; P290-E293 HydrophobicContact CB-CG 4.26Å; P290-E293 WeakPolarHBondContact CD-OE1 3.43Å; P290-E293 HydrophobicContact CG-CG 4.14Å; P290-E293 WeakPolarHBondContact CG-OE1 3.3Å; P290-E293 PolarHBondContact O-N 3.49Å; P290-E293 VanDerWaalsContact O-N 3.11Å | ||
| 291 | S | 54.3 | Low | 52.4 | Low | 117 Ų | 117 | 79.8 Ų | 79.8 | 82% | 0.818 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.7 | -179.5 | 48.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 292 | D | 54 | Low | 52.4 | Low | 154 Ų | 154 | 77.6 Ų | 77.6 | 82% | 0.824 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -6.8 | -171.2 | -52.5 | -1.2 | 0 | 0 | 0 | 111.1 | P290 | P290-D292 PolarHBondContact O-N 2.65Š|
| 293 | E | 58.3 | Low | 52.3 | Low | 45 Ų | 45 | 75.6 Ų | 75.6 | 21% | 0.21 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -91 | 127 | 177.7 | -74 | -166.9 | -147.8 | 0 | 0 | 112.1 | C289 P290 C305 G307 | C289-E293 HydrophobicContact CB-CB 4.25Å; P290-E293 HydrophobicContact CB-CG 4.26Å; P290-E293 WeakPolarHBondContact CD-OE1 3.43Å; P290-E293 HydrophobicContact CG-CG 4.14Å; P290-E293 WeakPolarHBondContact CG-OE1 3.3Å; P290-E293 PolarHBondContact O-N 3.49Å; P290-E293 VanDerWaalsContact O-N 3.11Å; E293-C305 WeakPolarHBondContact OE2-CB 3.5Å; E293-G307 VanDerWaalsContact CD-CA 3.44Å; E293-G307 VanDerWaalsContact OE2-CA 3.26Å; E293-G307 WeakPolarHBondContact OE2-CA 3.42Å; E293-G307 PolarHBondContact OE2-N 2.81Å |
| 294 | M | 56.9 | Low | 52.6 | Low | 112 Ų | 112 | 75.6 Ų | 75.6 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 138.3 | 172.3 | -173.3 | 177.6 | 179.9 | 0 | 0 | 110.7 | I296 R306 | M294-I296 HydrophobicContact CG-CG1 4.45Å; M294-R306 HydrophobicContact CB-CB 4.23Å; M294-R306 WeakPolarHBondContact O-CB 3.21Å; M294-R306 PolarHBondContact O-N 3.02Å |
| 295 | I | 57.7 | Low | 53.4 | Low | 58 Ų | 58 | 73.1 Ų | 73.1 | 30% | 0.297 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124.4 | 166.3 | -60.5 | 176.7 | 0 | 0 | 0 | 108.5 | L284 P303 R304 | L284-I295 HydrophobicContact CD2-CD1 3.62Å; L284-I295 HydrophobicContact CG-CD1 4.42Å; I295-P303 HydrophobicContact CG2-CB 3.77Å; I295-R304 CarbonylContact C-O 3.26Å; I295-R304 WeakPolarHBondContact CA-O 3.08Å |
| 296 | I | 51.3 | Low | 53.9 | Low | 26 Ų | 26 | 71.4 Ų | 71.4 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.5 | 176.8 | -62.2 | 178.5 | 0 | 0 | 0 | 108.1 | M294 R304 R306 L388 | M294-I296 HydrophobicContact CG-CG1 4.45Å; I296-R304 PolarHBondContact N-O 2.03Å; I296-R304 PolarHBondContact O-N 3.45Å; I296-R306 HydrophobicContact CD1-CB 3.71Å; I296-R306 HydrophobicContact CD1-CG 3.69Å; I296-R306 HydrophobicContact CG1-CB 4.16Å; I296-L388 HydrophobicContact CB-CD2 4.5Å; I296-L388 HydrophobicContact CD1-CD2 4.07Å |
| 297 | W | 49.8 | Very low | 54.4 | Low | 152 Ų | 152 | 65.1 Ų | 65.1 | 58% | 0.576 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123.1 | 170.8 | -66.3 | 85.1 | 0 | 0 | 0 | 108.7 | L284 C301 P303 | L284-W297 HydrophobicContact CD1-CH2 3.71Å; L284-W297 HydrophobicContact CD1-CZ2 3.42Å; L284-W297 VanDerWaalsContact CD1-CZ2 3.42Å; W297-C301 VanDerWaalsContact CE3-O 3.25Å; W297-C301 WeakPolarHBondContact CZ3-O 3.03Å; W297-P303 HydrophobicContact CD2-CB 4.29Å; W297-P303 HydrophobicContact CE3-CB 4.18Å; W297-P303 HydrophobicContact CE3-CG 4.48Å; W297-P303 HydrophobicContact CH2-CB 4.2Å; W297-P303 HydrophobicContact CH2-CG 4.16Å; W297-P303 HydrophobicContact CZ2-CB 4.29Å; W297-P303 HydrophobicContact CZ3-CB 4.14Å; W297-P303 HydrophobicContact CZ3-CG 4.04Å |
| 298 | D | 44.8 | Very low | 54.9 | Low | 18 Ų | 18 | 69.3 Ų | 69.3 | 10% | 0.096 | 38% | 0.381 | C | S | . | . | trans | -76.5 | 171 | 175.7 | 84.2 | -0.4 | 0 | 0 | 0 | 111.5 | F300 C301 C302 R304 | D298-F300 PolarHBondContact O-N 3.42Å; D298-F300 WeakPolarHBondContact OD1-CA 3.01Å; D298-F300 WeakPolarHBondContact OD1-CB 3.35Å; D298-F300 PolarHBondContact OD1-N 2.87Å; D298-C301 PolarHBondContact O-N 2.82Å; D298-C301 PolarHBondContact OD1-N 2.92Å; D298-C302 PolarHBondContact N-O 2.82Å; D298-C302 WeakPolarHBondContact OD1-CB 3.08Å; D298-C302 PolarHBondContact OD1-N 2.82Å; D298-R304 IonicContact OD2-NE 3.8Å | ||
| 299 | P | 42.9 | Very low | 55.6 | Low | 70 Ų | 70 | 68.6 Ų | 68.6 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15 | 179.8 | -28.2 | 38.7 | 0 | 0 | 0 | 115.5 | C301 F386 P395 | P299-C301 VanDerWaalsContact C-N 3.3Å; P299-F386 HydrophobicContact CG-CE2 4.04Å; P299-P395 HydrophobicContact CB-CB 3.99Å; P299-P395 HydrophobicContact CG-CB 4Å; P299-P395 HydrophobicContact CG-CG 4.41Å |
| 300 | F | 43.4 | Very low | 56.4 | Low | 79 Ų | 79 | 69.9 Ų | 69.9 | 35% | 0.346 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 7.5 | 175 | -55 | -72.9 | 0 | 0 | 0 | 112.6 | C263 V264 D298 C302 R396 | C263-F300 HydrophobicContact CB-CD2 4.38Å; C263-F300 HydrophobicContact CB-CE2 4.21Å; V264-F300 HydrophobicContact CG2-CB 4.17Å; V264-F300 HydrophobicContact CG2-CD2 4.02Å; V264-F300 HydrophobicContact CG2-CG 4.08Å; D298-F300 PolarHBondContact O-N 3.42Å; D298-F300 WeakPolarHBondContact OD1-CA 3.01Å; D298-F300 WeakPolarHBondContact OD1-CB 3.35Å; D298-F300 PolarHBondContact OD1-N 2.87Å; F300-C302 PolarHBondContact O-N 2.87Å; F300-R396 HydrophobicContact CZ-CB 4.35Å; F300-R396 WeakPolarHBondContact CZ-O 3.38Å |
| 301 | C | 45.3 | Very low | 57.2 | Low | 92 Ų | 92 | 66.5 Ų | 66.5 | 62% | 0.622 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 58.7 | 31.7 | -169.6 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | W297 D298 P299 | W297-C301 VanDerWaalsContact CE3-O 3.25Å; W297-C301 WeakPolarHBondContact CZ3-O 3.03Å; D298-C301 PolarHBondContact O-N 2.82Å; D298-C301 PolarHBondContact OD1-N 2.92Å; P299-C301 VanDerWaalsContact C-N 3.3Å |
| 302 | C | 50.1 | Low | 58.1 | Low | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | trans | -93.2 | 128.6 | 169 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | C281 D298 F300 | C281-C302 WeakPolarHBondContact CA-SG 3.38Å; C281-C302 HydrophobicContact CB-CB 3.59Å; C281-C302 WeakPolarHBondContact CB-SG 3.46Å; C281-C302 WeakPolarHBondContact SG-CA 3.46Å; C281-C302 WeakPolarHBondContact SG-CB 3.49Å; C281-C302 CovalentContact SG-SG 2.04Å; C281-C302 PolarHBondContact SG-SG 2.99Å; D298-C302 PolarHBondContact N-O 2.82Å; D298-C302 WeakPolarHBondContact OD1-CB 3.08Å; D298-C302 PolarHBondContact OD1-N 2.82Å; F300-C302 PolarHBondContact O-N 2.87Å | ||
| 303 | P | 51.4 | Low | 58.8 | Low | 10 Ų | 10 | 57.8 Ų | 57.8 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 137 | 173.8 | 29.2 | -29.9 | 0 | 0 | 0 | 110.1 | L284 L287 I295 W297 | L284-P303 HydrophobicContact CD1-CB 3.93Å; L284-P303 HydrophobicContact CD1-CG 4.05Å; L284-P303 HydrophobicContact CG-CB 4.13Å; L284-P303 HydrophobicContact CG-CG 4.19Å; L287-P303 HydrophobicContact CD1-CB 3.88Å; L287-P303 HydrophobicContact CD1-CG 3.64Å; L287-P303 WeakPolarHBondContact CD1-O 3.27Å; I295-P303 HydrophobicContact CG2-CB 3.77Å; W297-P303 HydrophobicContact CD2-CB 4.29Å; W297-P303 HydrophobicContact CE3-CB 4.18Å; W297-P303 HydrophobicContact CE3-CG 4.48Å; W297-P303 HydrophobicContact CH2-CB 4.2Å; W297-P303 HydrophobicContact CH2-CG 4.16Å; W297-P303 HydrophobicContact CZ2-CB 4.29Å; W297-P303 HydrophobicContact CZ3-CB 4.14Å; W297-P303 HydrophobicContact CZ3-CG 4.04Å |
| 304 | R | 56.8 | Low | 59.1 | Low | 56 Ų | 56 | 59.8 Ų | 59.8 | 21% | 0.211 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 148.4 | -178.3 | -68.8 | -172 | 150.3 | -115.7 | -27 | 110.8 | I262 C263 I295 I296 D298 | I262-R304 PolarHBondContact O-NH1 2.9Å; I262-R304 PolarHBondContact O-NH2 2.7Å; C263-R304 VanDerWaalsContact CA-CZ 3.48Å; C263-R304 VanDerWaalsContact O-CZ 3.29Å; C263-R304 PolarHBondContact O-NE 3.16Å; C263-R304 PolarHBondContact O-NH2 3.38Å; I295-R304 CarbonylContact C-O 3.26Å; I295-R304 WeakPolarHBondContact CA-O 3.08Å; I296-R304 PolarHBondContact N-O 2.03Å; I296-R304 PolarHBondContact O-N 3.45Å; D298-R304 IonicContact OD2-NE 3.8Å |
| 305 | C | 63.6 | Low | 59.3 | Low | 37 Ų | 37 | 55.7 Ų | 55.7 | 25% | 0.25 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 139.2 | 171.1 | -42.9 | 0 | 0 | 0 | 0 | 110.1 | C289 E293 G307 | C289-C305 WeakPolarHBondContact CA-SG 3.43Å; C289-C305 HydrophobicContact CB-CB 3.83Å; C289-C305 WeakPolarHBondContact CB-SG 3.15Å; C289-C305 WeakPolarHBondContact SG-CB 3.47Å; C289-C305 CovalentContact SG-SG 2.04Å; C289-C305 PolarHBondContact SG-SG 3.17Å; E293-C305 WeakPolarHBondContact OE2-CB 3.5Å; C305-G307 VanDerWaalsContact C-N 3.35Å; C305-G307 PolarHBondContact O-N 3.15Å |
| 306 | R | 63 | Low | 59.2 | Low | 77 Ų | 77 | 54.8 Ų | 54.8 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | trans | -66.5 | -30.6 | -178.4 | 176.1 | 176.3 | 179.6 | -177 | 0.1 | 113.8 | M294 I296 P374 N389 | M294-R306 HydrophobicContact CB-CB 4.23Å; M294-R306 WeakPolarHBondContact O-CB 3.21Å; M294-R306 PolarHBondContact O-N 3.02Å; I296-R306 HydrophobicContact CD1-CB 3.71Å; I296-R306 HydrophobicContact CD1-CG 3.69Å; I296-R306 HydrophobicContact CG1-CB 4.16Å; R306-P374 HydrophobicContact CG-CB 3.57Å; R306-P374 VanDerWaalsContact NE-C 3.25Å; R306-P374 PolarHBondContact NE-O 3.11Å; R306-P374 PolarHBondContact NH2-O 2.8Å; R306-N389 PolarHBondContact O-N 3.29Å; R306-N389 VanDerWaalsContact O-N 3.11Å | ||
| 307 | G | 65.6 | Low | 59.1 | Low | 6 Ų | 6 | 56.6 Ų | 56.6 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | trans | 71.9 | 167.5 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E293 C305 P374 | E293-G307 VanDerWaalsContact CD-CA 3.44Å; E293-G307 VanDerWaalsContact OE2-CA 3.26Å; E293-G307 WeakPolarHBondContact OE2-CA 3.42Å; E293-G307 PolarHBondContact OE2-N 2.81Å; C305-G307 VanDerWaalsContact C-N 3.35Å; C305-G307 PolarHBondContact O-N 3.15Å; G307-P374 VanDerWaalsContact O-CB 3.29Å; G307-P374 WeakPolarHBondContact O-CB 3.31Å | ||
| 308 | D | 67.7 | Low | 58.9 | Low | 121 Ų | 121 | 57.4 Ų | 57.4 | 65% | 0.647 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -98.5 | -22 | 175.4 | 63 | -27.5 | 0 | 0 | 0 | 113.2 | P374 | D308-P374 VanDerWaalsContact C-CG 3.49Å; D308-P374 VanDerWaalsContact O-CG 3.3Å; D308-P374 WeakPolarHBondContact O-CG 3.23Å |
| 309 | Q | 72.8 | Confident | 58.6 | Low | 104 Ų | 104 | 61.1 Ų | 61.1 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 126.5 | -173.1 | -55 | -179.8 | 29.1 | 0 | 0 | 114.3 | A390 | Q309-A390 HydrophobicContact CB-CB 3.77Å; Q309-A390 PolarHBondContact O-N 3.01Å |
| 310 | T | 75.9 | Confident | 58.4 | Low | 58 Ų | 58 | 61.7 Ų | 61.7 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 146.3 | 173.8 | 57 | 0 | 0 | 0 | 0 | 112.4 | T371 I372 | T310-T371 HydrophobicContact CG2-CG2 4.14Å; T310-I372 CarbonylContact C-O 3.57Å; T310-I372 WeakPolarHBondContact CA-O 3.45Å; T310-I372 WeakPolarHBondContact CB-O 3.05Å |
| 311 | C | 75.6 | Confident | 58.2 | Low | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 151.1 | 172.3 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | T371 I372 C387 S391 I392 | C311-T371 CarbonylContact O-C 3.55Å; C311-T371 WeakPolarHBondContact O-CA 3.34Å; C311-I372 HydrophobicContact CB-CB 4.47Å; C311-I372 PolarHBondContact N-O 2.96Å; C311-I372 PolarHBondContact O-N 2.9Å; C311-C387 HydrophobicContact CB-CB 3.82Å; C311-C387 WeakPolarHBondContact CB-SG 3.5Å; C311-C387 PolarHBondContact N-SG 2.91Å; C311-C387 WeakPolarHBondContact SG-CA 3.34Å; C311-C387 WeakPolarHBondContact SG-CB 3.33Å; C311-C387 CovalentContact SG-SG 2.03Å; C311-C387 PolarHBondContact SG-SG 3.28Å; C311-S391 VanDerWaalsContact SG-C 3.54Å; C311-S391 PolarHBondContact SG-N 2.05Å; C311-S391 VanDerWaalsContact SG-N 3.42Å; C311-S391 PolarHBondContact SG-O 2.97Å; C311-S391 VanDerWaalsContact SG-O 3.38Å; C311-I392 HydrophobicContact CB-CD1 4.47Å; C311-I392 HydrophobicContact CB-CG1 3.92Å |
| 312 | S | 73.4 | Confident | 57.5 | Low | 73 Ų | 73 | 65.9 Ų | 65.9 | 51% | 0.51 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.6 | 171.9 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | I370 | S312-I370 WeakPolarHBondContact CA-O 2.91Å |
| 313 | V | 68.2 | Low | 56.7 | Low | 15 Ų | 15 | 71 Ų | 71 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.3 | -179.8 | -159.4 | 0 | 0 | 0 | 0 | 109.8 | I315 I369 I370 I372 L380 I392 | V313-I315 HydrophobicContact CG1-CG1 4.34Å; V313-I369 CarbonylContact O-C 3.39Å; V313-I369 WeakPolarHBondContact O-CA 3.16Å; V313-I370 PolarHBondContact N-O 3.03Å; V313-I370 PolarHBondContact O-N 2.87Å; V313-I372 HydrophobicContact CB-CD1 4.33Å; V313-I372 HydrophobicContact CG2-CD1 3.3Å; V313-I372 HydrophobicContact CG2-CG1 4.06Å; V313-L380 HydrophobicContact CG1-CD1 3.86Å; V313-L380 HydrophobicContact CG1-CD2 3.77Å; V313-L380 HydrophobicContact CG1-CG 4.5Å; V313-I392 HydrophobicContact CG2-CD1 3.65Å; V313-I392 HydrophobicContact CG2-CG1 3.84Å |
| 314 | N | 65.8 | Low | 55.8 | Low | 86 Ų | 86 | 73.4 Ų | 73.4 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.1 | 177.8 | -168.1 | -13.2 | 0 | 0 | 0 | 109.6 | K367 I369 | N314-K367 WeakPolarHBondContact OD1-CB 3.34Å; N314-I369 HydrophobicContact CB-CG1 4.35Å |
| 315 | I | 60.1 | Low | 54.8 | Low | 27 Ų | 27 | 77.8 Ų | 77.8 | 14% | 0.138 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.9 | -175.6 | -51.7 | -167.2 | 0 | 0 | 0 | 109.9 | V313 K367 E368 I370 I378 L380 | V313-I315 HydrophobicContact CG1-CG1 4.34Å; I315-K367 WeakPolarHBondContact O-CA 2.98Å; I315-E368 PolarHBondContact N-O 3.26Å; I315-E368 PolarHBondContact O-N 2.8Å; I315-E368 VanDerWaalsContact O-N 3.13Å; I315-I370 HydrophobicContact CB-CD1 4.48Å; I315-I370 HydrophobicContact CD1-CD1 3.6Å; I315-I370 HydrophobicContact CD1-CG1 4.47Å; I315-I370 HydrophobicContact CG1-CD1 4.11Å; I315-I378 HydrophobicContact CD1-CD1 3.83Å; I315-L380 HydrophobicContact CD1-CD2 3.74Å; I315-L380 HydrophobicContact CG1-CD2 4.18Å |
| 316 | D | 55.6 | Low | 53.3 | Low | 39 Ų | 39 | 83.6 Ų | 83.6 | 21% | 0.209 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 118.3 | 173.1 | -168.3 | -24.8 | 0 | 0 | 0 | 110 | K318 N319 V365 | D316-K318 PolarHBondContact O-N 3.49Å; D316-K318 PolarHBondContact OD1-N 2.86Å; D316-K318 VanDerWaalsContact OD1-N 3.14Å; D316-N319 PolarHBondContact O-N 3.34Å; D316-V365 VanDerWaalsContact CG-CG1 3.41Å; D316-V365 WeakPolarHBondContact OD1-CG1 3.25Å; D316-V365 WeakPolarHBondContact OD2-CG1 3.39Å |
| 317 | M | 49.4 | Very low | 51.7 | Low | 64 Ų | 64 | 88.8 Ų | 88.8 | 32% | 0.315 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -60.5 | -10.5 | -179.1 | -78.1 | -144.5 | -69 | 0 | 0 | 114.4 | N319 W320 N366 | M317-N319 PolarHBondContact O-N 3.16Å; M317-N319 VanDerWaalsContact O-N 3.16Å; M317-W320 HydrophobicContact CG-CD2 4.26Å; M317-W320 HydrophobicContact CG-CE3 3.77Å; M317-W320 HydrophobicContact CG-CZ3 4.03Å; M317-W320 WeakPolarHBondContact O-CB 3.11Å; M317-W320 PolarHBondContact O-N 2.87Å; M317-W320 HydrophobicContact SD-CE3 3.49Å; M317-W320 HydrophobicContact SD-CZ3 3.57Å; M317-W320 VanDerWaalsContact SD-CZ3 3.57Å; M317-N366 HydrophobicContact CB-CB 4.28Å; M317-N366 WeakPolarHBondContact CB-O 3.27Å; M317-N366 HydrophobicContact CE-CB 3.45Å; M317-N366 VanDerWaalsContact CE-CB 3.45Å; M317-N366 HydrophobicContact CG-CB 4.33Å; M317-N366 WeakPolarHBondContact CG-O 3.08Å; M317-N366 PolarHBondContact N-O 3.35Å |
| 318 | K | 45.4 | Very low | 50 | Low | 168 Ų | 168 | 95.6 Ų | 95.6 | 73% | 0.73 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -56.7 | -26.2 | 171.2 | -77.2 | -176.7 | 174.7 | -176.2 | 0 | 114 | D316 | D316-K318 PolarHBondContact O-N 3.49Å; D316-K318 PolarHBondContact OD1-N 2.86Å; D316-K318 VanDerWaalsContact OD1-N 3.14Å |
| 319 | N | 39.4 | Very low | 48 | Very low | 96 Ų | 96 | 94.5 Ų | 94.5 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -91.8 | 6.9 | 179.3 | -64.2 | -16.3 | 0 | 0 | 0 | 113 | D316 M317 E381 | D316-N319 PolarHBondContact O-N 3.34Å; M317-N319 PolarHBondContact O-N 3.16Å; M317-N319 VanDerWaalsContact O-N 3.16Å; N319-E381 PolarHBondContact ND2-OE1 3.14Å |
| 320 | W | 38.7 | Very low | 45.8 | Very low | 82 Ų | 82 | 96.2 Ų | 96.2 | 31% | 0.311 | 51% | 0.505 | S | S | . | . | trans | -93.9 | 121.4 | 179.1 | -84 | 9.9 | 0 | 0 | 0 | 112.9 | M317 P324 I370 | M317-W320 HydrophobicContact CG-CD2 4.26Å; M317-W320 HydrophobicContact CG-CE3 3.77Å; M317-W320 HydrophobicContact CG-CZ3 4.03Å; M317-W320 WeakPolarHBondContact O-CB 3.11Å; M317-W320 PolarHBondContact O-N 2.87Å; M317-W320 HydrophobicContact SD-CE3 3.49Å; M317-W320 HydrophobicContact SD-CZ3 3.57Å; M317-W320 VanDerWaalsContact SD-CZ3 3.57Å; W320-P324 HydrophobicContact CE3-CG 4.42Å; W320-P324 HydrophobicContact CH2-CB 3.74Å; W320-P324 HydrophobicContact CH2-CG 3.61Å; W320-P324 HydrophobicContact CZ3-CB 3.89Å; W320-P324 HydrophobicContact CZ3-CG 3.39Å; W320-I370 HydrophobicContact CZ2-CD1 3.69Å | ||
| 321 | L | 39.2 | Very low | 43.3 | Very low | 165 Ų | 165 | 96.5 Ų | 96.5 | 86% | 0.864 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -84.1 | -5.8 | 172.3 | -79.9 | 153.8 | 0 | 0 | 0 | 113.3 | ||
| 322 | S | 30.9 | Very low | 40.9 | Very low | 95 Ų | 95 | 105.1 Ų | 105.1 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -157.4 | 156.6 | -177.9 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 323 | N | 31.6 | Very low | 38.6 | Very low | 112 Ų | 112 | 108.9 Ų | 108.9 | 60% | 0.599 | 55% | 0.551 | S | S | * | * | trans | -88.4 | 132.3 | -173.7 | -159.7 | 7.2 | 0 | 0 | 0 | 110.5 | N325 | N323-N325 VanDerWaalsContact C-N 3.34Å; N323-N325 PolarHBondContact O-N 3.45Å | ||
| 324 | P | 34.2 | Very low | 36.4 | Very low | 60 Ų | 60 | 118.2 Ų | 118.2 | 39% | 0.39 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | -12.5 | -163 | 35.6 | -40.8 | 0 | 0 | 0 | 114.1 | W320 E326 | W320-P324 HydrophobicContact CE3-CG 4.42Å; W320-P324 HydrophobicContact CH2-CB 3.74Å; W320-P324 HydrophobicContact CH2-CG 3.61Å; W320-P324 HydrophobicContact CZ3-CB 3.89Å; W320-P324 HydrophobicContact CZ3-CG 3.39Å; P324-E326 PolarHBondContact O-N 2.85Å |
| 325 | N | 34.3 | Very low | 34.5 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 79% | 0.791 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -12.9 | -178.9 | -70.1 | -25.9 | 0 | 0 | 0 | 112.9 | N323 K327 | N323-N325 VanDerWaalsContact C-N 3.34Å; N323-N325 PolarHBondContact O-N 3.45Å; N325-K327 PolarHBondContact O-N 3.42Å |
| 326 | E | 33.5 | Very low | 33 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 74% | 0.738 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -87.2 | 89.8 | 170.8 | -69.5 | -162.6 | 126.9 | 0 | 0 | 111.2 | P324 | P324-E326 PolarHBondContact O-N 2.85Š|
| 327 | K | 29.2 | Very low | 31.7 | Very low | 186 Ų | 186 | 127.6 Ų | 127.6 | 81% | 0.809 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 50.8 | 99.2 | 160.8 | -65.8 | 174.8 | 177.5 | 172.8 | 0 | 116.3 | N325 V329 | N325-K327 PolarHBondContact O-N 3.42Å; K327-V329 WeakPolarHBondContact O-CG2 3.08Å; K327-V329 PolarHBondContact O-N 2.86Å |
| 328 | I | 29 | Very low | 30.9 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 77% | 0.769 | 65% | 0.65 | S | S | * | * | trans | 15.3 | 76.8 | 147.1 | -49.4 | 177.5 | 0 | 0 | 0 | 113 | N330 | I328-N330 WeakPolarHBondContact CG2-OD1 3.19Å; I328-N330 PolarHBondContact O-N 2.91Å | ||
| 329 | V | 26.4 | Very low | 30.6 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | trans | -79.5 | 79.3 | -177.1 | -175 | 0 | 0 | 0 | 0 | 108.1 | K327 T331 | K327-V329 WeakPolarHBondContact O-CG2 3.08Å; K327-V329 PolarHBondContact O-N 2.86Å; V329-T331 WeakPolarHBondContact CG1-O 3.34Å; V329-T331 PolarHBondContact O-N 2.91Å | ||
| 330 | N | 26 | Very low | 30.6 | Very low | 141 Ų | 141 | 129 Ų | 129 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | trans | -64.3 | -9.3 | 178.1 | -81.4 | -12.7 | 0 | 0 | 0 | 113.3 | I328 | I328-N330 WeakPolarHBondContact CG2-OD1 3.19Å; I328-N330 PolarHBondContact O-N 2.91Å | ||
| 331 | T | 22.9 | Very low | 30.6 | Very low | 63 Ų | 63 | 130.6 Ų | 130.6 | 39% | 0.387 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -151 | 109.2 | -170.9 | 41 | 0 | 0 | 0 | 0 | 110.9 | W79 V329 K333 | W79-T331 VanDerWaalsContact CD1-CG2 3.48Å; W79-T331 HydrophobicContact CD2-CG2 3.69Å; W79-T331 HydrophobicContact CE3-CG2 4.48Å; W79-T331 HydrophobicContact CG-CG2 3.67Å; W79-T331 HydrophobicContact CZ2-CG2 4.25Å; V329-T331 WeakPolarHBondContact CG1-O 3.34Å; V329-T331 PolarHBondContact O-N 2.91Å; T331-K333 PolarHBondContact O-N 2.92Å |
| 332 | F | 26.7 | Very low | 30.2 | Very low | 182 Ų | 182 | 130 Ų | 130 | 80% | 0.798 | 65% | 0.651 | S | S | * | * | trans | -70.6 | 86.4 | -178.7 | -85.4 | -91.4 | 0 | 0 | 0 | 112.2 | W79 R334 | W79-F332 VanDerWaalsContact CH2-C 3.45Å; W79-F332 WeakPolarHBondContact CH2-O 3.35Å; F332-R334 PolarHBondContact O-N 3.4Å | ||
| 333 | K | 23.2 | Very low | 30.3 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 66% | 0.661 | 64% | 0.638 | S | S | * | * | trans | -58 | 109.7 | 165.3 | -94.7 | -167.8 | 174.3 | -173.9 | 0 | 109.4 | M73 W79 T331 L335 | M73-K333 HydrophobicContact CE-CD 4.33Å; M73-K333 VanDerWaalsContact CE-CE 3.46Å; M73-K333 HydrophobicContact CE-CG 3.94Å; W79-K333 HydrophobicContact CZ2-CG 4.22Å; T331-K333 PolarHBondContact O-N 2.92Å; K333-L335 PolarHBondContact O-N 2.04Å; K333-L335 VanDerWaalsContact O-N 3.17Å | ||
| 334 | R | 23.6 | Very low | 30.5 | Very low | 211 Ų | 211 | 129.3 Ų | 129.3 | 80% | 0.796 | 64% | 0.638 | S | S | * | * | trans | -58 | 115 | 162.9 | -170.5 | 179.1 | -168.5 | 159.9 | 1.5 | 107 | F332 D336 | F332-R334 PolarHBondContact O-N 3.4Å; R334-D336 PolarHBondContact O-N 2.82Å | ||
| 335 | L | 25.2 | Very low | 30.6 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 69% | 0.686 | 64% | 0.643 | S | S | * | * | trans | -71.6 | 110.5 | 166.3 | -86.6 | 88.9 | 0 | 0 | 0 | 107.1 | K333 L337 | K333-L335 PolarHBondContact O-N 2.04Å; K333-L335 VanDerWaalsContact O-N 3.17Å; L335-L337 HydrophobicContact CB-CG 4.31Å; L335-L337 PolarHBondContact O-N 3.07Å | ||
| 336 | D | 29.1 | Very low | 30.5 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 75% | 0.754 | 63% | 0.629 | S | S | * | * | trans | -70.4 | 77.4 | 165 | -67.5 | -38.8 | 0 | 0 | 0 | 108.3 | R334 N338 | R334-D336 PolarHBondContact O-N 2.82Å; D336-N338 PolarHBondContact O-N 2.93Å | ||
| 337 | L | 28 | Very low | 30.4 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 41% | 0.408 | 62% | 0.62 | S | S | . | * | trans | -61.4 | 106.8 | 173.3 | -74.9 | 165.5 | 0 | 0 | 0 | 108.1 | L335 | L335-L337 HydrophobicContact CB-CG 4.31Å; L335-L337 PolarHBondContact O-N 3.07Å | ||
| 338 | N | 33.3 | Very low | 30.7 | Very low | 119 Ų | 119 | 122 Ų | 122 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | trans | -57.2 | 142.6 | 175.2 | -117.5 | -34.4 | 0 | 0 | 0 | 109.2 | D336 T340 E341 W342 | D336-N338 PolarHBondContact O-N 2.93Å; N338-T340 PolarHBondContact O-N 3.2Å; N338-E341 PolarHBondContact O-N 3.47Å; N338-W342 PolarHBondContact O-N 2.98Å | ||
| 339 | L | 38.7 | Very low | 31 | Very low | 144 Ų | 144 | 121.6 Ų | 121.6 | 75% | 0.754 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -56.6 | -27.4 | -170.3 | -161.4 | 72.6 | 0 | 0 | 0 | 113.1 | W342 S343 | L339-W342 PolarHBondContact O-N 2.59Å; L339-S343 PolarHBondContact O-N 3.29Å; L339-S343 PolarHBondContact O-OG 3.18Å |
| 340 | T | 39.4 | Very low | 31.2 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.9 | -25.5 | 173.8 | 28 | 0 | 0 | 0 | 0 | 115.2 | N338 S343 K344 | N338-T340 PolarHBondContact O-N 3.2Å; T340-S343 WeakPolarHBondContact CA-OG 3.27Å; T340-S343 PolarHBondContact O-OG 2.96Å; T340-K344 WeakPolarHBondContact O-CB 3.14Å; T340-K344 VanDerWaalsContact O-CG 3.28Å; T340-K344 WeakPolarHBondContact O-CG 3.49Å; T340-K344 PolarHBondContact O-N 2.79Å; T340-K344 VanDerWaalsContact O-N 3.1Å |
| 341 | E | 39.2 | Very low | 31.5 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 55% | 0.547 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -81.2 | -33.2 | 169.2 | -73.3 | -170.9 | 147.4 | 0 | 0 | 111.4 | N338 K344 S345 | N338-E341 PolarHBondContact O-N 3.47Å; E341-K344 PolarHBondContact O-N 2.89Å; E341-S345 WeakPolarHBondContact O-CB 3.42Å; E341-S345 PolarHBondContact O-N 2.89Å |
| 342 | W | 30.1 | Very low | 31.8 | Very low | 153 Ų | 153 | 130 Ų | 130 | 58% | 0.58 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.9 | -45 | 171.6 | -130.4 | 71.6 | 0 | 0 | 0 | 111.5 | N338 L339 S345 L346 | N338-W342 PolarHBondContact O-N 2.98Å; L339-W342 PolarHBondContact O-N 2.59Å; W342-S345 WeakPolarHBondContact O-CB 3.13Å; W342-S345 PolarHBondContact O-N 3.33Å; W342-L346 HydrophobicContact CE3-CD1 4.31Å; W342-L346 HydrophobicContact CZ3-CD1 4.45Å; W342-L346 PolarHBondContact O-N 2.71Å; W342-L346 VanDerWaalsContact O-N 3.08Å |
| 343 | S | 32.1 | Very low | 31.9 | Very low | 54 Ų | 54 | 127.9 Ų | 127.9 | 38% | 0.378 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.3 | -33.1 | 175.4 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | L339 T340 L346 N347 | L339-S343 PolarHBondContact O-N 3.29Å; L339-S343 PolarHBondContact O-OG 3.18Å; T340-S343 WeakPolarHBondContact CA-OG 3.27Å; T340-S343 PolarHBondContact O-OG 2.96Å; S343-L346 PolarHBondContact O-N 3.14Å; S343-N347 WeakPolarHBondContact O-CB 3.44Å; S343-N347 VanDerWaalsContact O-CG 3.32Å; S343-N347 PolarHBondContact O-N 3.5Å |
| 344 | K | 36.8 | Very low | 32.1 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 60% | 0.6 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.4 | -36.7 | 168.3 | -81.6 | 179.7 | -178.7 | -177.5 | 0 | 112.5 | T340 E341 L346 N347 N348 | T340-K344 WeakPolarHBondContact O-CB 3.14Å; T340-K344 VanDerWaalsContact O-CG 3.28Å; T340-K344 WeakPolarHBondContact O-CG 3.49Å; T340-K344 PolarHBondContact O-N 2.79Å; T340-K344 VanDerWaalsContact O-N 3.1Å; E341-K344 PolarHBondContact O-N 2.89Å; K344-L346 VanDerWaalsContact C-N 3.32Å; K344-L346 PolarHBondContact O-N 3.18Å; K344-N347 PolarHBondContact O-N 2.93Å; K344-N348 WeakPolarHBondContact O-CB 3.28Å; K344-N348 VanDerWaalsContact O-CG 3.23Å; K344-N348 PolarHBondContact O-N 3.4Å |
| 345 | S | 36.1 | Very low | 32.3 | Very low | 71 Ų | 71 | 125.3 Ų | 125.3 | 50% | 0.497 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -64.8 | -35.8 | 175.5 | -172 | 0 | 0 | 0 | 0 | 112 | E341 W342 | E341-S345 WeakPolarHBondContact O-CB 3.42Å; E341-S345 PolarHBondContact O-N 2.89Å; W342-S345 WeakPolarHBondContact O-CB 3.13Å; W342-S345 PolarHBondContact O-N 3.33Å |
| 346 | L | 31.8 | Very low | 32.4 | Very low | 95 Ų | 95 | 127 Ų | 127 | 50% | 0.497 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -74.6 | -46.9 | 172.6 | -98.7 | 75.6 | 0 | 0 | 0 | 112.3 | W342 S343 K344 N348 Q349 | W342-L346 HydrophobicContact CE3-CD1 4.31Å; W342-L346 HydrophobicContact CZ3-CD1 4.45Å; W342-L346 PolarHBondContact O-N 2.71Å; W342-L346 VanDerWaalsContact O-N 3.08Å; S343-L346 PolarHBondContact O-N 3.14Å; K344-L346 VanDerWaalsContact C-N 3.32Å; K344-L346 PolarHBondContact O-N 3.18Å; L346-N348 PolarHBondContact O-N 2.89Å; L346-Q349 WeakPolarHBondContact O-CB 3.46Å; L346-Q349 PolarHBondContact O-N 2.81Å |
| 347 | N | 32.6 | Very low | 32.2 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 56% | 0.556 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.1 | -35.2 | -174.6 | -72 | 4.7 | 0 | 0 | 0 | 112.4 | S343 K344 Q349 Q350 | S343-N347 WeakPolarHBondContact O-CB 3.44Å; S343-N347 VanDerWaalsContact O-CG 3.32Å; S343-N347 PolarHBondContact O-N 3.5Å; K344-N347 PolarHBondContact O-N 2.93Å; N347-Q349 PolarHBondContact O-N 3.47Å; N347-Q349 VanDerWaalsContact O-N 3.12Å; N347-Q350 PolarHBondContact O-N 2.93Å; N347-Q350 VanDerWaalsContact O-N 3.08Å |
| 348 | N | 34.1 | Very low | 32.1 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 68% | 0.684 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -10.6 | 172.7 | -72.9 | -7.2 | 0 | 0 | 0 | 113.2 | K344 L346 | K344-N348 WeakPolarHBondContact O-CB 3.28Å; K344-N348 VanDerWaalsContact O-CG 3.23Å; K344-N348 PolarHBondContact O-N 3.4Å; L346-N348 PolarHBondContact O-N 2.89Å |
| 349 | Q | 36 | Very low | 31.8 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 66% | 0.659 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -12.3 | 172.1 | -72.6 | -171.5 | -11.2 | 0 | 0 | 114.2 | L346 N347 | L346-Q349 WeakPolarHBondContact O-CB 3.46Å; L346-Q349 PolarHBondContact O-N 2.81Å; N347-Q349 PolarHBondContact O-N 3.47Å; N347-Q349 VanDerWaalsContact O-N 3.12Å |
| 350 | Q | 31.1 | Very low | 31.3 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -29 | -178.7 | -81.4 | -169.4 | -23.4 | 0 | 0 | 115.2 | N347 | N347-Q350 PolarHBondContact O-N 2.93Å; N347-Q350 VanDerWaalsContact O-N 3.08Å |
| 351 | E | 31.2 | Very low | 30.8 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 84% | 0.841 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -5.2 | -172.5 | -74 | -166.7 | 143 | 0 | 0 | 116.5 | ||
| 352 | N | 30.1 | Very low | 30.5 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 25.3 | 178.1 | -85.7 | -42.9 | 0 | 0 | 0 | 114.8 | L354 | N352-L354 PolarHBondContact O-N 3.29Š|
| 353 | L | 28.5 | Very low | 30.7 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | trans | -78 | 53.5 | 163.8 | -81 | 164 | 0 | 0 | 0 | 111.5 | I355 | L353-I355 PolarHBondContact O-N 2.98Š| ||
| 354 | L | 28 | Very low | 30.9 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | trans | -75.7 | 106.7 | 159.9 | -93.7 | 165.8 | 0 | 0 | 0 | 107.8 | N352 E356 | N352-L354 PolarHBondContact O-N 3.29Å; L354-E356 PolarHBondContact O-N 2.81Å | ||
| 355 | I | 27.8 | Very low | 31.2 | Very low | 152 Ų | 152 | 129 Ų | 129 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | trans | -74 | 88 | -170.1 | -55.9 | 163.7 | 0 | 0 | 0 | 109.8 | L353 | L353-I355 PolarHBondContact O-N 2.98Š| ||
| 356 | E | 25.8 | Very low | 31.7 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -88.4 | 120.7 | 156.9 | -76.7 | -157.2 | 146.2 | 0 | 0 | 109.9 | L354 I358 | L354-E356 PolarHBondContact O-N 2.81Å; E356-I358 VanDerWaalsContact C-N 3.35Å; E356-I358 PolarHBondContact O-N 3.17Å | ||
| 357 | P | 25.1 | Very low | 32.5 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | trans | -81.7 | 76.2 | -168.8 | 33.1 | -36.5 | 0 | 0 | 0 | 112 | S359 | P357-S359 VanDerWaalsContact C-N 3.29Å; P357-S359 PolarHBondContact O-N 3.01Å | ||
| 358 | I | 27.2 | Very low | 33.9 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 70% | 0.697 | 69% | 0.689 | S | S | * | * | trans | -73.2 | 87.5 | 172.4 | -55.2 | -178.1 | 0 | 0 | 0 | 109.8 | E356 | E356-I358 VanDerWaalsContact C-N 3.35Å; E356-I358 PolarHBondContact O-N 3.17Å | ||
| 359 | S | 26 | Very low | 35.6 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | 152.3 | 162 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | P357 | P357-S359 VanDerWaalsContact C-N 3.29Å; P357-S359 PolarHBondContact O-N 3.01Å |
| 360 | N | 28 | Very low | 37.2 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 83% | 0.834 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.7 | 22 | 168.1 | -56.8 | -24.6 | 0 | 0 | 0 | 120 | S362 | N360-S362 VanDerWaalsContact C-N 3.26Å; N360-S362 PolarHBondContact O-N 3.3Å |
| 361 | I | 30 | Very low | 39.2 | Very low | 151 Ų | 151 | 122.3 Ų | 122.3 | 77% | 0.774 | 65% | 0.652 | S | S | * | * | trans | -77.1 | 88.6 | 149.5 | -58.1 | -179.2 | 0 | 0 | 0 | 107.7 | S363 | I361-S363 PolarHBondContact O-N 3.5Š| ||
| 362 | S | 31.4 | Very low | 41.2 | Very low | 86 Ų | 86 | 114.1 Ų | 114.1 | 60% | 0.601 | 61% | 0.614 | S | S | * | * | trans | -53.3 | 128 | 168.6 | 61.2 | 0 | 0 | 0 | 0 | 108.7 | N360 K364 | N360-S362 VanDerWaalsContact C-N 3.26Å; N360-S362 PolarHBondContact O-N 3.3Å; S362-K364 PolarHBondContact O-N 2.9Å | ||
| 363 | S | 34.8 | Very low | 43.1 | Very low | 111 Ų | 111 | 111.9 Ų | 111.9 | 78% | 0.776 | 60% | 0.599 | S | S | * | * | trans | -69.1 | 68.7 | 178.4 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | I361 V365 | I361-S363 PolarHBondContact O-N 3.5Å; S363-V365 PolarHBondContact O-N 3.1Å | ||
| 364 | K | 37.5 | Very low | 45 | Very low | 165 Ų | 165 | 105.7 Ų | 105.7 | 72% | 0.717 | 57% | 0.567 | S | S | * | * | trans | -64.1 | 88.1 | 155 | -79.1 | -172.8 | 175.4 | -178.3 | 0 | 106.8 | S362 N366 | S362-K364 PolarHBondContact O-N 2.9Å; K364-N366 VanDerWaalsContact C-N 3.27Å; K364-N366 PolarHBondContact O-N 2.04Å; K364-N366 PolarHBondContact O-OD1 2.84Å | ||
| 365 | V | 42.2 | Very low | 46.4 | Very low | 66 Ų | 66 | 99.2 Ų | 99.2 | 40% | 0.4 | 54% | 0.538 | S | S | . | . | trans | -58.3 | 99.5 | 160.6 | -176.3 | 0 | 0 | 0 | 0 | 105 | D316 S363 K367 | D316-V365 VanDerWaalsContact CG-CG1 3.41Å; D316-V365 WeakPolarHBondContact OD1-CG1 3.25Å; D316-V365 WeakPolarHBondContact OD2-CG1 3.39Å; S363-V365 PolarHBondContact O-N 3.1Å; V365-K367 VanDerWaalsContact C-N 3.26Å; V365-K367 HydrophobicContact CG1-CG 4.21Å; V365-K367 PolarHBondContact O-N 2.03Å | ||
| 366 | N | 46.7 | Very low | 47.9 | Very low | 88 Ų | 88 | 96.5 Ų | 96.5 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | trans | -72.1 | 90.6 | -173.7 | -77.2 | -22.4 | 0 | 0 | 0 | 108.2 | M317 K364 | M317-N366 HydrophobicContact CB-CB 4.28Å; M317-N366 WeakPolarHBondContact CB-O 3.27Å; M317-N366 HydrophobicContact CE-CB 3.45Å; M317-N366 VanDerWaalsContact CE-CB 3.45Å; M317-N366 HydrophobicContact CG-CB 4.33Å; M317-N366 WeakPolarHBondContact CG-O 3.08Å; M317-N366 PolarHBondContact N-O 3.35Å; K364-N366 VanDerWaalsContact C-N 3.27Å; K364-N366 PolarHBondContact O-N 2.04Å; K364-N366 PolarHBondContact O-OD1 2.84Å | ||
| 367 | K | 48.7 | Very low | 49.4 | Very low | 133 Ų | 133 | 93.9 Ų | 93.9 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 104.5 | 177.2 | -91.3 | -168.3 | -176.8 | -163.2 | 0 | 108.4 | N314 I315 V365 | N314-K367 WeakPolarHBondContact OD1-CB 3.34Å; I315-K367 WeakPolarHBondContact O-CA 2.98Å; V365-K367 VanDerWaalsContact C-N 3.26Å; V365-K367 HydrophobicContact CG1-CG 4.21Å; V365-K367 PolarHBondContact O-N 2.03Å |
| 368 | E | 61.3 | Low | 51 | Low | 94 Ų | 94 | 89.8 Ų | 89.8 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.1 | 179.7 | -170.7 | 161.1 | -150.5 | 0 | 0 | 110.3 | I315 | I315-E368 PolarHBondContact N-O 3.26Å; I315-E368 PolarHBondContact O-N 2.8Å; I315-E368 VanDerWaalsContact O-N 3.13Å |
| 369 | I | 69.6 | Low | 52.5 | Low | 112 Ų | 112 | 88 Ų | 88 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 106.1 | -179.4 | -61.2 | 169.7 | 0 | 0 | 0 | 108.6 | V313 N314 | V313-I369 CarbonylContact O-C 3.39Å; V313-I369 WeakPolarHBondContact O-CA 3.16Å; N314-I369 HydrophobicContact CB-CG1 4.35Å |
| 370 | I | 69.9 | Low | 54.1 | Low | 51 Ų | 51 | 84.9 Ų | 84.9 | 26% | 0.262 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.8 | 176.3 | -50.5 | -178.2 | 0 | 0 | 0 | 108.9 | S312 V313 I315 W320 | S312-I370 WeakPolarHBondContact CA-O 2.91Å; V313-I370 PolarHBondContact N-O 3.03Å; V313-I370 PolarHBondContact O-N 2.87Å; I315-I370 HydrophobicContact CB-CD1 4.48Å; I315-I370 HydrophobicContact CD1-CD1 3.6Å; I315-I370 HydrophobicContact CD1-CG1 4.47Å; I315-I370 HydrophobicContact CG1-CD1 4.11Å; W320-I370 HydrophobicContact CZ2-CD1 3.69Å |
| 371 | T | 74.2 | Confident | 55.3 | Low | 80 Ų | 80 | 83.6 Ų | 83.6 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.5 | 172.6 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | T310 C311 | T310-T371 HydrophobicContact CG2-CG2 4.14Å; C311-T371 CarbonylContact O-C 3.55Å; C311-T371 WeakPolarHBondContact O-CA 3.34Å |
| 372 | I | 71.7 | Confident | 56 | Low | 8 Ų | 8 | 80.7 Ų | 80.7 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.5 | -178 | -54.1 | -177.7 | 0 | 0 | 0 | 108.2 | T310 C311 V313 Q376 I378 C387 | T310-I372 CarbonylContact C-O 3.57Å; T310-I372 WeakPolarHBondContact CA-O 3.45Å; T310-I372 WeakPolarHBondContact CB-O 3.05Å; C311-I372 HydrophobicContact CB-CB 4.47Å; C311-I372 PolarHBondContact N-O 2.96Å; C311-I372 PolarHBondContact O-N 2.9Å; V313-I372 HydrophobicContact CB-CD1 4.33Å; V313-I372 HydrophobicContact CG2-CD1 3.3Å; V313-I372 HydrophobicContact CG2-CG1 4.06Å; I372-Q376 HydrophobicContact CG2-CB 3.68Å; I372-I378 HydrophobicContact CD1-CB 3.86Å; I372-I378 HydrophobicContact CD1-CD1 3.45Å; I372-I378 VanDerWaalsContact CD1-CD1 3.45Å; I372-I378 HydrophobicContact CD1-CG1 4.23Å; I372-I378 HydrophobicContact CD1-CG2 3.58Å; I372-I378 HydrophobicContact CG1-CD1 4.32Å; I372-C387 HydrophobicContact CG2-CB 4.01Å |
| 373 | Q | 71.2 | Confident | 56.9 | Low | 92 Ų | 92 | 77 Ų | 77 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 151.5 | 175.4 | -60.3 | -61.7 | -40.4 | 0 | 0 | 110.3 | G375 Q376 C387 | Q373-G375 PolarHBondContact O-N 3.22Å; Q373-Q376 HydrophobicContact CB-CG 4.04Å; Q373-Q376 VanDerWaalsContact CB-OE1 3.3Å; Q373-Q376 PolarHBondContact O-N 2.82Å; Q373-C387 WeakPolarHBondContact O-CB 3.43Å |
| 374 | P | 67.1 | Low | 57.8 | Low | 7 Ų | 7 | 76.1 Ų | 76.1 | 5% | 0.045 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | 143.8 | 170.4 | -21.6 | 28.4 | 0 | 0 | 0 | 110.1 | R306 G307 D308 Q376 | R306-P374 HydrophobicContact CG-CB 3.57Å; R306-P374 VanDerWaalsContact NE-C 3.25Å; R306-P374 PolarHBondContact NE-O 3.11Å; R306-P374 PolarHBondContact NH2-O 2.8Å; G307-P374 VanDerWaalsContact O-CB 3.29Å; G307-P374 WeakPolarHBondContact O-CB 3.31Å; D308-P374 VanDerWaalsContact C-CG 3.49Å; D308-P374 VanDerWaalsContact O-CG 3.3Å; D308-P374 WeakPolarHBondContact O-CG 3.23Å; P374-Q376 PolarHBondContact O-N 2.75Å |
| 375 | G | 58.4 | Low | 58.7 | Low | 20 Ų | 20 | 68.2 Ų | 68.2 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | -6.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q373 C387 | Q373-G375 PolarHBondContact O-N 3.22Å; G375-C387 VanDerWaalsContact CA-O 3.31Å; G375-C387 WeakPolarHBondContact CA-O 3.33Å; G375-C387 PolarHBondContact N-O 2.62Å |
| 376 | Q | 59.4 | Low | 59.6 | Low | 95 Ų | 95 | 67.3 Ų | 67.3 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | trans | -71.1 | 140.5 | 172.5 | -76.7 | -178.2 | -39.6 | 0 | 0 | 110.6 | I372 Q373 P374 C387 | I372-Q376 HydrophobicContact CG2-CB 3.68Å; Q373-Q376 HydrophobicContact CB-CG 4.04Å; Q373-Q376 VanDerWaalsContact CB-OE1 3.3Å; Q373-Q376 PolarHBondContact O-N 2.82Å; P374-Q376 PolarHBondContact O-N 2.75Å; Q376-C387 PolarHBondContact O-N 3.05Å | ||
| 377 | Q | 57.8 | Low | 60.5 | Low | 111 Ų | 111 | 63.2 Ų | 63.2 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 139.9 | 170.7 | -169.9 | 177.6 | 6.7 | 0 | 0 | 109.9 | H384 C385 F386 | Q377-H384 PolarHBondContact NE2-ND1 2.83Å; Q377-H384 VanDerWaalsContact NE2-ND1 3.17Å; Q377-C385 CarbonylContact C-O 3.59Å; Q377-C385 WeakPolarHBondContact CA-O 3.43Å; Q377-F386 HydrophobicContact CB-CD1 3.75Å; Q377-F386 HydrophobicContact CB-CE1 3.58Å; Q377-F386 HydrophobicContact CB-CZ 4.43Å; Q377-F386 HydrophobicContact CG-CD1 3.93Å; Q377-F386 HydrophobicContact CG-CE1 3.47Å; Q377-F386 VanDerWaalsContact CG-CE1 3.47Å; Q377-F386 HydrophobicContact CG-CZ 3.82Å |
| 378 | I | 59 | Low | 61.1 | Low | 32 Ų | 32 | 57.6 Ų | 57.6 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.6 | 170.1 | -171.9 | 161.5 | 0 | 0 | 0 | 109.8 | I315 I372 L380 C385 | I315-I378 HydrophobicContact CD1-CD1 3.83Å; I372-I378 HydrophobicContact CD1-CB 3.86Å; I372-I378 HydrophobicContact CD1-CD1 3.45Å; I372-I378 VanDerWaalsContact CD1-CD1 3.45Å; I372-I378 HydrophobicContact CD1-CG1 4.23Å; I372-I378 HydrophobicContact CD1-CG2 3.58Å; I372-I378 HydrophobicContact CG1-CD1 4.32Å; I378-L380 HydrophobicContact CD1-CD2 4Å; I378-L380 HydrophobicContact CG1-CD2 4.14Å; I378-L380 HydrophobicContact CG1-CG 4.42Å; I378-L380 HydrophobicContact CG2-CD1 4.14Å; I378-L380 HydrophobicContact CG2-CD2 4.38Å; I378-L380 HydrophobicContact CG2-CG 3.96Å; I378-C385 HydrophobicContact CG2-CB 4.33Å; I378-C385 PolarHBondContact N-O 2.82Å; I378-C385 PolarHBondContact O-N 2.71Å |
| 379 | V | 58.3 | Low | 61.3 | Low | 98 Ų | 98 | 56.8 Ų | 56.8 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119 | 167.2 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 380 | L | 59.3 | Low | 61.2 | Low | 26 Ų | 26 | 53.4 Ų | 53.4 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 177.1 | 172.4 | -60.2 | 173.9 | 0 | 0 | 0 | 109.2 | V313 I315 I378 Q382 G383 C385 I392 | V313-L380 HydrophobicContact CG1-CD1 3.86Å; V313-L380 HydrophobicContact CG1-CD2 3.77Å; V313-L380 HydrophobicContact CG1-CG 4.5Å; I315-L380 HydrophobicContact CD1-CD2 3.74Å; I315-L380 HydrophobicContact CG1-CD2 4.18Å; I378-L380 HydrophobicContact CD1-CD2 4Å; I378-L380 HydrophobicContact CG1-CD2 4.14Å; I378-L380 HydrophobicContact CG1-CG 4.42Å; I378-L380 HydrophobicContact CG2-CD1 4.14Å; I378-L380 HydrophobicContact CG2-CD2 4.38Å; I378-L380 HydrophobicContact CG2-CG 3.96Å; L380-Q382 VanDerWaalsContact CB-OE1 3.3Å; L380-Q382 PolarHBondContact O-N 2.9Å; L380-G383 PolarHBondContact N-O 2.62Å; L380-G383 PolarHBondContact O-N 2.91Å; L380-C385 HydrophobicContact CD1-CB 4.23Å; L380-I392 HydrophobicContact CD1-CG2 4.05Å |
| 381 | E | 52 | Low | 60.7 | Low | 129 Ų | 129 | 53.5 Ų | 53.5 | 60% | 0.603 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.8 | 175.5 | -62.9 | -176.1 | 148 | 0 | 0 | 111.8 | N319 G383 | N319-E381 PolarHBondContact ND2-OE1 3.14Å; E381-G383 PolarHBondContact O-N 2.77Å |
| 382 | Q | 45.9 | Very low | 60.3 | Low | 91 Ų | 91 | 52.7 Ų | 52.7 | 43% | 0.425 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -0.7 | 173.9 | -55.8 | 74.6 | 43.9 | 0 | 0 | 114 | L380 C394 E404 | L380-Q382 VanDerWaalsContact CB-OE1 3.3Å; L380-Q382 PolarHBondContact O-N 2.9Å; Q382-C394 HydrophobicContact CB-CB 4.37Å; Q382-E404 VanDerWaalsContact CG-OE1 3.29Å; Q382-E404 WeakPolarHBondContact CG-OE1 3.32Å; Q382-E404 PolarHBondContact NE2-OE1 2.87Å |
| 383 | G | 49.7 | Very low | 59.4 | Low | 7 Ų | 7 | 55.5 Ų | 55.5 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 101 | -154.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | L380 E381 C385 | L380-G383 PolarHBondContact N-O 2.62Å; L380-G383 PolarHBondContact O-N 2.91Å; E381-G383 PolarHBondContact O-N 2.77Å; G383-C385 PolarHBondContact O-N 2.94Å; G383-C385 PolarHBondContact O-SG 3.34Å |
| 384 | H | 53.1 | Low | 58.6 | Low | 93 Ų | 93 | 53 Ų | 53 | 43% | 0.431 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 111.3 | 178.8 | -68.5 | -76.9 | 0 | 0 | 0 | 110.8 | Q377 P395 | Q377-H384 PolarHBondContact NE2-ND1 2.83Å; Q377-H384 VanDerWaalsContact NE2-ND1 3.17Å; H384-P395 WeakPolarHBondContact O-CD 3.44Å |
| 385 | C | 57 | Low | 57.5 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 155.9 | -179.1 | -48.3 | 0 | 0 | 0 | 0 | 111 | Q377 I378 L380 G383 I392 Y393 C394 | Q377-C385 CarbonylContact C-O 3.59Å; Q377-C385 WeakPolarHBondContact CA-O 3.43Å; I378-C385 HydrophobicContact CG2-CB 4.33Å; I378-C385 PolarHBondContact N-O 2.82Å; I378-C385 PolarHBondContact O-N 2.71Å; L380-C385 HydrophobicContact CD1-CB 4.23Å; G383-C385 PolarHBondContact O-N 2.94Å; G383-C385 PolarHBondContact O-SG 3.34Å; C385-I392 HydrophobicContact CB-CG2 3.63Å; C385-Y393 CarbonylContact C-O 3.48Å; C385-Y393 WeakPolarHBondContact CA-O 3.44Å; C385-C394 HydrophobicContact CB-CB 4.01Å; C385-C394 WeakPolarHBondContact CB-SG 3.19Å; C385-C394 WeakPolarHBondContact SG-CB 3.33Å; C385-C394 CovalentContact SG-SG 2.04Å; C385-C394 PolarHBondContact SG-SG 2.98Å |
| 386 | F | 60.9 | Low | 56.4 | Low | 47 Ų | 47 | 60.2 Ų | 60.2 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140.6 | -179 | -56.2 | -94.8 | 0 | 0 | 0 | 110 | P299 Q377 Y393 | P299-F386 HydrophobicContact CG-CE2 4.04Å; Q377-F386 HydrophobicContact CB-CD1 3.75Å; Q377-F386 HydrophobicContact CB-CE1 3.58Å; Q377-F386 HydrophobicContact CB-CZ 4.43Å; Q377-F386 HydrophobicContact CG-CD1 3.93Å; Q377-F386 HydrophobicContact CG-CE1 3.47Å; Q377-F386 VanDerWaalsContact CG-CE1 3.47Å; Q377-F386 HydrophobicContact CG-CZ 3.82Å; F386-Y393 PolarHBondContact N-O 3.12Å; F386-Y393 PolarHBondContact O-N 2.76Å |
| 387 | C | 65.3 | Low | 55.4 | Low | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 127.2 | 169.3 | 180 | 0 | 0 | 0 | 0 | 110.2 | C311 I372 Q373 G375 Q376 | C311-C387 HydrophobicContact CB-CB 3.82Å; C311-C387 WeakPolarHBondContact CB-SG 3.5Å; C311-C387 PolarHBondContact N-SG 2.91Å; C311-C387 WeakPolarHBondContact SG-CA 3.34Å; C311-C387 WeakPolarHBondContact SG-CB 3.33Å; C311-C387 CovalentContact SG-SG 2.03Å; C311-C387 PolarHBondContact SG-SG 3.28Å; I372-C387 HydrophobicContact CG2-CB 4.01Å; Q373-C387 WeakPolarHBondContact O-CB 3.43Å; G375-C387 VanDerWaalsContact CA-O 3.31Å; G375-C387 WeakPolarHBondContact CA-O 3.33Å; G375-C387 PolarHBondContact N-O 2.62Å; Q376-C387 PolarHBondContact O-N 3.05Å |
| 388 | L | 61.5 | Low | 54 | Low | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 119.2 | 166.2 | -59.1 | 168.6 | 0 | 0 | 0 | 108.4 | I296 S391 Y393 | I296-L388 HydrophobicContact CB-CD2 4.5Å; I296-L388 HydrophobicContact CD1-CD2 4.07Å; L388-S391 PolarHBondContact N-O 2.9Å; L388-S391 PolarHBondContact O-N 3.36Å; L388-S391 VanDerWaalsContact O-O 3.09Å; L388-Y393 HydrophobicContact CB-CD2 3.69Å; L388-Y393 HydrophobicContact CB-CE2 3.76Å; L388-Y393 HydrophobicContact CD1-CD2 3.82Å; L388-Y393 HydrophobicContact CD1-CE2 4.35Å; L388-Y393 HydrophobicContact CD1-CG 4.46Å; L388-Y393 HydrophobicContact CG-CD2 4.02Å |
| 389 | N | 67.1 | Low | 52.5 | Low | 77 Ų | 77 | 65.6 Ų | 65.6 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.4 | 70.1 | 177.5 | -160.3 | 5.4 | 0 | 0 | 0 | 114.1 | R306 S391 | R306-N389 PolarHBondContact O-N 3.29Å; R306-N389 VanDerWaalsContact O-N 3.11Å; N389-S391 PolarHBondContact O-N 2.84Å |
| 390 | A | 66.7 | Low | 51.2 | Low | 41 Ų | 41 | 69.2 Ų | 69.2 | 34% | 0.339 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | -5.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | Q309 | Q309-A390 HydrophobicContact CB-CB 3.77Å; Q309-A390 PolarHBondContact O-N 3.01Å |
| 391 | S | 60.1 | Low | 50.1 | Low | 53 Ų | 53 | 70.3 Ų | 70.3 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.1 | -179 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | C311 L388 N389 Y393 | C311-S391 VanDerWaalsContact SG-C 3.54Å; C311-S391 PolarHBondContact SG-N 2.05Å; C311-S391 VanDerWaalsContact SG-N 3.42Å; C311-S391 PolarHBondContact SG-O 2.97Å; C311-S391 VanDerWaalsContact SG-O 3.38Å; L388-S391 PolarHBondContact N-O 2.9Å; L388-S391 PolarHBondContact O-N 3.36Å; L388-S391 VanDerWaalsContact O-O 3.09Å; N389-S391 PolarHBondContact O-N 2.84Å; S391-Y393 VanDerWaalsContact CB-CE2 3.49Å; S391-Y393 WeakPolarHBondContact O-CD2 3.31Å |
| 392 | I | 64.9 | Low | 49.4 | Very low | 62 Ų | 62 | 69.8 Ų | 69.8 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.1 | 176.3 | -54.3 | 121.9 | 0 | 0 | 0 | 108.9 | C311 V313 L380 C385 | C311-I392 HydrophobicContact CB-CD1 4.47Å; C311-I392 HydrophobicContact CB-CG1 3.92Å; V313-I392 HydrophobicContact CG2-CD1 3.65Å; V313-I392 HydrophobicContact CG2-CG1 3.84Å; L380-I392 HydrophobicContact CD1-CG2 4.05Å; C385-I392 HydrophobicContact CB-CG2 3.63Å |
| 393 | Y | 53.8 | Low | 49.2 | Very low | 67 Ų | 67 | 70.1 Ų | 70.1 | 26% | 0.263 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 113.7 | 176.6 | -65 | -77.1 | 0 | 0 | 0 | 110.4 | I262 C385 F386 L388 S391 | I262-Y393 HydrophobicContact CG2-CD1 4.15Å; I262-Y393 HydrophobicContact CG2-CE1 3.39Å; C385-Y393 CarbonylContact C-O 3.48Å; C385-Y393 WeakPolarHBondContact CA-O 3.44Å; F386-Y393 PolarHBondContact N-O 3.12Å; F386-Y393 PolarHBondContact O-N 2.76Å; L388-Y393 HydrophobicContact CB-CD2 3.69Å; L388-Y393 HydrophobicContact CB-CE2 3.76Å; L388-Y393 HydrophobicContact CD1-CD2 3.82Å; L388-Y393 HydrophobicContact CD1-CE2 4.35Å; L388-Y393 HydrophobicContact CD1-CG 4.46Å; L388-Y393 HydrophobicContact CG-CD2 4.02Å; S391-Y393 VanDerWaalsContact CB-CE2 3.49Å; S391-Y393 WeakPolarHBondContact O-CD2 3.31Å |
| 394 | C | 52.9 | Low | 49.2 | Very low | 39 Ų | 39 | 73.5 Ų | 73.5 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -96.2 | 143.4 | 165.6 | -47 | 0 | 0 | 0 | 0 | 108.3 | Q382 C385 R396 | Q382-C394 HydrophobicContact CB-CB 4.37Å; C385-C394 HydrophobicContact CB-CB 4.01Å; C385-C394 WeakPolarHBondContact CB-SG 3.19Å; C385-C394 WeakPolarHBondContact SG-CB 3.33Å; C385-C394 CovalentContact SG-SG 2.04Å; C385-C394 PolarHBondContact SG-SG 2.98Å; C394-R396 PolarHBondContact O-N 3.37Å |
| 395 | P | 44.6 | Very low | 49.1 | Very low | 31 Ų | 31 | 74.3 Ų | 74.3 | 20% | 0.201 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -60 | 133.2 | 179.4 | 22.2 | -31.1 | 0 | 0 | 0 | 111.6 | P299 H384 I401 | P299-P395 HydrophobicContact CB-CB 3.99Å; P299-P395 HydrophobicContact CG-CB 4Å; P299-P395 HydrophobicContact CG-CG 4.41Å; H384-P395 WeakPolarHBondContact O-CD 3.44Å; P395-I401 HydrophobicContact CB-CD1 3.94Å; P395-I401 HydrophobicContact CG-CG2 4.48Å |
| 396 | R | 36.1 | Very low | 49.3 | Very low | 148 Ų | 148 | 74.9 Ų | 74.9 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 140.1 | 170.5 | -67.2 | -175.1 | -176.7 | -175.3 | -0.3 | 110.1 | F300 C394 G398 I401 | F300-R396 HydrophobicContact CZ-CB 4.35Å; F300-R396 WeakPolarHBondContact CZ-O 3.38Å; C394-R396 PolarHBondContact O-N 3.37Å; R396-G398 PolarHBondContact O-N 3.42Å; R396-I401 WeakPolarHBondContact O-CD1 3.31Å |
| 397 | P | 37.1 | Very low | 49.9 | Very low | 49 Ų | 49 | 72.7 Ų | 72.7 | 32% | 0.318 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 120.6 | -177.1 | 28.3 | -32.9 | 0 | 0 | 0 | 114.2 | I401 H403 | P397-I401 HydrophobicContact CB-CB 3.76Å; P397-I401 HydrophobicContact CB-CG2 3.94Å; P397-I401 WeakPolarHBondContact CB-O 3.29Å; P397-H403 WeakPolarHBondContact CD-CE1 3.49Å; P397-H403 VanDerWaalsContact CD-NE2 3.29Å; P397-H403 WeakPolarHBondContact CD-NE2 3.27Å; P397-H403 VanDerWaalsContact CG-CD2 3.44Å; P397-H403 WeakPolarHBondContact CG-CD2 3.35Å; P397-H403 VanDerWaalsContact CG-CE1 3.42Å; P397-H403 WeakPolarHBondContact CG-CE1 3.32Å; P397-H403 WeakPolarHBondContact CG-NE2 3.17Å |
| 398 | G | 27.9 | Very low | 50.1 | Low | 54 Ų | 54 | 76.8 Ų | 76.8 | 56% | 0.557 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -118.8 | 142.9 | 134.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | R396 | R396-G398 PolarHBondContact O-N 3.42Š|
| 399 | R | 29.1 | Very low | 50.6 | Low | 248 Ų | 248 | 76.7 Ų | 76.7 | 94% | 0.936 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 20 | 104.7 | 176.8 | -68.7 | -175.3 | 176 | -176.8 | -1.5 | 116.1 | ||
| 400 | L | 30.7 | Very low | 50.6 | Low | 174 Ų | 174 | 77.8 Ų | 77.8 | 91% | 0.911 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 90.9 | 27.7 | 177.2 | -50.7 | 170.1 | 0 | 0 | 0 | 116.7 | ||
| 401 | I | 36 | Very low | 50.4 | Low | 50 Ų | 50 | 80.1 Ų | 80.1 | 26% | 0.256 | 40% | 0.395 | S | S | . | . | trans | -132.1 | 143.8 | 165.3 | -62.3 | 150.4 | 0 | 0 | 0 | 107.2 | P395 R396 P397 | P395-I401 HydrophobicContact CB-CD1 3.94Å; P395-I401 HydrophobicContact CG-CG2 4.48Å; R396-I401 WeakPolarHBondContact O-CD1 3.31Å; P397-I401 HydrophobicContact CB-CB 3.76Å; P397-I401 HydrophobicContact CB-CG2 3.94Å; P397-I401 WeakPolarHBondContact CB-O 3.29Å | ||
| 402 | W | 38 | Very low | 50.1 | Low | 118 Ų | 118 | 81 Ų | 81 | 45% | 0.447 | 41% | 0.411 | S | S | . | . | trans | -104.5 | 154.3 | -177.4 | 55.1 | 79.6 | 0 | 0 | 0 | 112.2 | D406 Y417 | W402-D406 WeakPolarHBondContact CA-OD2 3.47Å; W402-Y417 HydrophobicContact CB-CD1 3.9Å; W402-Y417 HydrophobicContact CB-CD2 4.48Å; W402-Y417 HydrophobicContact CB-CE1 4.24Å; W402-Y417 HydrophobicContact CB-CG 4.04Å | ||
| 403 | H | 40.7 | Very low | 49.7 | Very low | 98 Ų | 98 | 85.7 Ų | 85.7 | 45% | 0.454 | 43% | 0.432 | S | S | . | . | trans | -112.8 | 162.7 | 168.4 | -79.3 | -43.3 | 0 | 0 | 0 | 113.1 | P397 D405 D406 | P397-H403 WeakPolarHBondContact CD-CE1 3.49Å; P397-H403 VanDerWaalsContact CD-NE2 3.29Å; P397-H403 WeakPolarHBondContact CD-NE2 3.27Å; P397-H403 VanDerWaalsContact CG-CD2 3.44Å; P397-H403 WeakPolarHBondContact CG-CD2 3.35Å; P397-H403 VanDerWaalsContact CG-CE1 3.42Å; P397-H403 WeakPolarHBondContact CG-CE1 3.32Å; P397-H403 WeakPolarHBondContact CG-NE2 3.17Å; H403-D405 PolarHBondContact O-N 3.06Å; H403-D406 PolarHBondContact N-OD2 2.85Å; H403-D406 PolarHBondContact O-N 3.28Å | ||
| 404 | E | 48.9 | Very low | 49.8 | Very low | 78 Ų | 78 | 84.3 Ų | 84.3 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -9.1 | 172.7 | -77.3 | 179.8 | -153.6 | 0 | 0 | 115 | Q382 R440 | Q382-E404 VanDerWaalsContact CG-OE1 3.29Å; Q382-E404 WeakPolarHBondContact CG-OE1 3.32Å; Q382-E404 PolarHBondContact NE2-OE1 2.87Å; E404-R440 PolarHBondContact O-NE 2.96Å; E404-R440 PolarHBondContact O-NH2 3.5Å |
| 405 | D | 52.9 | Low | 50 | Low | 110 Ų | 110 | 87.7 Ų | 87.7 | 59% | 0.588 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -5.7 | 174 | -68.3 | -46 | 0 | 0 | 0 | 112.7 | H403 V420 | H403-D405 PolarHBondContact O-N 3.06Å; D405-V420 HydrophobicContact CB-CG2 3.88Å; D405-V420 WeakPolarHBondContact O-CG2 3.05Å |
| 406 | D | 60.2 | Low | 50.8 | Low | 12 Ų | 12 | 87 Ų | 87 | 6% | 0.064 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 139.6 | -177.1 | -71.4 | -8 | 0 | 0 | 0 | 111.6 | W402 H403 F408 H418 A419 R440 | W402-D406 WeakPolarHBondContact CA-OD2 3.47Å; H403-D406 PolarHBondContact N-OD2 2.85Å; H403-D406 PolarHBondContact O-N 3.28Å; D406-F408 PolarHBondContact O-N 2.85Å; D406-H418 CarbonylContact C-O 3.58Å; D406-H418 WeakPolarHBondContact CA-O 3.29Å; D406-A419 WeakPolarHBondContact OD1-CA 3.5Å; D406-A419 WeakPolarHBondContact OD1-CB 3.3Å; D406-R440 WeakPolarHBondContact O-CG 3.49Å |
| 407 | C | 72.9 | Confident | 52.1 | Low | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 125.9 | 168 | -61 | 0 | 0 | 0 | 0 | 109.8 | Y417 H418 W424 C436 R440 T441 Y442 | C407-Y417 WeakPolarHBondContact O-CA 3.38Å; C407-H418 PolarHBondContact N-O 3.4Å; C407-H418 PolarHBondContact O-N 3.39Å; C407-W424 HydrophobicContact CB-CH2 4.43Å; C407-C436 HydrophobicContact CB-CB 3.67Å; C407-C436 WeakPolarHBondContact CB-SG 3.29Å; C407-C436 PolarHBondContact N-SG 3.44Å; C407-C436 WeakPolarHBondContact SG-CA 3.48Å; C407-C436 WeakPolarHBondContact SG-CB 3.45Å; C407-C436 CovalentContact SG-SG 2.03Å; C407-C436 PolarHBondContact SG-SG 3.27Å; C407-R440 PolarHBondContact SG-O 3.49Å; C407-T441 VanDerWaalsContact SG-C 3.56Å; C407-T441 PolarHBondContact SG-O 3.25Å; C407-Y442 HydrophobicContact CB-CD1 4.4Å |
| 408 | F | 70.5 | Confident | 53.5 | Low | 88 Ų | 88 | 85.2 Ų | 85.2 | 39% | 0.386 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 119.9 | 168.8 | 179 | -111.8 | 0 | 0 | 0 | 109.6 | D406 M410 I415 Y417 Y442 | D406-F408 PolarHBondContact O-N 2.85Å; F408-M410 HydrophobicContact CD1-CB 4.46Å; F408-M410 HydrophobicContact CE1-CB 3.73Å; F408-M410 HydrophobicContact CE1-SD 4.13Å; F408-M410 HydrophobicContact CZ-CB 3.98Å; F408-M410 HydrophobicContact CZ-SD 4.12Å; F408-I415 HydrophobicContact CE2-CG2 3.51Å; F408-I415 HydrophobicContact CZ-CG2 3.9Å; F408-Y417 HydrophobicContact CB-CD1 4.47Å; F408-Y417 HydrophobicContact CB-CE1 4.24Å; F408-Y417 HydrophobicContact CD2-CD1 4.1Å; F408-Y417 AromaticContact CD2-CE1 3.51Å; F408-Y417 HydrophobicContact CD2-CE1 3.51Å; F408-Y417 HydrophobicContact CD2-CE2 4Å; F408-Y417 AromaticContact CD2-CZ 3.45Å; F408-Y417 VanDerWaalsContact CD2-CZ 3.45Å; F408-Y417 HydrophobicContact CE2-CE1 4.31Å; F408-Y417 HydrophobicContact CE2-CE2 4.14Å; F408-Y417 AromaticContact CE2-CZ 3.78Å; F408-Y417 HydrophobicContact CG-CE1 4.31Å; F408-Y442 VanDerWaalsContact O-CE1 3.23Å; F408-Y442 WeakPolarHBondContact O-CE1 3.05Å |
| 409 | Y | 71.7 | Confident | 55.1 | Low | 13 Ų | 13 | 84.7 Ų | 84.7 | 5% | 0.051 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.5 | 174.8 | -176.6 | -107.8 | 0 | 0 | 0 | 110.2 | D411 I415 S416 H418 W424 P426 Y442 | Y409-D411 HydrophobicContact CE1-CB 4.09Å; Y409-D411 WeakPolarHBondContact OH-CB 3.46Å; Y409-D411 PolarHBondContact OH-OD2 3.36Å; Y409-I415 WeakPolarHBondContact O-CA 3.37Å; Y409-S416 PolarHBondContact N-O 3.23Å; Y409-S416 PolarHBondContact O-N 3.17Å; Y409-H418 AromaticContact CD1-NE2 3.91Å; Y409-W424 AromaticContact CD1-NE1 3.45Å; Y409-W424 AromaticContact CD2-CZ2 3.69Å; Y409-W424 HydrophobicContact CD2-CZ2 3.69Å; Y409-W424 AromaticContact CD2-NE1 3.88Å; Y409-W424 AromaticContact CE1-NE1 3.8Å; Y409-W424 AromaticContact CG-CE2 3.87Å; Y409-W424 AromaticContact CG-CZ2 3.69Å; Y409-W424 HydrophobicContact CG-CZ2 3.69Å; Y409-W424 AromaticContact CG-NE1 3.5Å; Y409-P426 HydrophobicContact CE1-CB 3.81Å; Y409-P426 HydrophobicContact CE1-CG 3.92Å; Y409-P426 HydrophobicContact CE2-CG 4.39Å; Y409-P426 WeakPolarHBondContact OH-CB 3.27Å; Y409-P426 WeakPolarHBondContact OH-CG 3.35Å; Y409-Y442 HydrophobicContact CD2-CD2 4.24Å; Y409-Y442 HydrophobicContact CD2-CE1 4.15Å; Y409-Y442 AromaticContact CD2-CE2 3.76Å; Y409-Y442 HydrophobicContact CD2-CE2 3.76Å; Y409-Y442 AromaticContact CD2-CZ 3.71Å; Y409-Y442 AromaticContact CE2-CE2 3.98Å; Y409-Y442 HydrophobicContact CE2-CE2 3.98Å |
| 410 | M | 66.3 | Low | 57 | Low | 101 Ų | 101 | 75.9 Ų | 75.9 | 50% | 0.498 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 123.4 | 178.4 | -179.6 | 175.5 | -176.6 | 0 | 0 | 109.7 | F408 E414 I415 | F408-M410 HydrophobicContact CD1-CB 4.46Å; F408-M410 HydrophobicContact CE1-CB 3.73Å; F408-M410 HydrophobicContact CE1-SD 4.13Å; F408-M410 HydrophobicContact CZ-CB 3.98Å; F408-M410 HydrophobicContact CZ-SD 4.12Å; M410-E414 WeakPolarHBondContact CA-O 3.26Å; M410-I415 HydrophobicContact CE-CD1 4.42Å; M410-I415 HydrophobicContact CG-CG1 4.19Å |
| 411 | D | 63.5 | Low | 58.9 | Low | 90 Ų | 90 | 69.8 Ų | 69.8 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | trans | -132.3 | 47.8 | 179.7 | -166.3 | 16.2 | 0 | 0 | 0 | 111.7 | Y409 Q413 E414 | Y409-D411 HydrophobicContact CE1-CB 4.09Å; Y409-D411 WeakPolarHBondContact OH-CB 3.46Å; Y409-D411 PolarHBondContact OH-OD2 3.36Å; D411-Q413 PolarHBondContact O-N 3.24Å; D411-E414 PolarHBondContact N-O 3.41Å; D411-E414 VanDerWaalsContact N-O 3.14Å | ||
| 412 | G | 53.3 | Low | 60.5 | Low | 70 Ų | 70 | 70.1 Ų | 70.1 | 72% | 0.722 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 68.8 | -32.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 413 | Q | 57.4 | Low | 62.3 | Low | 162 Ų | 162 | 72 Ų | 72 | 76% | 0.757 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -117.3 | -30.8 | -178.2 | -59.6 | -172.9 | 11.1 | 0 | 0 | 113.1 | D411 | D411-Q413 PolarHBondContact O-N 3.24Š|
| 414 | E | 55.1 | Low | 63.8 | Low | 37 Ų | 37 | 68.1 Ų | 68.1 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | trans | -107.6 | 140.7 | 172.7 | -177.1 | 175.1 | 165.9 | 0 | 0 | 110.4 | M410 D411 S416 H418 S427 | M410-E414 WeakPolarHBondContact CA-O 3.26Å; D411-E414 PolarHBondContact N-O 3.41Å; D411-E414 VanDerWaalsContact N-O 3.14Å; E414-S416 WeakPolarHBondContact OE1-CB 3.35Å; E414-S416 PolarHBondContact OE1-OG 3.01Å; E414-H418 IonicContact OE1-NE2 2.7Å; E414-S427 WeakPolarHBondContact OE2-CB 3.43Å; E414-S427 PolarHBondContact OE2-N 3.45Å; E414-S427 PolarHBondContact OE2-OG 2.84Å | ||
| 415 | I | 57.8 | Low | 64.8 | Low | 110 Ų | 110 | 68.5 Ų | 68.5 | 56% | 0.564 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.1 | 167.4 | -58.8 | 176.5 | 0 | 0 | 0 | 106.7 | F408 Y409 M410 | F408-I415 HydrophobicContact CE2-CG2 3.51Å; F408-I415 HydrophobicContact CZ-CG2 3.9Å; Y409-I415 WeakPolarHBondContact O-CA 3.37Å; M410-I415 HydrophobicContact CE-CD1 4.42Å; M410-I415 HydrophobicContact CG-CG1 4.19Å |
| 416 | S | 61.8 | Low | 65.5 | Low | 18 Ų | 18 | 63.4 Ų | 63.4 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 153.8 | -177.7 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | Y409 E414 H418 | Y409-S416 PolarHBondContact N-O 3.23Å; Y409-S416 PolarHBondContact O-N 3.17Å; E414-S416 WeakPolarHBondContact OE1-CB 3.35Å; E414-S416 PolarHBondContact OE1-OG 3.01Å; S416-H418 WeakPolarHBondContact CB-NE2 3.14Å; S416-H418 PolarHBondContact OG-NE2 3.04Å |
| 417 | Y | 63.1 | Low | 65.6 | Low | 118 Ų | 118 | 65.9 Ų | 65.9 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.1 | 177.1 | -67.9 | -95.1 | 0 | 0 | 0 | 109.2 | W402 C407 F408 | W402-Y417 HydrophobicContact CB-CD1 3.9Å; W402-Y417 HydrophobicContact CB-CD2 4.48Å; W402-Y417 HydrophobicContact CB-CE1 4.24Å; W402-Y417 HydrophobicContact CB-CG 4.04Å; C407-Y417 WeakPolarHBondContact O-CA 3.38Å; F408-Y417 HydrophobicContact CB-CD1 4.47Å; F408-Y417 HydrophobicContact CB-CE1 4.24Å; F408-Y417 HydrophobicContact CD2-CD1 4.1Å; F408-Y417 AromaticContact CD2-CE1 3.51Å; F408-Y417 HydrophobicContact CD2-CE1 3.51Å; F408-Y417 HydrophobicContact CD2-CE2 4Å; F408-Y417 AromaticContact CD2-CZ 3.45Å; F408-Y417 VanDerWaalsContact CD2-CZ 3.45Å; F408-Y417 HydrophobicContact CE2-CE1 4.31Å; F408-Y417 HydrophobicContact CE2-CE2 4.14Å; F408-Y417 AromaticContact CE2-CZ 3.78Å; F408-Y417 HydrophobicContact CG-CE1 4.31Å |
| 418 | H | 65.9 | Low | 64.8 | Low | 41 Ų | 41 | 73.6 Ų | 73.6 | 19% | 0.19 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 122.8 | -172.5 | -65.2 | -79.7 | 0 | 0 | 0 | 110.6 | D406 C407 Y409 E414 S416 W424 C436 | D406-H418 CarbonylContact C-O 3.58Å; D406-H418 WeakPolarHBondContact CA-O 3.29Å; C407-H418 PolarHBondContact N-O 3.4Å; C407-H418 PolarHBondContact O-N 3.39Å; Y409-H418 AromaticContact CD1-NE2 3.91Å; E414-H418 IonicContact OE1-NE2 2.7Å; S416-H418 WeakPolarHBondContact CB-NE2 3.14Å; S416-H418 PolarHBondContact OG-NE2 3.04Å; H418-W424 HydrophobicContact CB-CD2 4.35Å; H418-W424 HydrophobicContact CB-CE3 3.65Å; H418-W424 HydrophobicContact CB-CH2 3.95Å; H418-W424 HydrophobicContact CB-CZ3 3.41Å; H418-W424 VanDerWaalsContact CB-CZ3 3.41Å; H418-W424 AromaticContact CD2-CD2 3.56Å; H418-W424 AromaticContact CD2-CE2 3.51Å; H418-W424 AromaticContact CD2-CE3 3.75Å; H418-W424 AromaticContact CD2-CH2 3.86Å; H418-W424 AromaticContact CD2-CZ2 3.7Å; H418-W424 AromaticContact CD2-CZ3 3.89Å; H418-W424 WeakPolarHBondContact CE1-CB 3.24Å; H418-W424 AromaticContact CE1-CD1 3.71Å; H418-W424 AromaticContact CE1-CD2 3.98Å; H418-W424 AromaticContact CE1-CG 3.36Å; H418-W424 AromaticContact CG-CD2 3.55Å; H418-W424 AromaticContact CG-CE2 3.97Å; H418-W424 AromaticContact CG-CE3 3.31Å; H418-W424 AromaticContact CG-CH2 3.95Å; H418-W424 AromaticContact CG-CZ3 3.52Å; H418-W424 AromaticContact ND1-CD2 3.53Å; H418-W424 AromaticContact ND1-CE3 3.48Å; H418-W424 AromaticContact ND1-CG 3.7Å; H418-W424 AromaticContact NE2-CD1 3.57Å; H418-W424 AromaticContact NE2-CE2 3.79Å; H418-W424 AromaticContact NE2-CG 3.89Å; H418-W424 AromaticContact NE2-NE1 3.5Å; H418-C436 HydrophobicContact CB-CB 4.34Å; H418-C436 PolarHBondContact O-SG 3.17Å |
| 419 | A | 60.6 | Low | 64.4 | Low | 42 Ų | 42 | 72 Ų | 72 | 35% | 0.347 | 39% | 0.388 | S | S | . | . | trans | -67 | 151.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D406 G421 T422 C436 | D406-A419 WeakPolarHBondContact OD1-CA 3.5Å; D406-A419 WeakPolarHBondContact OD1-CB 3.3Å; A419-G421 PolarHBondContact O-N 3.33Å; A419-T422 HydrophobicContact CB-CG2 3.96Å; A419-T422 PolarHBondContact N-OG1 3.48Å; A419-T422 VanDerWaalsContact O-CB 3.27Å; A419-T422 WeakPolarHBondContact O-CB 3.09Å; A419-T422 WeakPolarHBondContact O-CG2 3.15Å; A419-T422 PolarHBondContact O-N 2.73Å; A419-T422 PolarHBondContact O-OG1 2.82Å; A419-C436 WeakPolarHBondContact O-CB 3.46Å | ||
| 420 | V | 69.4 | Low | 63.8 | Low | 64 Ų | 64 | 77.9 Ų | 77.9 | 39% | 0.388 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 130.2 | -178.7 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | D405 T422 I438 | D405-V420 HydrophobicContact CB-CG2 3.88Å; D405-V420 WeakPolarHBondContact O-CG2 3.05Å; V420-T422 VanDerWaalsContact C-N 3.26Å; V420-T422 PolarHBondContact O-N 3.48Å; V420-I438 HydrophobicContact CG1-CG1 3.8Å |
| 421 | G | 70.9 | Confident | 63.5 | Low | 46 Ų | 46 | 74.3 Ų | 74.3 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -11 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A419 C436 | A419-G421 PolarHBondContact O-N 3.33Å; G421-C436 WeakPolarHBondContact CA-O 3.5Å; G421-C436 PolarHBondContact N-O 2.84Å |
| 422 | T | 69.3 | Low | 63.8 | Low | 57 Ų | 57 | 70.7 Ų | 70.7 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | trans | -68.8 | 148.9 | 172 | 65 | 0 | 0 | 0 | 0 | 110.9 | A419 V420 I435 C436 | A419-T422 HydrophobicContact CB-CG2 3.96Å; A419-T422 PolarHBondContact N-OG1 3.48Å; A419-T422 VanDerWaalsContact O-CB 3.27Å; A419-T422 WeakPolarHBondContact O-CB 3.09Å; A419-T422 WeakPolarHBondContact O-CG2 3.15Å; A419-T422 PolarHBondContact O-N 2.73Å; A419-T422 PolarHBondContact O-OG1 2.82Å; V420-T422 VanDerWaalsContact C-N 3.26Å; V420-T422 PolarHBondContact O-N 3.48Å; T422-I435 WeakPolarHBondContact O-CA 3.29Å; T422-C436 PolarHBondContact O-N 2.86Å | ||
| 423 | R | 77.4 | Confident | 64.9 | Low | 157 Ų | 157 | 69 Ų | 69 | 59% | 0.592 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 138.5 | 177.1 | -52.1 | -168.1 | -165.7 | 169.4 | 4.5 | 109.8 | E433 C434 I435 | R423-E433 WeakPolarHBondContact CD-OE1 3.02Å; R423-E433 IonicContact CZ-OE1 3.05Å; R423-E433 IonicContact NE-OE1 3.91Å; R423-E433 IonicContact NH1-OE1 2.81Å; R423-E433 PolarHBondContact NH1-OE1 2.86Å; R423-C434 CarbonylContact C-O 3.58Å; R423-C434 WeakPolarHBondContact CA-O 3.22Å; R423-I435 HydrophobicContact CG-CB 4.1Å; R423-I435 HydrophobicContact CG-CD1 4Å; R423-I435 HydrophobicContact CG-CG1 3.93Å |
| 424 | W | 72.1 | Confident | 66.1 | Low | 16 Ų | 16 | 61.3 Ų | 61.3 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 167.2 | 175 | 71.2 | 104.3 | 0 | 0 | 0 | 110.6 | C407 Y409 H418 C434 C436 Y442 | C407-W424 HydrophobicContact CB-CH2 4.43Å; Y409-W424 AromaticContact CD1-NE1 3.45Å; Y409-W424 AromaticContact CD2-CZ2 3.69Å; Y409-W424 HydrophobicContact CD2-CZ2 3.69Å; Y409-W424 AromaticContact CD2-NE1 3.88Å; Y409-W424 AromaticContact CE1-NE1 3.8Å; Y409-W424 AromaticContact CG-CE2 3.87Å; Y409-W424 AromaticContact CG-CZ2 3.69Å; Y409-W424 HydrophobicContact CG-CZ2 3.69Å; Y409-W424 AromaticContact CG-NE1 3.5Å; H418-W424 HydrophobicContact CB-CD2 4.35Å; H418-W424 HydrophobicContact CB-CE3 3.65Å; H418-W424 HydrophobicContact CB-CH2 3.95Å; H418-W424 HydrophobicContact CB-CZ3 3.41Å; H418-W424 VanDerWaalsContact CB-CZ3 3.41Å; H418-W424 AromaticContact CD2-CD2 3.56Å; H418-W424 AromaticContact CD2-CE2 3.51Å; H418-W424 AromaticContact CD2-CE3 3.75Å; H418-W424 AromaticContact CD2-CH2 3.86Å; H418-W424 AromaticContact CD2-CZ2 3.7Å; H418-W424 AromaticContact CD2-CZ3 3.89Å; H418-W424 WeakPolarHBondContact CE1-CB 3.24Å; H418-W424 AromaticContact CE1-CD1 3.71Å; H418-W424 AromaticContact CE1-CD2 3.98Å; H418-W424 AromaticContact CE1-CG 3.36Å; H418-W424 AromaticContact CG-CD2 3.55Å; H418-W424 AromaticContact CG-CE2 3.97Å; H418-W424 AromaticContact CG-CE3 3.31Å; H418-W424 AromaticContact CG-CH2 3.95Å; H418-W424 AromaticContact CG-CZ3 3.52Å; H418-W424 AromaticContact ND1-CD2 3.53Å; H418-W424 AromaticContact ND1-CE3 3.48Å; H418-W424 AromaticContact ND1-CG 3.7Å; H418-W424 AromaticContact NE2-CD1 3.57Å; H418-W424 AromaticContact NE2-CE2 3.79Å; H418-W424 AromaticContact NE2-CG 3.89Å; H418-W424 AromaticContact NE2-NE1 3.5Å; W424-C434 HydrophobicContact CD2-CB 3.8Å; W424-C434 VanDerWaalsContact CE2-CB 3.42Å; W424-C434 HydrophobicContact CE3-CB 4.19Å; W424-C434 HydrophobicContact CG-CB 4.43Å; W424-C434 HydrophobicContact CH2-CB 3.97Å; W424-C434 HydrophobicContact CZ2-CB 3.5Å; W424-C434 HydrophobicContact CZ3-CB 4.27Å; W424-C434 PolarHBondContact N-O 3.04Å; W424-C434 PolarHBondContact O-N 2.76Å; W424-C436 HydrophobicContact CH2-CB 4.47Å; W424-C436 HydrophobicContact CZ3-CB 3.96Å; W424-Y442 HydrophobicContact CH2-CG 4.07Å; W424-Y442 HydrophobicContact CZ2-CD2 4.36Å; W424-Y442 HydrophobicContact CZ2-CG 4.2Å |
| 425 | I | 68.9 | Low | 67.5 | Low | 87 Ų | 87 | 62 Ų | 62 | 45% | 0.446 | 32% | 0.323 | S | S | . | . | trans | -117.2 | 124.4 | 169.5 | -62.8 | 172.7 | 0 | 0 | 0 | 104.6 | ||||
| 426 | P | 67.2 | Low | 68.6 | Low | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | trans | -56.7 | 150.8 | 176.9 | -27.4 | 37 | 0 | 0 | 0 | 112.8 | Y409 F428 D429 T432 | Y409-P426 HydrophobicContact CE1-CB 3.81Å; Y409-P426 HydrophobicContact CE1-CG 3.92Å; Y409-P426 HydrophobicContact CE2-CG 4.39Å; Y409-P426 WeakPolarHBondContact OH-CB 3.27Å; Y409-P426 WeakPolarHBondContact OH-CG 3.35Å; P426-F428 PolarHBondContact O-N 2.65Å; P426-D429 HydrophobicContact CB-CB 4.28Å; P426-T432 WeakPolarHBondContact CD-O 3.49Å | ||
| 427 | S | 63.1 | Low | 69.4 | Low | 63 Ų | 63 | 59.9 Ų | 59.9 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -56.8 | 134.9 | 165.3 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | E414 D429 | E414-S427 WeakPolarHBondContact OE2-CB 3.43Å; E414-S427 PolarHBondContact OE2-N 3.45Å; E414-S427 PolarHBondContact OE2-OG 2.84Å; S427-D429 PolarHBondContact O-N 3.09Å |
| 428 | F | 55.7 | Low | 69.9 | Low | 162 Ų | 162 | 60 Ų | 60 | 71% | 0.711 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 67.9 | -43.4 | -176.1 | -51.9 | -78.9 | 0 | 0 | 0 | 116.2 | P426 H430 | P426-F428 PolarHBondContact O-N 2.65Å; F428-H430 PolarHBondContact O-N 2.92Å; F428-H430 PolarHBondContact O-ND1 3.35Å |
| 429 | D | 61.6 | Low | 70.2 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | trans | -80.7 | 69 | 171.3 | -167.3 | 6.3 | 0 | 0 | 0 | 112.9 | P426 S427 C431 T432 | P426-D429 HydrophobicContact CB-CB 4.28Å; S427-D429 PolarHBondContact O-N 3.09Å; D429-C431 PolarHBondContact O-N 3.25Å; D429-C431 WeakPolarHBondContact OD1-CA 2.76Å; D429-C431 WeakPolarHBondContact OD1-CB 3.34Å; D429-C431 PolarHBondContact OD1-N 2.79Å; D429-T432 VanDerWaalsContact CG-OG1 3.29Å; D429-T432 PolarHBondContact O-N 2.92Å; D429-T432 PolarHBondContact OD1-OG1 2.81Å; D429-T432 WeakPolarHBondContact OD2-CB 3.41Å; D429-T432 PolarHBondContact OD2-OG1 3.43Å | ||
| 430 | H | 60.4 | Low | 70.3 | Confident | 136 Ų | 136 | 69 Ų | 69 | 63% | 0.63 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -6 | 173.2 | -62.6 | 75.1 | 0 | 0 | 0 | 113.4 | F428 | F428-H430 PolarHBondContact O-N 2.92Å; F428-H430 PolarHBondContact O-ND1 3.35Å |
| 431 | C | 58.3 | Low | 70.4 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -14.7 | -177.4 | -142.9 | 0 | 0 | 0 | 0 | 113.1 | D429 R446 Q447 C468 | D429-C431 PolarHBondContact O-N 3.25Å; D429-C431 WeakPolarHBondContact OD1-CA 2.76Å; D429-C431 WeakPolarHBondContact OD1-CB 3.34Å; D429-C431 PolarHBondContact OD1-N 2.79Å; C431-R446 CarbonylContact O-C 3.58Å; C431-R446 VanDerWaalsContact O-CA 3.27Å; C431-R446 WeakPolarHBondContact O-CA 3.49Å; C431-Q447 PolarHBondContact O-N 3.4Å; C431-C468 WeakPolarHBondContact CA-SG 3.38Å; C431-C468 HydrophobicContact CB-CB 3.54Å; C431-C468 WeakPolarHBondContact CB-SG 3.11Å; C431-C468 WeakPolarHBondContact SG-CB 3.14Å; C431-C468 CovalentContact SG-SG 2.03Å; C431-C468 PolarHBondContact SG-SG 2.04Å |
| 432 | T | 70.3 | Confident | 70.9 | Confident | 15 Ų | 15 | 71.9 Ų | 71.9 | 9% | 0.092 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.8 | -166.6 | -67.2 | 0 | 0 | 0 | 0 | 110.9 | P426 D429 C444 K445 | P426-T432 WeakPolarHBondContact CD-O 3.49Å; D429-T432 VanDerWaalsContact CG-OG1 3.29Å; D429-T432 PolarHBondContact O-N 2.92Å; D429-T432 PolarHBondContact OD1-OG1 2.81Å; D429-T432 WeakPolarHBondContact OD2-CB 3.41Å; D429-T432 PolarHBondContact OD2-OG1 3.43Å; T432-C444 HydrophobicContact CG2-CB 3.5Å; T432-K445 WeakPolarHBondContact CA-O 3.16Å |
| 433 | E | 76.7 | Confident | 71.4 | Confident | 34 Ų | 34 | 77.2 Ų | 77.2 | 16% | 0.159 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 114.9 | 168 | -174.5 | -172.3 | -162.3 | 0 | 0 | 107.3 | R423 K445 | R423-E433 WeakPolarHBondContact CD-OE1 3.02Å; R423-E433 IonicContact CZ-OE1 3.05Å; R423-E433 IonicContact NE-OE1 3.91Å; R423-E433 IonicContact NH1-OE1 2.81Å; R423-E433 PolarHBondContact NH1-OE1 2.86Å; E433-K445 PolarHBondContact N-O 3.29Å; E433-K445 PolarHBondContact O-N 2.82Å; E433-K445 WeakPolarHBondContact OE2-CE 3.23Å; E433-K445 IonicContact OE2-NZ 2.64Å; E433-K445 PolarHBondContact OE2-NZ 3.44Å |
| 434 | C | 82.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 144.2 | 172 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | R423 W424 R443 C444 | R423-C434 CarbonylContact C-O 3.58Å; R423-C434 WeakPolarHBondContact CA-O 3.22Å; W424-C434 HydrophobicContact CD2-CB 3.8Å; W424-C434 VanDerWaalsContact CE2-CB 3.42Å; W424-C434 HydrophobicContact CE3-CB 4.19Å; W424-C434 HydrophobicContact CG-CB 4.43Å; W424-C434 HydrophobicContact CH2-CB 3.97Å; W424-C434 HydrophobicContact CZ2-CB 3.5Å; W424-C434 HydrophobicContact CZ3-CB 4.27Å; W424-C434 PolarHBondContact N-O 3.04Å; W424-C434 PolarHBondContact O-N 2.76Å; C434-R443 WeakPolarHBondContact CA-O 3.21Å; C434-C444 HydrophobicContact CB-CB 4.18Å; C434-C444 WeakPolarHBondContact CB-SG 3.01Å; C434-C444 WeakPolarHBondContact SG-CB 3.27Å; C434-C444 CovalentContact SG-SG 2.05Å; C434-C444 PolarHBondContact SG-SG 2.79Å |
| 435 | I | 83.8 | Confident | 71.5 | Confident | 53 Ų | 53 | 76.8 Ų | 76.8 | 27% | 0.272 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 138.5 | 171.7 | -174.2 | 167.3 | 0 | 0 | 0 | 109.4 | T422 R423 E437 Y442 R443 | T422-I435 WeakPolarHBondContact O-CA 3.29Å; R423-I435 HydrophobicContact CG-CB 4.1Å; R423-I435 HydrophobicContact CG-CD1 4Å; R423-I435 HydrophobicContact CG-CG1 3.93Å; I435-E437 HydrophobicContact CG2-CG 4.43Å; I435-Y442 CarbonylContact O-C 3.58Å; I435-Y442 VanDerWaalsContact O-CA 3.28Å; I435-Y442 WeakPolarHBondContact O-CA 3.29Å; I435-Y442 WeakPolarHBondContact O-CB 3.35Å; I435-R443 HydrophobicContact CG2-CB 4.32Å; I435-R443 PolarHBondContact N-O 3.27Å; I435-R443 PolarHBondContact O-N 3.49Å |
| 436 | C | 81 | Confident | 71.2 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.007 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 122.4 | 170.8 | -179 | 0 | 0 | 0 | 0 | 109.6 | C407 H418 A419 G421 T422 W424 | C407-C436 HydrophobicContact CB-CB 3.67Å; C407-C436 WeakPolarHBondContact CB-SG 3.29Å; C407-C436 PolarHBondContact N-SG 3.44Å; C407-C436 WeakPolarHBondContact SG-CA 3.48Å; C407-C436 WeakPolarHBondContact SG-CB 3.45Å; C407-C436 CovalentContact SG-SG 2.03Å; C407-C436 PolarHBondContact SG-SG 3.27Å; H418-C436 HydrophobicContact CB-CB 4.34Å; H418-C436 PolarHBondContact O-SG 3.17Å; A419-C436 WeakPolarHBondContact O-CB 3.46Å; G421-C436 WeakPolarHBondContact CA-O 3.5Å; G421-C436 PolarHBondContact N-O 2.84Å; T422-C436 PolarHBondContact O-N 2.86Å; W424-C436 HydrophobicContact CH2-CB 4.47Å; W424-C436 HydrophobicContact CZ3-CB 3.96Å |
| 437 | E | 80.4 | Confident | 70.9 | Confident | 81 Ų | 81 | 86 Ų | 86 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 172 | 173.9 | -54.4 | -172.2 | 169.1 | 0 | 0 | 110 | I435 T441 R443 | I435-E437 HydrophobicContact CG2-CG 4.43Å; E437-T441 CarbonylContact C-O 3.57Å; E437-T441 WeakPolarHBondContact CA-O 3.35Å; E437-T441 VanDerWaalsContact CB-O 3.29Å; E437-T441 WeakPolarHBondContact CB-O 3.25Å; E437-T441 PolarHBondContact N-O 3.43Å; E437-R443 HydrophobicContact CG-CB 4.35Å; E437-R443 VanDerWaalsContact OE1-CB 3.27Å; E437-R443 WeakPolarHBondContact OE1-CB 3.46Å; E437-R443 WeakPolarHBondContact OE1-CD 3.2Å |
| 438 | I | 72.6 | Confident | 70.4 | Confident | 122 Ų | 122 | 86.6 Ų | 86.6 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 151.2 | 176.3 | -60.5 | 164.8 | 0 | 0 | 0 | 109 | V420 T441 | V420-I438 HydrophobicContact CG1-CG1 3.8Å; I438-T441 PolarHBondContact O-OG1 2.79Å |
| 439 | N | 71.3 | Confident | 70.3 | Confident | 134 Ų | 134 | 79.3 Ų | 79.3 | 72% | 0.717 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 28 | -174.5 | -43.8 | -51.7 | 0 | 0 | 0 | 115.4 | T441 | N439-T441 PolarHBondContact O-N 2.81Š|
| 440 | R | 63.4 | Low | 69.7 | Low | 138 Ų | 138 | 83.6 Ų | 83.6 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 59.5 | 6 | -178.3 | -49 | -174.1 | -173.1 | -174.3 | -0.7 | 115.7 | E404 D406 C407 | E404-R440 PolarHBondContact O-NE 2.96Å; E404-R440 PolarHBondContact O-NH2 3.5Å; D406-R440 WeakPolarHBondContact O-CG 3.49Å; C407-R440 PolarHBondContact SG-O 3.49Å |
| 441 | T | 72.8 | Confident | 69.1 | Low | 77 Ų | 77 | 85.1 Ų | 85.1 | 47% | 0.472 | 40% | 0.403 | S | S | . | . | trans | -83.4 | 134 | 175.8 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | C407 E437 I438 N439 | C407-T441 VanDerWaalsContact SG-C 3.56Å; C407-T441 PolarHBondContact SG-O 3.25Å; E437-T441 CarbonylContact C-O 3.57Å; E437-T441 WeakPolarHBondContact CA-O 3.35Å; E437-T441 VanDerWaalsContact CB-O 3.29Å; E437-T441 WeakPolarHBondContact CB-O 3.25Å; E437-T441 PolarHBondContact N-O 3.43Å; I438-T441 PolarHBondContact O-OG1 2.79Å; N439-T441 PolarHBondContact O-N 2.81Å | ||
| 442 | Y | 81.3 | Confident | 68.6 | Low | 92 Ų | 92 | 91.3 Ų | 91.3 | 36% | 0.361 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 150.9 | 174.2 | 62.8 | -93.7 | 0 | 0 | 0 | 111.5 | C407 F408 Y409 W424 I435 C444 | C407-Y442 HydrophobicContact CB-CD1 4.4Å; F408-Y442 VanDerWaalsContact O-CE1 3.23Å; F408-Y442 WeakPolarHBondContact O-CE1 3.05Å; Y409-Y442 HydrophobicContact CD2-CD2 4.24Å; Y409-Y442 HydrophobicContact CD2-CE1 4.15Å; Y409-Y442 AromaticContact CD2-CE2 3.76Å; Y409-Y442 HydrophobicContact CD2-CE2 3.76Å; Y409-Y442 AromaticContact CD2-CZ 3.71Å; Y409-Y442 AromaticContact CE2-CE2 3.98Å; Y409-Y442 HydrophobicContact CE2-CE2 3.98Å; W424-Y442 HydrophobicContact CH2-CG 4.07Å; W424-Y442 HydrophobicContact CZ2-CD2 4.36Å; W424-Y442 HydrophobicContact CZ2-CG 4.2Å; I435-Y442 CarbonylContact O-C 3.58Å; I435-Y442 VanDerWaalsContact O-CA 3.28Å; I435-Y442 WeakPolarHBondContact O-CA 3.29Å; I435-Y442 WeakPolarHBondContact O-CB 3.35Å; Y442-C444 VanDerWaalsContact CD2-SG 3.5Å |
| 443 | R | 77.9 | Confident | 67.7 | Low | 169 Ų | 169 | 93.7 Ų | 93.7 | 64% | 0.638 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.5 | 175 | -171 | 175.2 | -177.8 | 174.1 | 2.9 | 110.6 | C434 I435 E437 | C434-R443 WeakPolarHBondContact CA-O 3.21Å; I435-R443 HydrophobicContact CG2-CB 4.32Å; I435-R443 PolarHBondContact N-O 3.27Å; I435-R443 PolarHBondContact O-N 3.49Å; E437-R443 HydrophobicContact CG-CB 4.35Å; E437-R443 VanDerWaalsContact OE1-CB 3.27Å; E437-R443 WeakPolarHBondContact OE1-CB 3.46Å; E437-R443 WeakPolarHBondContact OE1-CD 3.2Å |
| 444 | C | 80.4 | Confident | 66.8 | Low | 52 Ų | 52 | 99.7 Ų | 99.7 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 136.9 | 176 | -64.6 | 0 | 0 | 0 | 0 | 110.5 | T432 C434 Y442 | T432-C444 HydrophobicContact CG2-CB 3.5Å; C434-C444 HydrophobicContact CB-CB 4.18Å; C434-C444 WeakPolarHBondContact CB-SG 3.01Å; C434-C444 WeakPolarHBondContact SG-CB 3.27Å; C434-C444 CovalentContact SG-SG 2.05Å; C434-C444 PolarHBondContact SG-SG 2.79Å; Y442-C444 VanDerWaalsContact CD2-SG 3.5Å |
| 445 | K | 71.7 | Confident | 65.9 | Low | 113 Ų | 113 | 101.4 Ų | 101.4 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.4 | 174.1 | 73.3 | -170.1 | 178.8 | -171.7 | 0 | 109.6 | T432 E433 Q447 | T432-K445 WeakPolarHBondContact CA-O 3.16Å; E433-K445 PolarHBondContact N-O 3.29Å; E433-K445 PolarHBondContact O-N 2.82Å; E433-K445 WeakPolarHBondContact OE2-CE 3.23Å; E433-K445 IonicContact OE2-NZ 2.64Å; E433-K445 PolarHBondContact OE2-NZ 3.44Å; K445-Q447 PolarHBondContact O-N 2.78Å |
| 446 | R | 63.4 | Low | 65.2 | Low | 198 Ų | 198 | 102 Ų | 102 | 75% | 0.747 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133.2 | 168.7 | -79.5 | -173.6 | 173.9 | 165 | -1.3 | 110.6 | C431 S448 | C431-R446 CarbonylContact O-C 3.58Å; C431-R446 VanDerWaalsContact O-CA 3.27Å; C431-R446 WeakPolarHBondContact O-CA 3.49Å; R446-S448 PolarHBondContact O-N 3.39Å |
| 447 | Q | 60.1 | Low | 64.6 | Low | 86 Ų | 86 | 107.9 Ų | 107.9 | 40% | 0.402 | 53% | 0.532 | S | S | . | . | trans | -71.2 | 123.3 | -179.2 | -161.4 | 174.4 | 33.4 | 0 | 0 | 110 | C431 K445 C449 | C431-Q447 PolarHBondContact O-N 3.4Å; K445-Q447 PolarHBondContact O-N 2.78Å; Q447-C449 VanDerWaalsContact C-N 3.26Å; Q447-C449 PolarHBondContact O-N 3.33Å | ||
| 448 | S | 53.6 | Low | 64.1 | Low | 74 Ų | 74 | 111.2 Ų | 111.2 | 52% | 0.517 | 55% | 0.547 | S | S | . | . | trans | -75.8 | 73 | -179.9 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | R446 Q450 | R446-S448 PolarHBondContact O-N 3.39Å; S448-Q450 PolarHBondContact O-N 2.83Å | ||
| 449 | C | 52.3 | Low | 64.1 | Low | 9 Ų | 9 | 109.1 Ų | 109.1 | 6% | 0.061 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -67.1 | -19.8 | 179.1 | -50.6 | 0 | 0 | 0 | 0 | 113.3 | Q447 Q451 L452 F453 C469 | Q447-C449 VanDerWaalsContact C-N 3.26Å; Q447-C449 PolarHBondContact O-N 3.33Å; C449-Q451 PolarHBondContact O-N 2.79Å; C449-L452 PolarHBondContact O-N 2.84Å; C449-L452 VanDerWaalsContact O-N 3.14Å; C449-F453 PolarHBondContact O-N 2.92Å; C449-C469 VanDerWaalsContact CB-CA 3.49Å; C449-C469 HydrophobicContact CB-CB 3.35Å; C449-C469 WeakPolarHBondContact CB-SG 3.24Å; C449-C469 WeakPolarHBondContact SG-CA 3.5Å; C449-C469 WeakPolarHBondContact SG-CB 3.45Å; C449-C469 CovalentContact SG-SG 2.04Å; C449-C469 PolarHBondContact SG-SG 3.27Å |
| 450 | Q | 50.8 | Low | 64.2 | Low | 146 Ų | 146 | 105.1 Ų | 105.1 | 68% | 0.682 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -60.5 | -27.9 | -175.1 | -68.1 | -178.9 | 3 | 0 | 0 | 113.8 | S448 P470 | S448-Q450 PolarHBondContact O-N 2.83Å; Q450-P470 HydrophobicContact CG-CG 4.23Å |
| 451 | Q | 47.8 | Very low | 64.4 | Low | 168 Ų | 168 | 100.8 Ų | 100.8 | 79% | 0.785 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -78.7 | -21.5 | 179.6 | -68.9 | -173.7 | -9.5 | 0 | 0 | 113.7 | C449 | C449-Q451 PolarHBondContact O-N 2.79Š|
| 452 | L | 47.5 | Very low | 64.1 | Low | 155 Ų | 155 | 97.9 Ų | 97.9 | 81% | 0.812 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -23 | -179.5 | -70.6 | 165.9 | 0 | 0 | 0 | 112.5 | C449 L454 | C449-L452 PolarHBondContact O-N 2.84Å; C449-L452 VanDerWaalsContact O-N 3.14Å; L452-L454 PolarHBondContact O-N 3.45Å |
| 453 | F | 50.6 | Low | 63.2 | Low | 65 Ų | 65 | 96.3 Ų | 96.3 | 29% | 0.285 | 48% | 0.484 | S | S | . | . | trans | -88.9 | 88.5 | -176.4 | -158.2 | -99.3 | 0 | 0 | 0 | 112.1 | C449 C455 P461 P470 S471 C473 | C449-F453 PolarHBondContact O-N 2.92Å; F453-C455 PolarHBondContact O-N 3.19Å; F453-P461 HydrophobicContact CB-CB 4.45Å; F453-P461 HydrophobicContact CD1-CB 3.79Å; F453-P461 HydrophobicContact CD1-CG 4.22Å; F453-P470 HydrophobicContact CB-CB 4.14Å; F453-P470 HydrophobicContact CB-CG 4.43Å; F453-P470 HydrophobicContact CD1-CB 3.82Å; F453-P470 WeakPolarHBondContact CD2-O 3.17Å; F453-P470 HydrophobicContact CE1-CB 4.3Å; F453-P470 WeakPolarHBondContact CE2-O 3.23Å; F453-P470 HydrophobicContact CG-CB 3.93Å; F453-P470 WeakPolarHBondContact CG-O 3.06Å; F453-S471 VanDerWaalsContact CZ-C 3.41Å; F453-S471 WeakPolarHBondContact CZ-O 3.22Å; F453-C473 WeakPolarHBondContact CE1-SG 3.44Å | ||
| 454 | L | 58.2 | Low | 62.5 | Low | 161 Ų | 161 | 90.3 Ų | 90.3 | 84% | 0.843 | 47% | 0.468 | S | S | * | . | trans | -75.4 | 111.3 | 178.6 | -67.3 | 171.9 | 0 | 0 | 0 | 111.5 | L452 | L452-L454 PolarHBondContact O-N 3.45Š| ||
| 455 | C | 63.1 | Low | 61.3 | Low | 35 Ų | 35 | 95.9 Ų | 95.9 | 24% | 0.236 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 155.2 | 173.8 | -75 | 0 | 0 | 0 | 0 | 113.7 | F453 Q459 C473 | F453-C455 PolarHBondContact O-N 3.19Å; C455-Q459 HydrophobicContact CB-CB 4.22Å; C455-Q459 WeakPolarHBondContact CB-O 3.49Å; C455-C473 WeakPolarHBondContact CA-SG 3.1Å; C455-C473 HydrophobicContact CB-CB 3.79Å; C455-C473 WeakPolarHBondContact CB-SG 3.41Å; C455-C473 VanDerWaalsContact SG-CA 3.54Å; C455-C473 WeakPolarHBondContact SG-CB 3.49Å; C455-C473 CovalentContact SG-SG 2.04Å; C455-C473 PolarHBondContact SG-SG 3.37Å |
| 456 | P | 69.7 | Low | 60.4 | Low | 67 Ų | 67 | 98.9 Ų | 98.9 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 156.2 | 167 | -22.4 | 33.6 | 0 | 0 | 0 | 111.9 | Q459 | P456-Q459 PolarHBondContact O-N 2.99Å; P456-Q459 VanDerWaalsContact O-N 3.12Å |
| 457 | P | 67.3 | Low | 59.9 | Low | 124 Ų | 124 | 94.2 Ų | 94.2 | 81% | 0.805 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 144.6 | 170 | -25.1 | 34.4 | 0 | 0 | 0 | 111.9 | Q459 | P457-Q459 PolarHBondContact O-N 3.21Š|
| 458 | E | 69.9 | Low | 59.6 | Low | 150 Ų | 150 | 92 Ų | 92 | 70% | 0.701 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 6.5 | -175.5 | -51.8 | -175.2 | 173 | 0 | 0 | 116.2 | P476 | E458-P476 WeakPolarHBondContact O-CD 2.89Š|
| 459 | Q | 73.9 | Confident | 59.8 | Low | 78 Ų | 78 | 91.2 Ų | 91.2 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | trans | -116.4 | 146.1 | 170.5 | -61.5 | -178.7 | 0.6 | 0 | 0 | 111.4 | C455 P456 P457 C473 A474 | C455-Q459 HydrophobicContact CB-CB 4.22Å; C455-Q459 WeakPolarHBondContact CB-O 3.49Å; P456-Q459 PolarHBondContact O-N 2.99Å; P456-Q459 VanDerWaalsContact O-N 3.12Å; P457-Q459 PolarHBondContact O-N 3.21Å; Q459-C473 HydrophobicContact CB-CB 3.93Å; Q459-A474 CarbonylContact C-O 3.35Å; Q459-A474 WeakPolarHBondContact CA-O 3.34Å | ||
| 460 | I | 73.5 | Confident | 60.3 | Low | 51 Ų | 51 | 91.3 Ų | 91.3 | 26% | 0.262 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 150.3 | 173.7 | 52.3 | 168.6 | 0 | 0 | 0 | 110.4 | M462 A474 P476 K479 | I460-M462 PolarHBondContact O-N 3.1Å; I460-A474 WeakPolarHBondContact CG1-O 3.07Å; I460-A474 PolarHBondContact N-O 2.72Å; I460-A474 PolarHBondContact O-N 1.97Å; I460-P476 HydrophobicContact CD1-CB 4.44Å; I460-P476 HydrophobicContact CG1-CG 4.47Å; I460-P476 HydrophobicContact CG2-CG 4.35Å; I460-K479 HydrophobicContact CD1-CB 4.24Å; I460-K479 HydrophobicContact CD1-CD 3.96Å |
| 461 | P | 67.5 | Low | 60.9 | Low | 46 Ų | 46 | 86.8 Ų | 86.8 | 30% | 0.299 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 127.8 | 170.2 | -20 | 32.3 | 0 | 0 | 0 | 110.5 | F453 P470 | F453-P461 HydrophobicContact CB-CB 4.45Å; F453-P461 HydrophobicContact CD1-CB 3.79Å; F453-P461 HydrophobicContact CD1-CG 4.22Å; P461-P470 HydrophobicContact CB-CB 3.32Å; P461-P470 HydrophobicContact CB-CG 3.53Å |
| 462 | M | 65.1 | Low | 61.9 | Low | 17 Ų | 17 | 82.4 Ų | 82.4 | 8% | 0.084 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.6 | 168.5 | -76.8 | -168 | 65.8 | 0 | 0 | 110.7 | I460 P470 S471 Y472 A474 Q478 | I460-M462 PolarHBondContact O-N 3.1Å; M462-P470 CarbonylContact O-C 3.58Å; M462-P470 WeakPolarHBondContact O-CA 3.35Å; M462-S471 PolarHBondContact O-N 2.95Å; M462-Y472 HydrophobicContact CB-CD2 4.17Å; M462-Y472 HydrophobicContact CB-CE1 4.05Å; M462-Y472 HydrophobicContact CB-CE2 3.63Å; M462-Y472 PolarHBondContact N-O 2.73Å; M462-Y472 WeakPolarHBondContact O-CD1 2.99Å; M462-Y472 PolarHBondContact O-N 3.04Å; M462-Y472 VanDerWaalsContact O-O 3.09Å; M462-Y472 HydrophobicContact SD-CE2 4.48Å; M462-A474 HydrophobicContact CB-CB 4.05Å; M462-A474 HydrophobicContact CG-CB 3.72Å; M462-A474 HydrophobicContact SD-CB 3.38Å; M462-A474 WeakPolarHBondContact SD-CB 3.4Å; M462-Q478 HydrophobicContact SD-CB 3.98Å |
| 463 | T | 63.6 | Low | 63.1 | Low | 59 Ų | 59 | 76.8 Ų | 76.8 | 36% | 0.362 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 146.7 | 170.1 | 29.8 | 0 | 0 | 0 | 0 | 109.2 | E467 C468 C469 Y472 | T463-E467 WeakPolarHBondContact CB-O 3.49Å; T463-E467 WeakPolarHBondContact CG2-O 3.2Å; T463-C468 VanDerWaalsContact CG2-O 3.3Å; T463-C468 WeakPolarHBondContact CG2-O 3.49Å; T463-C469 VanDerWaalsContact CG2-C 3.45Å; T463-C469 WeakPolarHBondContact CG2-O 2.83Å; T463-Y472 WeakPolarHBondContact O-CE1 3.13Å; T463-Y472 PolarHBondContact O-OH 3.11Å |
| 464 | S | 63 | Low | 64.1 | Low | 43 Ų | 43 | 73.7 Ų | 73.7 | 30% | 0.301 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 168.5 | 160.3 | 67.3 | 0 | 0 | 0 | 0 | 109.7 | E467 | S464-E467 PolarHBondContact O-N 2.75Å; S464-E467 WeakPolarHBondContact OG-CB 3.18Å; S464-E467 VanDerWaalsContact OG-CG 3.27Å; S464-E467 WeakPolarHBondContact OG-CG 3.17Å; S464-E467 PolarHBondContact OG-OE2 3.46Å; S464-E467 VanDerWaalsContact OG-OE2 3.11Å |
| 465 | E | 54.7 | Low | 64.9 | Low | 169 Ų | 169 | 68.8 Ų | 68.8 | 79% | 0.79 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 141.6 | 158 | -62.1 | 177.5 | 154.8 | 0 | 0 | 108.6 | E467 | E465-E467 VanDerWaalsContact C-N 3.27Å; E465-E467 PolarHBondContact O-N 3.26Å; E465-E467 VanDerWaalsContact O-N 3.15Å |
| 466 | D | 54.1 | Low | 64.9 | Low | 176 Ų | 176 | 70.7 Ų | 70.7 | 94% | 0.941 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 1.2 | -176 | -52.7 | -29.3 | 0 | 0 | 0 | 119 | ||
| 467 | E | 50.8 | Low | 64.5 | Low | 100 Ų | 100 | 71.7 Ų | 71.7 | 47% | 0.467 | 40% | 0.404 | S | S | . | . | trans | -104.7 | 133.6 | 174.1 | -71.5 | -174.6 | 152.9 | 0 | 0 | 112.8 | T463 S464 E465 S471 | T463-E467 WeakPolarHBondContact CB-O 3.49Å; T463-E467 WeakPolarHBondContact CG2-O 3.2Å; S464-E467 PolarHBondContact O-N 2.75Å; S464-E467 WeakPolarHBondContact OG-CB 3.18Å; S464-E467 VanDerWaalsContact OG-CG 3.27Å; S464-E467 WeakPolarHBondContact OG-CG 3.17Å; S464-E467 PolarHBondContact OG-OE2 3.46Å; S464-E467 VanDerWaalsContact OG-OE2 3.11Å; E465-E467 VanDerWaalsContact C-N 3.27Å; E465-E467 PolarHBondContact O-N 3.26Å; E465-E467 VanDerWaalsContact O-N 3.15Å; E467-S471 WeakPolarHBondContact OE2-CB 3.49Å; E467-S471 PolarHBondContact OE2-OG 3Å | ||
| 468 | C | 55.2 | Low | 64 | Low | 40 Ų | 40 | 70 Ų | 70 | 27% | 0.27 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -80.4 | -44.6 | -180 | -178 | 0 | 0 | 0 | 0 | 113.8 | C431 T463 | C431-C468 WeakPolarHBondContact CA-SG 3.38Å; C431-C468 HydrophobicContact CB-CB 3.54Å; C431-C468 WeakPolarHBondContact CB-SG 3.11Å; C431-C468 WeakPolarHBondContact SG-CB 3.14Å; C431-C468 CovalentContact SG-SG 2.03Å; C431-C468 PolarHBondContact SG-SG 2.04Å; T463-C468 VanDerWaalsContact CG2-O 3.3Å; T463-C468 WeakPolarHBondContact CG2-O 3.49Å |
| 469 | C | 58 | Low | 63.1 | Low | 57 Ų | 57 | 69.8 Ų | 69.8 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -85.6 | 141 | 179 | -67.7 | 0 | 0 | 0 | 0 | 109.6 | C449 T463 S471 | C449-C469 VanDerWaalsContact CB-CA 3.49Å; C449-C469 HydrophobicContact CB-CB 3.35Å; C449-C469 WeakPolarHBondContact CB-SG 3.24Å; C449-C469 WeakPolarHBondContact SG-CA 3.5Å; C449-C469 WeakPolarHBondContact SG-CB 3.45Å; C449-C469 CovalentContact SG-SG 2.04Å; C449-C469 PolarHBondContact SG-SG 3.27Å; T463-C469 VanDerWaalsContact CG2-C 3.45Å; T463-C469 WeakPolarHBondContact CG2-O 2.83Å; C469-S471 PolarHBondContact O-N 3.36Å |
| 470 | P | 62.7 | Low | 61.8 | Low | 10 Ų | 10 | 73.2 Ų | 73.2 | 7% | 0.065 | 40% | 0.403 | C | S | . | . | trans | -54 | 129.3 | 170.9 | -22.8 | 32.3 | 0 | 0 | 0 | 110.1 | Q450 F453 P461 M462 | Q450-P470 HydrophobicContact CG-CG 4.23Å; F453-P470 HydrophobicContact CB-CB 4.14Å; F453-P470 HydrophobicContact CB-CG 4.43Å; F453-P470 HydrophobicContact CD1-CB 3.82Å; F453-P470 WeakPolarHBondContact CD2-O 3.17Å; F453-P470 HydrophobicContact CE1-CB 4.3Å; F453-P470 WeakPolarHBondContact CE2-O 3.23Å; F453-P470 HydrophobicContact CG-CB 3.93Å; F453-P470 WeakPolarHBondContact CG-O 3.06Å; P461-P470 HydrophobicContact CB-CB 3.32Å; P461-P470 HydrophobicContact CB-CG 3.53Å; M462-P470 CarbonylContact O-C 3.58Å; M462-P470 WeakPolarHBondContact O-CA 3.35Å | ||
| 471 | S | 62.6 | Low | 60.4 | Low | 52 Ų | 52 | 81.1 Ų | 81.1 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | trans | -116.3 | -16 | -174.4 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | F453 M462 E467 C469 | F453-S471 VanDerWaalsContact CZ-C 3.41Å; F453-S471 WeakPolarHBondContact CZ-O 3.22Å; M462-S471 PolarHBondContact O-N 2.95Å; E467-S471 WeakPolarHBondContact OE2-CB 3.49Å; E467-S471 PolarHBondContact OE2-OG 3Å; C469-S471 PolarHBondContact O-N 3.36Å | ||
| 472 | Y | 69 | Low | 59 | Low | 76 Ų | 76 | 85.1 Ų | 85.1 | 30% | 0.298 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156.4 | 172.6 | 66.7 | -80.8 | 0 | 0 | 0 | 112.1 | M462 T463 A474 | M462-Y472 HydrophobicContact CB-CD2 4.17Å; M462-Y472 HydrophobicContact CB-CE1 4.05Å; M462-Y472 HydrophobicContact CB-CE2 3.63Å; M462-Y472 PolarHBondContact N-O 2.73Å; M462-Y472 WeakPolarHBondContact O-CD1 2.99Å; M462-Y472 PolarHBondContact O-N 3.04Å; M462-Y472 VanDerWaalsContact O-O 3.09Å; M462-Y472 HydrophobicContact SD-CE2 4.48Å; T463-Y472 WeakPolarHBondContact O-CE1 3.13Å; T463-Y472 PolarHBondContact O-OH 3.11Å; Y472-A474 HydrophobicContact CD2-CB 4.08Å; Y472-A474 HydrophobicContact CE2-CB 3.84Å |
| 473 | C | 72.6 | Confident | 57.3 | Low | 36 Ų | 36 | 93 Ų | 93 | 24% | 0.243 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.2 | 172.3 | -64.8 | 0 | 0 | 0 | 0 | 108.9 | F453 C455 Q459 | F453-C473 WeakPolarHBondContact CE1-SG 3.44Å; C455-C473 WeakPolarHBondContact CA-SG 3.1Å; C455-C473 HydrophobicContact CB-CB 3.79Å; C455-C473 WeakPolarHBondContact CB-SG 3.41Å; C455-C473 VanDerWaalsContact SG-CA 3.54Å; C455-C473 WeakPolarHBondContact SG-CB 3.49Å; C455-C473 CovalentContact SG-SG 2.04Å; C455-C473 PolarHBondContact SG-SG 3.37Å; Q459-C473 HydrophobicContact CB-CB 3.93Å |
| 474 | A | 71.7 | Confident | 55.7 | Low | 1 Ų | 1 | 96.1 Ų | 96.1 | 1% | 0.008 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.5 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q459 I460 M462 Y472 Q478 | Q459-A474 CarbonylContact C-O 3.35Å; Q459-A474 WeakPolarHBondContact CA-O 3.34Å; I460-A474 WeakPolarHBondContact CG1-O 3.07Å; I460-A474 PolarHBondContact N-O 2.72Å; I460-A474 PolarHBondContact O-N 1.97Å; M462-A474 HydrophobicContact CB-CB 4.05Å; M462-A474 HydrophobicContact CG-CB 3.72Å; M462-A474 HydrophobicContact SD-CB 3.38Å; M462-A474 WeakPolarHBondContact SD-CB 3.4Å; Y472-A474 HydrophobicContact CD2-CB 4.08Å; Y472-A474 HydrophobicContact CE2-CB 3.84Å; A474-Q478 HydrophobicContact CB-CB 4.44Å |
| 475 | P | 74.5 | Confident | 54.1 | Low | 57 Ų | 57 | 101.6 Ų | 101.6 | 37% | 0.37 | 53% | 0.525 | S | S | . | . | trans | -59.3 | 141.8 | 167.2 | -20.5 | 33.2 | 0 | 0 | 0 | 110.6 | S477 Q478 | P475-S477 PolarHBondContact O-N 2.83Å; P475-Q478 PolarHBondContact O-N 2.93Å | ||
| 476 | P | 64.8 | Low | 52.8 | Low | 75 Ų | 75 | 101 Ų | 101 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -51.9 | -22.5 | 180 | -30.1 | 33.5 | 0 | 0 | 0 | 115.7 | E458 I460 Q478 K479 | E458-P476 WeakPolarHBondContact O-CD 2.89Å; I460-P476 HydrophobicContact CD1-CB 4.44Å; I460-P476 HydrophobicContact CG1-CG 4.47Å; I460-P476 HydrophobicContact CG2-CG 4.35Å; P476-Q478 VanDerWaalsContact C-N 3.3Å; P476-Q478 PolarHBondContact O-N 3.14Å; P476-K479 PolarHBondContact O-N 2.9Å |
| 477 | S | 60.8 | Low | 51.4 | Low | 88 Ų | 88 | 99.5 Ų | 99.5 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -67.7 | -20.7 | 177.3 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | P475 | P475-S477 PolarHBondContact O-N 2.83Š|
| 478 | Q | 56.2 | Low | 50.3 | Low | 88 Ų | 88 | 104.4 Ų | 104.4 | 41% | 0.411 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -77 | -26.8 | 178.2 | -80.1 | -177.1 | -53.7 | 0 | 0 | 113.2 | M462 A474 P475 P476 N480 R481 | M462-Q478 HydrophobicContact SD-CB 3.98Å; A474-Q478 HydrophobicContact CB-CB 4.44Å; P475-Q478 PolarHBondContact O-N 2.93Å; P476-Q478 VanDerWaalsContact C-N 3.3Å; P476-Q478 PolarHBondContact O-N 3.14Å; Q478-N480 PolarHBondContact O-N 3.31Å; Q478-R481 PolarHBondContact O-N 2.84Å |
| 479 | K | 50.4 | Low | 48.8 | Very low | 147 Ų | 147 | 110.1 Ų | 110.1 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -59.2 | -19 | -178 | -160.3 | 174.2 | -173.9 | 176.5 | 0 | 114.6 | I460 P476 | I460-K479 HydrophobicContact CD1-CB 4.24Å; I460-K479 HydrophobicContact CD1-CD 3.96Å; P476-K479 PolarHBondContact O-N 2.9Å |
| 480 | N | 47.2 | Very low | 47.4 | Very low | 150 Ų | 150 | 115.3 Ų | 115.3 | 80% | 0.802 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -106.7 | 7.8 | 178.8 | -72.7 | -7.8 | 0 | 0 | 0 | 114.2 | Q478 | Q478-N480 PolarHBondContact O-N 3.31Š|
| 481 | R | 43.9 | Very low | 45.4 | Very low | 216 Ų | 216 | 120.9 Ų | 120.9 | 82% | 0.815 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -100.1 | -4.7 | -176.3 | -98 | -174.4 | 171.5 | -174.1 | -3.4 | 116.1 | Q478 | Q478-R481 PolarHBondContact O-N 2.84Š|
| 482 | E | 39 | Very low | 43.5 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | trans | -103 | 28.1 | -177.1 | -71.5 | 168.9 | 172.3 | 0 | 0 | 113.7 | ||||
| 483 | K | 28.8 | Very low | 41.4 | Very low | 184 Ų | 184 | 132 Ų | 132 | 80% | 0.8 | 66% | 0.659 | S | S | * | * | trans | -108 | 109.2 | 158.3 | -95.4 | -171.7 | 173.3 | -175.6 | 0 | 109.9 | N485 | K483-N485 PolarHBondContact O-N 3.21Š| ||
| 484 | P | 30 | Very low | 39 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 69% | 0.685 | S | S | * | * | trans | -71.4 | 98.2 | 173.1 | 28.9 | -32.3 | 0 | 0 | 0 | 109.4 | ||||
| 485 | N | 30.2 | Very low | 36.9 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 72% | 0.722 | S | S | * | * | trans | -71.8 | 125.7 | 160.4 | -89.5 | -9.1 | 0 | 0 | 0 | 108.5 | K483 L487 | K483-N485 PolarHBondContact O-N 3.21Å; N485-L487 PolarHBondContact O-N 2.97Å | ||
| 486 | N | 25.7 | Very low | 34.5 | Very low | 156 Ų | 156 | 149.9 Ų | 149.9 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -54.2 | 131.6 | 172.4 | -79.4 | -50.2 | 0 | 0 | 0 | 111.5 | K488 | N486-K488 PolarHBondContact O-N 3.31Š| ||
| 487 | L | 25 | Very low | 32.6 | Very low | 145 Ų | 145 | 153.3 Ų | 153.3 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 26.6 | 90.5 | 139.6 | -165.8 | 71.4 | 0 | 0 | 0 | 116.5 | N485 Q489 | N485-L487 PolarHBondContact O-N 2.97Å; L487-Q489 HydrophobicContact CD1-CG 4.21Å | ||
| 488 | K | 27.9 | Very low | 30.8 | Very low | 204 Ų | 204 | 155 Ų | 155 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | trans | -118.4 | 117.1 | 138.9 | -94.6 | -171.1 | 172.4 | -174.9 | 0 | 108.8 | N486 | N486-K488 PolarHBondContact O-N 3.31Š| ||
| 489 | Q | 23.1 | Very low | 29.4 | Very low | 160 Ų | 160 | 157.8 Ų | 157.8 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -67.2 | 131 | 168.4 | -65.3 | 163.7 | -46.1 | 0 | 0 | 108 | L487 | L487-Q489 HydrophobicContact CD1-CG 4.21Š| ||
| 490 | D | 28.7 | Very low | 28.1 | Very low | 166 Ų | 166 | 157.3 Ų | 157.3 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -135.3 | 148.2 | 153.5 | -107.1 | -42.7 | 0 | 0 | 0 | 109 | ||||
| 491 | I | 20.7 | Very low | 27.1 | Very low | 126 Ų | 126 | 155.1 Ų | 155.1 | 65% | 0.646 | 78% | 0.783 | S | S | * | * | trans | -114.5 | 153.7 | -150.3 | -76.3 | 166.9 | 0 | 0 | 0 | 110.9 | ||||
| 492 | Q | 23.1 | Very low | 26.2 | Very low | 176 Ų | 176 | 151.2 Ų | 151.2 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 69.8 | 149.2 | 175.9 | -68.1 | 151.4 | 31 | 0 | 0 | 114.3 | ||||
| 493 | K | 24.9 | Very low | 25.5 | Very low | 186 Ų | 186 | 154.6 Ų | 154.6 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | cis | -151 | 153.8 | 27.4 | -153.9 | 178.5 | -173.8 | -172.1 | 0 | 111.5 | ||||
| 494 | N | 21.9 | Very low | 25.5 | Very low | 149 Ų | 149 | 154.9 Ų | 154.9 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -82.2 | 148.8 | 174.5 | -57.6 | -32.9 | 0 | 0 | 0 | 111.5 | ||||
| 495 | D | 28.5 | Very low | 25.3 | Very low | 146 Ų | 146 | 157.7 Ų | 157.7 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -169.3 | 105.7 | 149.9 | -79.6 | -36.8 | 0 | 0 | 0 | 104.5 | ||||
| 496 | E | 24.5 | Very low | 25.3 | Very low | 175 Ų | 175 | 157.7 Ų | 157.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 103.7 | 136.6 | 70.7 | -97.6 | -158.3 | 167.6 | 0 | 0 | 113.9 | |||||
| 497 | L | 23.2 | Very low | 25.3 | Very low | 147 Ų | 147 | 162 Ų | 162 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | 70.1 | 82.9 | 151.4 | -126.6 | 70.6 | 0 | 0 | 0 | 122.9 | ||||
| 498 | N | 23.4 | Very low | 25.3 | Very low | 123 Ų | 123 | 162.4 Ų | 162.4 | 66% | 0.658 | 81% | 0.807 | S | S | * | * | 37.9 | 123.8 | 105.9 | -153.6 | 18 | 0 | 0 | 0 | 120.7 | |||||
| 499 | T | 28.2 | Very low | 25.3 | Very low | 147 Ų | 147 | 161 Ų | 161 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -165.9 | 145.3 | 134 | 7.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 500 | D | 23.3 | Very low | 25.4 | Very low | 136 Ų | 136 | 161.7 Ų | 161.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -97.6 | 172.9 | -164.9 | -85.9 | -61.7 | 0 | 0 | 0 | 116.7 | ||||
| 501 | S | 25.1 | Very low | 25.3 | Very low | 105 Ų | 105 | 160.8 Ų | 160.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | 76.6 | 122.1 | 157 | 76.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 502 | V | 25 | Very low | 25.5 | Very low | 134 Ų | 134 | 162.6 Ų | 162.6 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | cis | 68.4 | 90.1 | 43.2 | -170.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 503 | K | 25.3 | Very low | 25.5 | Very low | 200 Ų | 200 | 161.8 Ų | 161.8 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -168.4 | 158.7 | 140.8 | -107.3 | 155.4 | -172.8 | 172.6 | 0 | 111.7 | ||||
| 504 | Q | 27.4 | Very low | 25.5 | Very low | 190 Ų | 190 | 160 Ų | 160 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | 76 | 55.5 | 169.1 | -62.7 | 175.7 | -10.9 | 0 | 0 | 118.6 | ||||
| 505 | Q | 26.4 | Very low | 25.6 | Very low | 184 Ų | 184 | 161.2 Ų | 161.2 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | -87.5 | 162.5 | 125 | -90.5 | -179.1 | -34 | 0 | 0 | 109.7 | |||||
| 506 | N | 29.3 | Very low | 25.5 | Very low | 156 Ų | 156 | 160.8 Ų | 160.8 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | 78 | 79.8 | 174 | -58.3 | -20.8 | 0 | 0 | 0 | 118.4 | ||||
| 507 | R | 25.5 | Very low | 25.4 | Very low | 246 Ų | 246 | 160.6 Ų | 160.6 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -172 | 92.1 | 134.2 | -106.4 | -179.4 | -174.5 | -173.6 | 2.6 | 110.7 | ||||
| 508 | M | 25.8 | Very low | 25.5 | Very low | 155 Ų | 155 | 158.8 Ų | 158.8 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | trans | -174 | 38.1 | 133 | -141.4 | 162.9 | -75.2 | 0 | 0 | 114.5 | Q510 I511 | M508-Q510 PolarHBondContact O-N 2.85Å; M508-Q510 VanDerWaalsContact O-N 3.1Å; M508-I511 HydrophobicContact SD-CD1 4.45Å | ||
| 509 | I | 27.2 | Very low | 25.4 | Very low | 175 Ų | 175 | 161.6 Ų | 161.6 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 72.2 | 157 | -56.6 | 177.7 | 0 | 0 | 0 | 106.9 | ||
| 510 | Q | 25.9 | Very low | 25.2 | Very low | 174 Ų | 174 | 164.1 Ų | 164.1 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.1 | 23.6 | 170.3 | -106.1 | -154 | -3.2 | 0 | 0 | 114.4 | M508 L512 | M508-Q510 PolarHBondContact O-N 2.85Å; M508-Q510 VanDerWaalsContact O-N 3.1Å; Q510-L512 VanDerWaalsContact C-N 3.28Å |
| 511 | I | 27.1 | Very low | 25.3 | Very low | 146 Ų | 146 | 163.3 Ų | 163.3 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | trans | -101.8 | 62.8 | 156.8 | -50.2 | -177.8 | 0 | 0 | 0 | 107.3 | M508 | M508-I511 HydrophobicContact SD-CD1 4.45Š| ||
| 512 | L | 23.9 | Very low | 25.2 | Very low | 164 Ų | 164 | 163.7 Ų | 163.7 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | trans | -119.9 | 51.9 | 168.4 | -162.7 | 87.1 | 0 | 0 | 0 | 108 | Q510 | Q510-L512 VanDerWaalsContact C-N 3.28Š| ||
| 513 | M | 24.2 | Very low | 25 | Very low | 160 Ų | 160 | 162.7 Ų | 162.7 | 79% | 0.788 | 83% | 0.827 | S | S | * | * | trans | -142.2 | 154.1 | 174 | -73.7 | -167.3 | 169.8 | 0 | 0 | 108.8 | ||||
| 514 | N | 25.2 | Very low | 24.9 | Very low | 147 Ų | 147 | 157.8 Ų | 157.8 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | 80.1 | 84.3 | -168.1 | -54.5 | 8.4 | 0 | 0 | 0 | 111.8 | ||||
| 515 | E | 23 | Very low | 24.5 | Very low | 175 Ų | 175 | 156.2 Ų | 156.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | 61.5 | 106 | 72.1 | -59.2 | -169.3 | 146.2 | 0 | 0 | 113.6 | |||||
| 516 | T | 26.4 | Very low | 24.3 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | -169.8 | 120.3 | 116.3 | 13.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 517 | I | 23.2 | Very low | 24 | Very low | 172 Ų | 172 | 151.5 Ų | 151.5 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -112.7 | 105.9 | 176.1 | -61.8 | 172.6 | 0 | 0 | 0 | 108.1 | Q519 | I517-Q519 PolarHBondContact O-N 2.03Š| ||
| 518 | P | 24.3 | Very low | 23.8 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -88.6 | 108.3 | 172.5 | -5.4 | 24.9 | 0 | 0 | 0 | 111.1 | ||||
| 519 | Q | 22.6 | Very low | 23.7 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | 48.2 | 100.7 | 136.7 | -60.5 | 179 | -2.5 | 0 | 0 | 118.6 | I517 P521 | I517-Q519 PolarHBondContact O-N 2.03Å; Q519-P521 WeakPolarHBondContact O-CD 3.27Å | ||
| 520 | K | 23.5 | Very low | 23.4 | Very low | 199 Ų | 199 | 146.4 Ų | 146.4 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -83.8 | 118.6 | 160.2 | 176.3 | -179.9 | -178.5 | 177.5 | 0 | 109.8 | ||||
| 521 | P | 25.4 | Very low | 23.1 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -66.5 | 134.6 | 169.4 | -18.9 | 32.9 | 0 | 0 | 0 | 110.8 | Q519 | Q519-P521 WeakPolarHBondContact O-CD 3.27Š| ||
| 522 | S | 21.6 | Very low | 22.7 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -111.6 | 117.8 | -177.3 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 523 | S | 22.8 | Very low | 22.7 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -179.1 | 147.4 | 163.6 | 47.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 524 | S | 21.9 | Very low | 22.6 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | cis | -161.6 | 133.5 | -15.8 | 42.3 | 0 | 0 | 0 | 0 | 104 | ||||
| 525 | L | 19.9 | Very low | 22.3 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | 40.3 | 114.5 | 100.8 | -62.4 | 163.5 | 0 | 0 | 0 | 111.4 | |||||
| 526 | T | 21.6 | Very low | 22.4 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | cis | -159.9 | 166.2 | 25.1 | 9.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 527 | P | 23.9 | Very low | 22.3 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -94.1 | -173.3 | -175.2 | 39 | -34.5 | 0 | 0 | 0 | 113.1 | ||||
| 528 | R | 20.4 | Very low | 22.3 | Very low | 208 Ų | 208 | 131.3 Ų | 131.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 87.4 | 116 | 147.4 | -135.4 | 177.3 | -162.6 | 169.9 | 1.7 | 117 | ||||
| 529 | N | 23.3 | Very low | 22.3 | Very low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | -179.3 | 93.9 | 122.2 | -85 | -15.6 | 0 | 0 | 0 | 106.9 | |||||
| 530 | T | 21.5 | Very low | 22.4 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | 40.3 | 106.8 | 76.4 | 61.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 531 | G | 19 | Very low | 22.4 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 78 | 98.8 | 136.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 532 | C | 19.7 | Very low | 22.4 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 97% | 0.973 | 73% | 0.732 | S | S | * | * | trans | -92.2 | 110.2 | 138.9 | -76 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 533 | S | 22.9 | Very low | 22.5 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | trans | -116.3 | 127 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 534 | S | 21.7 | Very low | 22.6 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -175.1 | 142.4 | 169.5 | 54.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 535 | L | 20.6 | Very low | 22.9 | Very low | 143 Ų | 143 | 127 Ų | 127 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | cis | 166.4 | 164.5 | -8.6 | -147.9 | 71.1 | 0 | 0 | 0 | 101.9 | ||||
| 536 | I | 23.7 | Very low | 23.3 | Very low | 136 Ų | 136 | 122 Ų | 122 | 70% | 0.697 | 68% | 0.68 | S | S | * | * | trans | 70.6 | 128.8 | 159.8 | -60 | 156.9 | 0 | 0 | 0 | 114.4 | ||||
| 537 | D | 24.4 | Very low | 24.3 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | cis | -161.2 | 160.6 | -2.2 | -111.7 | 5.4 | 0 | 0 | 0 | 110.7 | ||||
| 538 | N | 24.3 | Very low | 24.9 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | trans | 44 | 103.7 | 145 | -51.2 | -28.8 | 0 | 0 | 0 | 118.8 | ||||
| 539 | E | 24.4 | Very low | 26.1 | Very low | 166 Ų | 166 | 110.3 Ų | 110.3 | 78% | 0.776 | 63% | 0.628 | S | S | * | * | 77.5 | 130.3 | 79.8 | -77.5 | -165.5 | -170.3 | 0 | 0 | 116.1 | |||||
| 540 | N | 24.7 | Very low | 27.1 | Very low | 135 Ų | 135 | 106.7 Ų | 106.7 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | trans | 72.7 | 87.9 | 160.8 | -54.2 | -40.7 | 0 | 0 | 0 | 119.1 | ||||
| 541 | I | 22.9 | Very low | 28.1 | Very low | 123 Ų | 123 | 103.5 Ų | 103.5 | 63% | 0.631 | 60% | 0.604 | S | S | * | * | trans | -163.2 | 127.1 | 130.9 | -94.2 | 148.6 | 0 | 0 | 0 | 107.7 | Q543 T613 | I541-Q543 PolarHBondContact O-N 3.46Å; I541-Q543 VanDerWaalsContact O-N 3.14Å; I541-T613 HydrophobicContact CG2-CG2 3.34Å | ||
| 542 | I | 24.4 | Very low | 29.4 | Very low | 70 Ų | 70 | 101 Ų | 101 | 36% | 0.359 | 58% | 0.575 | S | S | . | * | trans | -84.7 | 79.8 | -160.2 | -50.3 | 101.8 | 0 | 0 | 0 | 113.3 | T613 V614 H615 | I542-T613 CarbonylContact O-C 3.55Å; I542-T613 VanDerWaalsContact O-C 3.26Å; I542-T613 WeakPolarHBondContact O-CA 3.24Å; I542-T613 WeakPolarHBondContact O-CB 3.42Å; I542-T613 WeakPolarHBondContact O-CG2 3.08Å; I542-V614 HydrophobicContact CD1-CG2 4.44Å; I542-V614 PolarHBondContact O-N 3.3Å; I542-H615 HydrophobicContact CG2-CB 4.38Å | ||
| 543 | Q | 24.5 | Very low | 30.5 | Very low | 91 Ų | 91 | 101.6 Ų | 101.6 | 43% | 0.425 | 56% | 0.557 | S | S | . | * | B | Isolated β-bridge | trans | -53.6 | 142.4 | -173.9 | -78.7 | 165.3 | -5 | 0 | 0 | 115.1 | I541 | I541-Q543 PolarHBondContact O-N 3.46Å; I541-Q543 VanDerWaalsContact O-N 3.14Å |
| 544 | Y | 24.3 | Very low | 32 | Very low | 149 Ų | 149 | 96.2 Ų | 96.2 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 143.1 | 156.6 | -88.3 | -75 | 0 | 0 | 0 | 106.7 | D546 N612 | Y544-D546 PolarHBondContact O-N 3.19Å; Y544-D546 VanDerWaalsContact O-N 3.12Å; Y544-N612 VanDerWaalsContact CD2-C 3.46Å; Y544-N612 WeakPolarHBondContact CD2-O 3.07Å |
| 545 | P | 29 | Very low | 33.4 | Very low | 107 Ų | 107 | 92.1 Ų | 92.1 | 70% | 0.695 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 125.7 | -173.8 | 23.4 | -33 | 0 | 0 | 0 | 109.6 | V547 | P545-V547 PolarHBondContact O-N 2.65Š|
| 546 | D | 29.1 | Very low | 34.6 | Very low | 51 Ų | 51 | 86.4 Ų | 86.4 | 27% | 0.273 | 46% | 0.459 | S | S | . | . | trans | -40.2 | 111.8 | 166.5 | -89.3 | -51.4 | 0 | 0 | 0 | 108.5 | Y544 F548 P549 N608 K610 | Y544-D546 PolarHBondContact O-N 3.19Å; Y544-D546 VanDerWaalsContact O-N 3.12Å; D546-F548 PolarHBondContact O-N 3.06Å; D546-P549 WeakPolarHBondContact O-CD 3.22Å; D546-N608 PolarHBondContact OD1-OD1 3.34Å; D546-K610 WeakPolarHBondContact OD1-CE 3.1Å; D546-K610 VanDerWaalsContact OD1-CG 3.31Å; D546-K610 WeakPolarHBondContact OD1-CG 3.32Å; D546-K610 IonicContact OD1-NZ 3.76Å; D546-K610 WeakPolarHBondContact OD2-CE 3.48Å; D546-K610 IonicContact OD2-NZ 2.7Å; D546-K610 PolarHBondContact OD2-NZ 2.92Å | ||
| 547 | V | 41.9 | Very low | 35.4 | Very low | 100 Ų | 100 | 84.8 Ų | 84.8 | 61% | 0.606 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -57.7 | -26.9 | -166.2 | -171.9 | 0 | 0 | 0 | 0 | 110.5 | P545 | P545-V547 PolarHBondContact O-N 2.65Š|
| 548 | F | 35.7 | Very low | 36 | Very low | 27 Ų | 27 | 87.1 Ų | 87.1 | 12% | 0.118 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -145.7 | 86.7 | 178.2 | -71.8 | -64.4 | 0 | 0 | 0 | 111.6 | D546 S552 L554 W573 L596 C607 | D546-F548 PolarHBondContact O-N 3.06Å; F548-S552 VanDerWaalsContact C-OG 3.3Å; F548-S552 VanDerWaalsContact CA-OG 3.27Å; F548-S552 WeakPolarHBondContact CA-OG 3.36Å; F548-S552 WeakPolarHBondContact CB-OG 3.41Å; F548-S552 WeakPolarHBondContact CD1-OG 3.38Å; F548-L554 HydrophobicContact CE1-CB 4.34Å; F548-L554 HydrophobicContact CE1-CD1 4.02Å; F548-L554 HydrophobicContact CE2-CD1 4.1Å; F548-L554 HydrophobicContact CZ-CD1 3.43Å; F548-L554 VanDerWaalsContact CZ-CD1 3.43Å; F548-W573 HydrophobicContact CB-CH2 3.82Å; F548-W573 HydrophobicContact CB-CZ2 4.13Å; F548-W573 AromaticContact CD1-CH2 3.57Å; F548-W573 HydrophobicContact CD1-CH2 3.57Å; F548-W573 HydrophobicContact CD1-CZ2 4.27Å; F548-W573 AromaticContact CD2-CH2 3.74Å; F548-W573 HydrophobicContact CD2-CH2 3.74Å; F548-W573 AromaticContact CD2-CZ2 3.57Å; F548-W573 HydrophobicContact CD2-CZ2 3.57Å; F548-W573 AromaticContact CE1-CH2 3.98Å; F548-W573 HydrophobicContact CE1-CH2 3.98Å; F548-W573 HydrophobicContact CE2-CH2 4.15Å; F548-W573 AromaticContact CE2-CZ2 3.97Å; F548-W573 HydrophobicContact CE2-CZ2 3.97Å; F548-W573 AromaticContact CG-CH2 3.41Å; F548-W573 HydrophobicContact CG-CH2 3.41Å; F548-W573 VanDerWaalsContact CG-CH2 3.41Å; F548-W573 AromaticContact CG-CZ2 3.72Å; F548-W573 HydrophobicContact CG-CZ2 3.72Å; F548-W573 HydrophobicContact CZ-CH2 4.25Å; F548-W573 HydrophobicContact CZ-CZ2 4.46Å; F548-L596 HydrophobicContact CD1-CD1 4.24Å; F548-L596 HydrophobicContact CE1-CB 3.73Å; F548-L596 HydrophobicContact CE1-CD1 3.44Å; F548-L596 VanDerWaalsContact CE1-CD1 3.44Å; F548-L596 HydrophobicContact CE1-CG 4.21Å; F548-L596 HydrophobicContact CE2-CD1 4.42Å; F548-L596 HydrophobicContact CZ-CB 3.54Å; F548-L596 HydrophobicContact CZ-CD1 3.54Å; F548-L596 HydrophobicContact CZ-CG 4.15Å; F548-C607 HydrophobicContact CB-CB 3.66Å |
| 549 | P | 45.2 | Very low | 36.9 | Very low | 77 Ų | 77 | 88.1 Ų | 88.1 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | trans | -59.7 | 149 | 174.4 | 26.8 | -35.5 | 0 | 0 | 0 | 110.7 | D546 G551 S552 | D546-P549 WeakPolarHBondContact O-CD 3.22Å; P549-G551 PolarHBondContact O-N 3.28Å; P549-G551 VanDerWaalsContact O-N 3.15Å; P549-S552 WeakPolarHBondContact O-CB 3.41Å; P549-S552 PolarHBondContact O-N 3.44Å; P549-S552 PolarHBondContact O-OG 3.41Å | ||
| 550 | S | 45.8 | Very low | 37.4 | Very low | 72 Ų | 72 | 85.8 Ų | 85.8 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 124.7 | -178.8 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 551 | G | 42.8 | Very low | 38.1 | Very low | 46 Ų | 46 | 86.7 Ų | 86.7 | 47% | 0.474 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -9.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P549 C567 | P549-G551 PolarHBondContact O-N 3.28Å; P549-G551 VanDerWaalsContact O-N 3.15Å; G551-C567 PolarHBondContact N-O 2.72Å |
| 552 | S | 45.5 | Very low | 39.1 | Very low | 23 Ų | 23 | 81.9 Ų | 81.9 | 16% | 0.161 | 43% | 0.433 | C | S | . | . | trans | -62.9 | 150.5 | 173.2 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | F548 P549 I566 C567 | F548-S552 VanDerWaalsContact C-OG 3.3Å; F548-S552 VanDerWaalsContact CA-OG 3.27Å; F548-S552 WeakPolarHBondContact CA-OG 3.36Å; F548-S552 WeakPolarHBondContact CB-OG 3.41Å; F548-S552 WeakPolarHBondContact CD1-OG 3.38Å; P549-S552 WeakPolarHBondContact O-CB 3.41Å; P549-S552 PolarHBondContact O-N 3.44Å; P549-S552 PolarHBondContact O-OG 3.41Å; S552-I566 WeakPolarHBondContact O-CA 3.47Å; S552-C567 PolarHBondContact O-N 3.4Å; S552-C567 VanDerWaalsContact O-N 3.14Å | ||
| 553 | R | 43.9 | Very low | 40.2 | Very low | 156 Ų | 156 | 79.9 Ų | 79.9 | 59% | 0.589 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.3 | -173.6 | -68.7 | 172.2 | -176 | 176.4 | 1.1 | 111.3 | L564 C565 I566 | R553-L564 HydrophobicContact CB-CD1 3.98Å; R553-L564 HydrophobicContact CG-CD1 4.38Å; R553-C565 CarbonylContact C-O 3.51Å; R553-C565 WeakPolarHBondContact CA-O 3.42Å; R553-I566 HydrophobicContact CG-CG1 4.18Å |
| 554 | L | 52.7 | Low | 41.6 | Very low | 6 Ų | 6 | 77 Ų | 77 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.1 | 173.6 | 179 | 86.1 | 0 | 0 | 0 | 108.1 | F548 L556 C565 W573 L596 | F548-L554 HydrophobicContact CE1-CB 4.34Å; F548-L554 HydrophobicContact CE1-CD1 4.02Å; F548-L554 HydrophobicContact CE2-CD1 4.1Å; F548-L554 HydrophobicContact CZ-CD1 3.43Å; F548-L554 VanDerWaalsContact CZ-CD1 3.43Å; L554-L556 HydrophobicContact CD2-CD1 3.83Å; L554-L556 HydrophobicContact CD2-CG 4.07Å; L554-C565 HydrophobicContact CB-CB 4.43Å; L554-C565 PolarHBondContact N-O 2.74Å; L554-C565 PolarHBondContact O-N 3.32Å; L554-W573 HydrophobicContact CB-CE3 4.14Å; L554-W573 HydrophobicContact CB-CH2 3.54Å; L554-W573 HydrophobicContact CB-CZ2 4.24Å; L554-W573 HydrophobicContact CB-CZ3 3.49Å; L554-W573 VanDerWaalsContact CB-CZ3 3.49Å; L554-W573 HydrophobicContact CD2-CD2 4.25Å; L554-W573 HydrophobicContact CD2-CE3 4.4Å; L554-W573 HydrophobicContact CD2-CH2 4.17Å; L554-W573 HydrophobicContact CD2-CZ2 4.01Å; L554-W573 HydrophobicContact CD2-CZ3 4.37Å; L554-W573 HydrophobicContact CG-CH2 4.31Å; L554-L596 WeakPolarHBondContact CD1-O 3.36Å |
| 555 | L | 50.9 | Low | 43.2 | Very low | 18 Ų | 18 | 69.9 Ų | 69.9 | 9% | 0.094 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 110.2 | 172.9 | -167.4 | 75.1 | 0 | 0 | 0 | 110.6 | I557 L563 L564 H578 I595 P598 | L555-I557 HydrophobicContact CD2-CD1 4.33Å; L555-I557 HydrophobicContact CD2-CG1 4.07Å; L555-I557 HydrophobicContact CG-CG1 4.23Å; L555-I557 PolarHBondContact O-N 3.4Å; L555-L563 WeakPolarHBondContact CA-O 3.29Å; L555-L564 HydrophobicContact CD1-CB 4.27Å; L555-L564 HydrophobicContact CD1-CD1 4.23Å; L555-H578 HydrophobicContact CD1-CB 4.23Å; L555-I595 HydrophobicContact CB-CG2 3.71Å; L555-P598 VanDerWaalsContact O-CD 3.27Å; L555-P598 WeakPolarHBondContact O-CD 3.37Å |
| 556 | L | 46.4 | Very low | 44.5 | Very low | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.12 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 95.2 | 175.9 | -98.6 | 153.1 | 0 | 0 | 0 | 109.6 | L554 R558 L563 C565 P598 | L554-L556 HydrophobicContact CD2-CD1 3.83Å; L554-L556 HydrophobicContact CD2-CG 4.07Å; L556-R558 PolarHBondContact O-N 2.79Å; L556-L563 HydrophobicContact CB-CB 3.98Å; L556-L563 PolarHBondContact N-O 2.71Å; L556-L563 PolarHBondContact O-N 2.7Å; L556-C565 HydrophobicContact CD1-CB 4.5Å; L556-C565 VanDerWaalsContact CD1-SG 3.5Å; L556-P598 HydrophobicContact CD2-CB 4.31Å; L556-P598 HydrophobicContact CD2-CG 3.72Å; L556-P598 HydrophobicContact CG-CG 4.02Å |
| 557 | I | 40.2 | Very low | 46 | Very low | 102 Ų | 102 | 65.6 Ų | 65.6 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 116.5 | 177.3 | -53.8 | 179.1 | 0 | 0 | 0 | 109.2 | L555 L597 | L555-I557 HydrophobicContact CD2-CD1 4.33Å; L555-I557 HydrophobicContact CD2-CG1 4.07Å; L555-I557 HydrophobicContact CG-CG1 4.23Å; L555-I557 PolarHBondContact O-N 3.4Å; I557-L597 HydrophobicContact CD1-CD2 3.73Å; I557-L597 HydrophobicContact CG1-CD2 4.42Å |
| 558 | R | 38.4 | Very low | 46.7 | Very low | 168 Ų | 168 | 62 Ų | 62 | 63% | 0.634 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 155.8 | 165.8 | -62.3 | -177.8 | 173.9 | -175.7 | -2.4 | 109.5 | L556 C560 R561 | L556-R558 PolarHBondContact O-N 2.79Å; R558-C560 PolarHBondContact O-N 3.46Å; R558-R561 WeakPolarHBondContact CA-O 3.42Å; R558-R561 WeakPolarHBondContact CB-O 3.49Å; R558-R561 PolarHBondContact N-O 3.27Å; R558-R561 CarbonylContact O-C 3.59Å; R558-R561 PolarHBondContact O-N 2.7Å; R558-R561 VanDerWaalsContact O-N 3.1Å; R558-R561 VanDerWaalsContact O-O 3.06Å |
| 559 | T | 41.6 | Very low | 47.8 | Very low | 141 Ų | 141 | 70 Ų | 70 | 87% | 0.865 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -20.3 | -173.4 | 43.4 | 0 | 0 | 0 | 0 | 115.7 | ||
| 560 | C | 34.8 | Very low | 48.7 | Very low | 117 Ų | 117 | 70.8 Ų | 70.8 | 79% | 0.791 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -9.1 | 176.4 | -52.1 | 0 | 0 | 0 | 0 | 114.8 | R558 | R558-C560 PolarHBondContact O-N 3.46Š|
| 561 | R | 39.3 | Very low | 49.2 | Very low | 153 Ų | 153 | 70.3 Ų | 70.3 | 58% | 0.577 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 134.4 | 179.9 | -63.3 | -165.9 | -173.5 | -173.7 | -0.6 | 110.9 | R558 D577 | R558-R561 WeakPolarHBondContact CA-O 3.42Å; R558-R561 WeakPolarHBondContact CB-O 3.49Å; R558-R561 PolarHBondContact N-O 3.27Å; R558-R561 CarbonylContact O-C 3.59Å; R558-R561 PolarHBondContact O-N 2.7Å; R558-R561 VanDerWaalsContact O-N 3.1Å; R558-R561 VanDerWaalsContact O-O 3.06Å; R561-D577 WeakPolarHBondContact CD-OD1 3.38Å; R561-D577 IonicContact CZ-OD1 3.69Å; R561-D577 IonicContact CZ-OD2 3.73Å; R561-D577 IonicContact NE-OD1 3.15Å; R561-D577 VanDerWaalsContact NH1-CG 3.25Å; R561-D577 IonicContact NH1-OD1 2.65Å; R561-D577 PolarHBondContact NH1-OD1 3.09Å; R561-D577 IonicContact NH1-OD2 3.96Å; R561-D577 PolarHBondContact NH1-OD2 3.08Å |
| 562 | S | 44 | Very low | 49.8 | Very low | 23 Ų | 23 | 76.5 Ų | 76.5 | 16% | 0.161 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 137.9 | 160.6 | -64.6 | 0 | 0 | 0 | 0 | 109.3 | H578 | S562-H578 WeakPolarHBondContact CB-O 3.1Å; S562-H578 CarbonylContact O-C 3.59Å; S562-H578 PolarHBondContact O-N 3.42Å; S562-H578 VanDerWaalsContact O-O 3.05Å |
| 563 | L | 47.2 | Very low | 50.4 | Low | 28 Ų | 28 | 77.7 Ų | 77.7 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 119.7 | 178.5 | -70.7 | 168.2 | 0 | 0 | 0 | 108.7 | L555 L556 C575 T576 | L555-L563 WeakPolarHBondContact CA-O 3.29Å; L556-L563 HydrophobicContact CB-CB 3.98Å; L556-L563 PolarHBondContact N-O 2.71Å; L556-L563 PolarHBondContact O-N 2.7Å; L563-C575 HydrophobicContact CB-CB 4.3Å; L563-C575 HydrophobicContact CD2-CB 4.43Å; L563-T576 CarbonylContact C-O 3.52Å; L563-T576 WeakPolarHBondContact CA-O 3.42Å |
| 564 | L | 55.4 | Low | 50.8 | Low | 29 Ų | 29 | 74.2 Ų | 74.2 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.1 | 168.3 | -174.7 | 68.6 | 0 | 0 | 0 | 108 | R553 L555 C575 T576 H578 | R553-L564 HydrophobicContact CB-CD1 3.98Å; R553-L564 HydrophobicContact CG-CD1 4.38Å; L555-L564 HydrophobicContact CD1-CB 4.27Å; L555-L564 HydrophobicContact CD1-CD1 4.23Å; L564-C575 WeakPolarHBondContact O-CA 3.14Å; L564-T576 PolarHBondContact N-O 3.49Å; L564-T576 PolarHBondContact O-N 3.31Å; L564-T576 PolarHBondContact O-OG1 2.76Å; L564-H578 HydrophobicContact CB-CB 3.72Å |
| 565 | C | 56.9 | Low | 50.7 | Low | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.2 | -175.7 | -55 | 0 | 0 | 0 | 0 | 110.8 | R553 L554 L556 W573 V574 C575 | R553-C565 CarbonylContact C-O 3.51Å; R553-C565 WeakPolarHBondContact CA-O 3.42Å; L554-C565 HydrophobicContact CB-CB 4.43Å; L554-C565 PolarHBondContact N-O 2.74Å; L554-C565 PolarHBondContact O-N 3.32Å; L556-C565 HydrophobicContact CD1-CB 4.5Å; L556-C565 VanDerWaalsContact CD1-SG 3.5Å; C565-W573 HydrophobicContact CB-CB 4.38Å; C565-W573 HydrophobicContact CB-CD2 4.49Å; C565-W573 HydrophobicContact CB-CE3 3.84Å; C565-V574 CarbonylContact C-O 3.42Å; C565-V574 WeakPolarHBondContact CA-O 3.37Å; C565-C575 HydrophobicContact CB-CB 4.08Å; C565-C575 WeakPolarHBondContact CB-SG 3.12Å; C565-C575 WeakPolarHBondContact SG-CB 3.44Å; C565-C575 CovalentContact SG-SG 2.03Å; C565-C575 PolarHBondContact SG-SG 3.49Å |
| 566 | I | 57.7 | Low | 50.5 | Low | 67 Ų | 67 | 79.6 Ų | 79.6 | 34% | 0.344 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 132.5 | 177.8 | -60.6 | 176.1 | 0 | 0 | 0 | 108.6 | S552 R553 A568 V574 | S552-I566 WeakPolarHBondContact O-CA 3.47Å; R553-I566 HydrophobicContact CG-CG1 4.18Å; I566-A568 PolarHBondContact O-N 3.46Å; I566-A568 VanDerWaalsContact O-N 3.16Å; I566-V574 PolarHBondContact N-O 3.38Å; I566-V574 PolarHBondContact O-N 2.94Å |
| 567 | C | 58.9 | Low | 50.3 | Low | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.007 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 108.7 | 170.5 | 177 | 0 | 0 | 0 | 0 | 109.1 | G551 S552 W573 C607 | G551-C567 PolarHBondContact N-O 2.72Å; S552-C567 PolarHBondContact O-N 3.4Å; S552-C567 VanDerWaalsContact O-N 3.14Å; C567-W573 HydrophobicContact CB-CE3 4.27Å; C567-W573 HydrophobicContact CB-CH2 4.25Å; C567-W573 HydrophobicContact CB-CZ3 3.95Å; C567-C607 HydrophobicContact CB-CB 3.61Å; C567-C607 WeakPolarHBondContact CB-SG 3.28Å; C567-C607 WeakPolarHBondContact SG-CB 3.35Å; C567-C607 CovalentContact SG-SG 2.04Å; C567-C607 PolarHBondContact SG-SG 3.49Å |
| 568 | A | 57.3 | Low | 50.4 | Low | 25 Ų | 25 | 81 Ų | 81 | 21% | 0.207 | 41% | 0.408 | C | S | . | . | trans | -76.4 | 164.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I566 D570 N571 R572 V574 | I566-A568 PolarHBondContact O-N 3.46Å; I566-A568 VanDerWaalsContact O-N 3.16Å; A568-D570 WeakPolarHBondContact CB-OD1 3.41Å; A568-D570 PolarHBondContact O-N 2.99Å; A568-D570 VanDerWaalsContact O-N 3.1Å; A568-N571 PolarHBondContact O-N 2.68Å; A568-R572 WeakPolarHBondContact CB-O 3.19Å; A568-R572 PolarHBondContact N-O 2.75Å; A568-V574 HydrophobicContact CB-CG2 3.72Å | ||
| 569 | K | 58.9 | Low | 50.5 | Low | 196 Ų | 196 | 78.5 Ų | 78.5 | 85% | 0.852 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.7 | -176.7 | -70.7 | -172.4 | 174.7 | -175 | 0 | 114.6 | N571 | K569-N571 VanDerWaalsContact C-N 3.32Š|
| 570 | D | 64.1 | Low | 50.2 | Low | 92 Ų | 92 | 75.6 Ų | 75.6 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 14.8 | 176 | 70.6 | -25.6 | 0 | 0 | 0 | 113 | A568 R572 | A568-D570 WeakPolarHBondContact CB-OD1 3.41Å; A568-D570 PolarHBondContact O-N 2.99Å; A568-D570 VanDerWaalsContact O-N 3.1Å; D570-R572 PolarHBondContact O-N 2.69Å; D570-R572 WeakPolarHBondContact OD1-CB 3.22Å; D570-R572 PolarHBondContact OD1-N 3.37Å; D570-R572 WeakPolarHBondContact OD2-CD 3.48Å; D570-R572 WeakPolarHBondContact OD2-CG 3.42Å; D570-R572 IonicContact OD2-NE 2.9Å; D570-R572 PolarHBondContact OD2-NE 2.74Å |
| 571 | N | 55.6 | Low | 50 | Low | 62 Ų | 62 | 74.8 Ų | 74.8 | 33% | 0.332 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 63.4 | 24 | -178.7 | -52.7 | -26 | 0 | 0 | 0 | 114.1 | A568 K569 N608 | A568-N571 PolarHBondContact O-N 2.68Å; K569-N571 VanDerWaalsContact C-N 3.32Å; N571-N608 HydrophobicContact CB-CB 4.32Å; N571-N608 PolarHBondContact OD1-ND2 3.12Å |
| 572 | R | 55.4 | Low | 49.4 | Very low | 176 Ų | 176 | 73.2 Ų | 73.2 | 66% | 0.664 | 40% | 0.403 | S | S | * | . | trans | -104.7 | 148.2 | 173.9 | -59.1 | -172.7 | -174.5 | -175.7 | -1.5 | 111.6 | A568 D570 V574 | A568-R572 WeakPolarHBondContact CB-O 3.19Å; A568-R572 PolarHBondContact N-O 2.75Å; D570-R572 PolarHBondContact O-N 2.69Å; D570-R572 WeakPolarHBondContact OD1-CB 3.22Å; D570-R572 PolarHBondContact OD1-N 3.37Å; D570-R572 WeakPolarHBondContact OD2-CD 3.48Å; D570-R572 WeakPolarHBondContact OD2-CG 3.42Å; D570-R572 IonicContact OD2-NE 2.9Å; D570-R572 PolarHBondContact OD2-NE 2.74Å; R572-V574 PolarHBondContact O-N 2.67Å | ||
| 573 | W | 59.7 | Low | 48.6 | Very low | 48 Ų | 48 | 80.1 Ų | 80.1 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 116.3 | 171 | -69.7 | 110.6 | 0 | 0 | 0 | 110.6 | F548 L554 C565 C567 E605 C607 | F548-W573 HydrophobicContact CB-CH2 3.82Å; F548-W573 HydrophobicContact CB-CZ2 4.13Å; F548-W573 AromaticContact CD1-CH2 3.57Å; F548-W573 HydrophobicContact CD1-CH2 3.57Å; F548-W573 HydrophobicContact CD1-CZ2 4.27Å; F548-W573 AromaticContact CD2-CH2 3.74Å; F548-W573 HydrophobicContact CD2-CH2 3.74Å; F548-W573 AromaticContact CD2-CZ2 3.57Å; F548-W573 HydrophobicContact CD2-CZ2 3.57Å; F548-W573 AromaticContact CE1-CH2 3.98Å; F548-W573 HydrophobicContact CE1-CH2 3.98Å; F548-W573 HydrophobicContact CE2-CH2 4.15Å; F548-W573 AromaticContact CE2-CZ2 3.97Å; F548-W573 HydrophobicContact CE2-CZ2 3.97Å; F548-W573 AromaticContact CG-CH2 3.41Å; F548-W573 HydrophobicContact CG-CH2 3.41Å; F548-W573 VanDerWaalsContact CG-CH2 3.41Å; F548-W573 AromaticContact CG-CZ2 3.72Å; F548-W573 HydrophobicContact CG-CZ2 3.72Å; F548-W573 HydrophobicContact CZ-CH2 4.25Å; F548-W573 HydrophobicContact CZ-CZ2 4.46Å; L554-W573 HydrophobicContact CB-CE3 4.14Å; L554-W573 HydrophobicContact CB-CH2 3.54Å; L554-W573 HydrophobicContact CB-CZ2 4.24Å; L554-W573 HydrophobicContact CB-CZ3 3.49Å; L554-W573 VanDerWaalsContact CB-CZ3 3.49Å; L554-W573 HydrophobicContact CD2-CD2 4.25Å; L554-W573 HydrophobicContact CD2-CE3 4.4Å; L554-W573 HydrophobicContact CD2-CH2 4.17Å; L554-W573 HydrophobicContact CD2-CZ2 4.01Å; L554-W573 HydrophobicContact CD2-CZ3 4.37Å; L554-W573 HydrophobicContact CG-CH2 4.31Å; C565-W573 HydrophobicContact CB-CB 4.38Å; C565-W573 HydrophobicContact CB-CD2 4.49Å; C565-W573 HydrophobicContact CB-CE3 3.84Å; C567-W573 HydrophobicContact CB-CE3 4.27Å; C567-W573 HydrophobicContact CB-CH2 4.25Å; C567-W573 HydrophobicContact CB-CZ3 3.95Å; W573-E605 PolarHBondContact NE1-O 3.26Å; W573-C607 HydrophobicContact CH2-CB 4.16Å; W573-C607 HydrophobicContact CZ2-CB 3.65Å |
| 574 | V | 50.8 | Low | 47.6 | Very low | 83 Ų | 83 | 87.2 Ų | 87.2 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 106.4 | 171.1 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | C565 I566 A568 R572 | C565-V574 CarbonylContact C-O 3.42Å; C565-V574 WeakPolarHBondContact CA-O 3.37Å; I566-V574 PolarHBondContact N-O 3.38Å; I566-V574 PolarHBondContact O-N 2.94Å; A568-V574 HydrophobicContact CB-CG2 3.72Å; R572-V574 PolarHBondContact O-N 2.67Å |
| 575 | C | 50.8 | Low | 46.4 | Very low | 56 Ų | 56 | 88.8 Ų | 88.8 | 38% | 0.378 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 137.2 | -174.7 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | L563 L564 C565 | L563-C575 HydrophobicContact CB-CB 4.3Å; L563-C575 HydrophobicContact CD2-CB 4.43Å; L564-C575 WeakPolarHBondContact O-CA 3.14Å; C565-C575 HydrophobicContact CB-CB 4.08Å; C565-C575 WeakPolarHBondContact CB-SG 3.12Å; C565-C575 WeakPolarHBondContact SG-CB 3.44Å; C565-C575 CovalentContact SG-SG 2.03Å; C565-C575 PolarHBondContact SG-SG 3.49Å |
| 576 | T | 46.1 | Very low | 45.2 | Very low | 81 Ų | 81 | 94.2 Ų | 94.2 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 145.1 | 170.8 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | L563 L564 H578 | L563-T576 CarbonylContact C-O 3.52Å; L563-T576 WeakPolarHBondContact CA-O 3.42Å; L564-T576 PolarHBondContact N-O 3.49Å; L564-T576 PolarHBondContact O-N 3.31Å; L564-T576 PolarHBondContact O-OG1 2.76Å; T576-H578 PolarHBondContact O-N 3.36Å |
| 577 | D | 44.1 | Very low | 44 | Very low | 96 Ų | 96 | 98.4 Ų | 98.4 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 124.1 | 171.6 | -69.8 | -39.7 | 0 | 0 | 0 | 110.1 | R561 | R561-D577 WeakPolarHBondContact CD-OD1 3.38Å; R561-D577 IonicContact CZ-OD1 3.69Å; R561-D577 IonicContact CZ-OD2 3.73Å; R561-D577 IonicContact NE-OD1 3.15Å; R561-D577 VanDerWaalsContact NH1-CG 3.25Å; R561-D577 IonicContact NH1-OD1 2.65Å; R561-D577 PolarHBondContact NH1-OD1 3.09Å; R561-D577 IonicContact NH1-OD2 3.96Å; R561-D577 PolarHBondContact NH1-OD2 3.08Å |
| 578 | H | 40.3 | Very low | 42.8 | Very low | 60 Ų | 60 | 100.1 Ų | 100.1 | 28% | 0.278 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 105 | 174.9 | -175.2 | 63.3 | 0 | 0 | 0 | 109 | L555 S562 L564 T576 P580 | L555-H578 HydrophobicContact CD1-CB 4.23Å; S562-H578 WeakPolarHBondContact CB-O 3.1Å; S562-H578 CarbonylContact O-C 3.59Å; S562-H578 PolarHBondContact O-N 3.42Å; S562-H578 VanDerWaalsContact O-O 3.05Å; L564-H578 HydrophobicContact CB-CB 3.72Å; T576-H578 PolarHBondContact O-N 3.36Å; H578-P580 VanDerWaalsContact O-CD 3.29Å; H578-P580 WeakPolarHBondContact O-CD 3.45Å |
| 579 | C | 40.5 | Very low | 41.6 | Very low | 115 Ų | 115 | 102.6 Ų | 102.6 | 78% | 0.777 | 55% | 0.55 | S | S | * | * | trans | -76.1 | 114.3 | 157.6 | -65.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 580 | P | 36.4 | Very low | 40.4 | Very low | 79 Ų | 79 | 100 Ų | 100 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | trans | -58.4 | 135 | 168.5 | 25.2 | -32.4 | 0 | 0 | 0 | 108.5 | H578 | H578-P580 VanDerWaalsContact O-CD 3.29Å; H578-P580 WeakPolarHBondContact O-CD 3.45Å | ||
| 581 | P | 30.3 | Very low | 39.2 | Very low | 100 Ų | 100 | 101.1 Ų | 101.1 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | trans | -64.1 | 142.2 | 179.9 | 26.5 | -33.6 | 0 | 0 | 0 | 110.5 | E583 | P581-E583 PolarHBondContact O-N 2.81Š| ||
| 582 | C | 27.9 | Very low | 38.4 | Very low | 121 Ų | 121 | 102.4 Ų | 102.4 | 82% | 0.818 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -74.1 | -0.7 | -177.3 | -58.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 583 | E | 27.2 | Very low | 37.6 | Very low | 167 Ų | 167 | 103.8 Ų | 103.8 | 78% | 0.78 | 56% | 0.559 | S | S | * | * | trans | -93.5 | 103.6 | 175 | -76.1 | -176.6 | 126.1 | 0 | 0 | 110.5 | P581 S585 | P581-E583 PolarHBondContact O-N 2.81Å; E583-S585 PolarHBondContact O-N 3.01Å | ||
| 584 | Q | 24.9 | Very low | 36.7 | Very low | 178 Ų | 178 | 109 Ų | 109 | 83% | 0.832 | 59% | 0.585 | S | S | * | * | trans | -73.7 | 71.2 | 170.1 | -65.4 | -179.4 | 1.9 | 0 | 0 | 110.6 | ||||
| 585 | S | 30.1 | Very low | 36.3 | Very low | 62 Ų | 62 | 107.2 Ų | 107.2 | 43% | 0.434 | 57% | 0.572 | S | S | . | * | trans | -68 | 131.8 | 161.9 | 61.8 | 0 | 0 | 0 | 0 | 108.7 | E583 E587 S588 | E583-S585 PolarHBondContact O-N 3.01Å; S585-E587 PolarHBondContact O-N 3.22Å; S585-S588 WeakPolarHBondContact O-CB 3.26Å; S585-S588 PolarHBondContact O-N 2.86Å; S585-S588 PolarHBondContact O-OG 3.03Å | ||
| 586 | V | 33.2 | Very low | 35.8 | Very low | 113 Ų | 113 | 108.9 Ų | 108.9 | 69% | 0.685 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.5 | -30.5 | -176.5 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | S588 I589 | V586-S588 VanDerWaalsContact C-N 3.26Å; V586-S588 PolarHBondContact O-N 3.21Å; V586-I589 VanDerWaalsContact O-CB 3.31Å; V586-I589 WeakPolarHBondContact O-CB 3.26Å; V586-I589 PolarHBondContact O-N 3.32Å |
| 587 | E | 32 | Very low | 35.8 | Very low | 155 Ų | 155 | 110.4 Ų | 110.4 | 72% | 0.724 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.5 | -23.3 | 174.7 | -61.7 | 169.9 | 154.9 | 0 | 0 | 113.5 | S585 I589 N591 | S585-E587 PolarHBondContact O-N 3.22Å; E587-I589 VanDerWaalsContact C-N 3.33Å; E587-N591 PolarHBondContact O-ND2 2.9Å; E587-N591 VanDerWaalsContact O-ND2 3.17Å |
| 588 | S | 33.1 | Very low | 35.8 | Very low | 37 Ų | 37 | 107.6 Ų | 107.6 | 26% | 0.259 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.6 | -29.2 | 171.1 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | S585 V586 N591 L592 | S585-S588 WeakPolarHBondContact O-CB 3.26Å; S585-S588 PolarHBondContact O-N 2.86Å; S585-S588 PolarHBondContact O-OG 3.03Å; V586-S588 VanDerWaalsContact C-N 3.26Å; V586-S588 PolarHBondContact O-N 3.21Å; S588-N591 PolarHBondContact O-N 3.42Å; S588-L592 VanDerWaalsContact O-CB 3.31Å; S588-L592 WeakPolarHBondContact O-CB 3.25Å; S588-L592 WeakPolarHBondContact O-CD1 3.37Å; S588-L592 WeakPolarHBondContact O-CG 3.27Å; S588-L592 PolarHBondContact O-N 3.36Å |
| 589 | I | 32.2 | Very low | 36.1 | Very low | 77 Ų | 77 | 109.4 Ų | 109.4 | 40% | 0.395 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.2 | -41.6 | -177.4 | -57.9 | 176.6 | 0 | 0 | 0 | 110.6 | V586 E587 L592 R593 | V586-I589 VanDerWaalsContact O-CB 3.31Å; V586-I589 WeakPolarHBondContact O-CB 3.26Å; V586-I589 PolarHBondContact O-N 3.32Å; E587-I589 VanDerWaalsContact C-N 3.33Å; I589-L592 PolarHBondContact O-N 3.34Å; I589-R593 WeakPolarHBondContact O-CG 3.43Å; I589-R593 PolarHBondContact O-N 2.89Å |
| 590 | E | 34.2 | Very low | 36.1 | Very low | 141 Ų | 141 | 115.5 Ų | 115.5 | 66% | 0.659 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.7 | -40.2 | 176.8 | -65.5 | -165.6 | 144.5 | 0 | 0 | 111.8 | R593 H594 | E590-R593 PolarHBondContact O-N 3.08Å; E590-H594 PolarHBondContact O-CD2 2.87Å; E590-H594 VanDerWaalsContact O-CD2 3.28Å |
| 591 | N | 38.2 | Very low | 36.2 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 62% | 0.62 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.3 | -33 | 174.5 | -76.6 | -66.7 | 0 | 0 | 0 | 113.3 | E587 S588 R593 H594 | E587-N591 PolarHBondContact O-ND2 2.9Å; E587-N591 VanDerWaalsContact O-ND2 3.17Å; S588-N591 PolarHBondContact O-N 3.42Å; N591-R593 VanDerWaalsContact C-N 3.35Å; N591-H594 PolarHBondContact O-N 2.92Å |
| 592 | L | 38.3 | Very low | 36.5 | Very low | 89 Ų | 89 | 120.9 Ų | 120.9 | 47% | 0.466 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.9 | -32.8 | 174.3 | -89.1 | 157.3 | 0 | 0 | 0 | 112.5 | S588 I589 H594 I595 | S588-L592 VanDerWaalsContact O-CB 3.31Å; S588-L592 WeakPolarHBondContact O-CB 3.25Å; S588-L592 WeakPolarHBondContact O-CD1 3.37Å; S588-L592 WeakPolarHBondContact O-CG 3.27Å; S588-L592 PolarHBondContact O-N 3.36Å; I589-L592 PolarHBondContact O-N 3.34Å; L592-H594 PolarHBondContact O-N 3.04Å; L592-I595 HydrophobicContact CD2-CD1 4.11Å; L592-I595 PolarHBondContact O-N 3.23Å |
| 593 | R | 40.3 | Very low | 37.2 | Very low | 206 Ų | 206 | 121 Ų | 121 | 78% | 0.777 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -19 | 173.2 | -74.4 | -179.6 | -177.3 | -161.5 | 2.8 | 113.6 | I589 E590 N591 | I589-R593 WeakPolarHBondContact O-CG 3.43Å; I589-R593 PolarHBondContact O-N 2.89Å; E590-R593 PolarHBondContact O-N 3.08Å; N591-R593 VanDerWaalsContact C-N 3.35Å |
| 594 | H | 40.4 | Very low | 38.2 | Very low | 157 Ų | 157 | 116.2 Ų | 116.2 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -3.2 | 174.9 | -64.9 | -56.5 | 0 | 0 | 0 | 114 | E590 N591 L592 L596 | E590-H594 PolarHBondContact O-CD2 2.87Å; E590-H594 VanDerWaalsContact O-CD2 3.28Å; N591-H594 PolarHBondContact O-N 2.92Å; L592-H594 PolarHBondContact O-N 3.04Å; H594-L596 PolarHBondContact O-N 2.79Å |
| 595 | I | 41.8 | Very low | 39.5 | Very low | 46 Ų | 46 | 112.9 Ų | 112.9 | 24% | 0.236 | 57% | 0.574 | C | S | . | * | S | Bend | trans | -90.1 | 105.3 | 174.8 | -55.6 | -178.1 | 0 | 0 | 0 | 108.7 | L555 L592 L597 | L555-I595 HydrophobicContact CB-CG2 3.71Å; L592-I595 HydrophobicContact CD2-CD1 4.11Å; L592-I595 PolarHBondContact O-N 3.23Å; I595-L597 PolarHBondContact O-N 3.41Å |
| 596 | L | 41.1 | Very low | 40.6 | Very low | 90 Ų | 90 | 118.6 Ų | 118.6 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 132.9 | 175.2 | -72.4 | 157 | 0 | 0 | 0 | 110.2 | F548 L554 H594 | F548-L596 HydrophobicContact CD1-CD1 4.24Å; F548-L596 HydrophobicContact CE1-CB 3.73Å; F548-L596 HydrophobicContact CE1-CD1 3.44Å; F548-L596 VanDerWaalsContact CE1-CD1 3.44Å; F548-L596 HydrophobicContact CE1-CG 4.21Å; F548-L596 HydrophobicContact CE2-CD1 4.42Å; F548-L596 HydrophobicContact CZ-CB 3.54Å; F548-L596 HydrophobicContact CZ-CD1 3.54Å; F548-L596 HydrophobicContact CZ-CG 4.15Å; L554-L596 WeakPolarHBondContact CD1-O 3.36Å; H594-L596 PolarHBondContact O-N 2.79Å |
| 597 | L | 45.3 | Very low | 41.7 | Very low | 113 Ų | 113 | 113.5 Ų | 113.5 | 59% | 0.592 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 147.4 | 169.2 | -71.9 | 96.2 | 0 | 0 | 0 | 109.9 | I557 I595 | I557-L597 HydrophobicContact CD1-CD2 3.73Å; I557-L597 HydrophobicContact CG1-CD2 4.42Å; I595-L597 PolarHBondContact O-N 3.41Å |
| 598 | P | 45.1 | Very low | 42.9 | Very low | 37 Ų | 37 | 108.4 Ų | 108.4 | 24% | 0.24 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 144.8 | 174.2 | 29.1 | -36.2 | 0 | 0 | 0 | 111.5 | L555 L556 | L555-P598 VanDerWaalsContact O-CD 3.27Å; L555-P598 WeakPolarHBondContact O-CD 3.37Å; L556-P598 HydrophobicContact CD2-CB 4.31Å; L556-P598 HydrophobicContact CD2-CG 3.72Å; L556-P598 HydrophobicContact CG-CG 4.02Å |
| 599 | P | 44.9 | Very low | 43.2 | Very low | 98 Ų | 98 | 113.1 Ų | 113.1 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 139.3 | 168.1 | -22.1 | 33.3 | 0 | 0 | 0 | 110.9 | D601 | P599-D601 VanDerWaalsContact C-N 3.3Å; P599-D601 PolarHBondContact O-N 3.42Å |
| 600 | R | 40.6 | Very low | 43.4 | Very low | 243 Ų | 243 | 114.3 Ų | 114.3 | 92% | 0.917 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -23.6 | -167.6 | -74 | -171.7 | 173.4 | -168.9 | -2.1 | 115.2 | ||
| 601 | D | 39.3 | Very low | 43.3 | Very low | 157 Ų | 157 | 114.3 Ų | 114.3 | 84% | 0.84 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | 23.6 | -164.8 | -50.4 | -56 | 0 | 0 | 0 | 114.7 | P599 | P599-D601 VanDerWaalsContact C-N 3.3Å; P599-D601 PolarHBondContact O-N 3.42Å |
| 602 | K | 36.5 | Very low | 42.7 | Very low | 136 Ų | 136 | 113 Ų | 113 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -133.5 | 149.3 | 175.4 | -75.1 | -174.8 | 171.4 | -175.7 | 0 | 112.4 | E605 | K602-E605 WeakPolarHBondContact CD-OE1 3.39Å; K602-E605 IonicContact NZ-OE1 2.76Å; K602-E605 PolarHBondContact NZ-OE1 3.27Å |
| 603 | C | 43.5 | Very low | 42.2 | Very low | 122 Ų | 122 | 110.6 Ų | 110.6 | 82% | 0.824 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 145.1 | 158.7 | -64 | 0 | 0 | 0 | 0 | 109.7 | E605 | C603-E605 PolarHBondContact O-N 2.8Å; C603-E605 VanDerWaalsContact O-N 3.09Å |
| 604 | C | 47 | Very low | 41.6 | Very low | 68 Ų | 68 | 105.6 Ų | 105.6 | 46% | 0.459 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 116.1 | -175.2 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 605 | E | 52.2 | Low | 40.7 | Very low | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 154.9 | 175 | -68.7 | 176.3 | 175.9 | 0 | 0 | 110.8 | W573 K602 C603 | W573-E605 PolarHBondContact NE1-O 3.26Å; K602-E605 WeakPolarHBondContact CD-OE1 3.39Å; K602-E605 IonicContact NZ-OE1 2.76Å; K602-E605 PolarHBondContact NZ-OE1 3.27Å; C603-E605 PolarHBondContact O-N 2.8Å; C603-E605 VanDerWaalsContact O-N 3.09Å |
| 606 | R | 53.2 | Low | 39.9 | Very low | 182 Ų | 182 | 107.5 Ų | 107.5 | 69% | 0.687 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -69 | 133.8 | 178.3 | -71.3 | 178.8 | 177 | 170.3 | 0.3 | 108.8 | N608 E609 | R606-N608 PolarHBondContact O-N 3Å; R606-E609 PolarHBondContact O-N 3.23Å |
| 607 | C | 57.4 | Low | 39.1 | Very low | 7 Ų | 7 | 108.5 Ų | 108.5 | 5% | 0.047 | 55% | 0.551 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63 | 1.2 | -170.6 | 43.4 | 0 | 0 | 0 | 0 | 117 | F548 C567 W573 | F548-C607 HydrophobicContact CB-CB 3.66Å; C567-C607 HydrophobicContact CB-CB 3.61Å; C567-C607 WeakPolarHBondContact CB-SG 3.28Å; C567-C607 WeakPolarHBondContact SG-CB 3.35Å; C567-C607 CovalentContact SG-SG 2.04Å; C567-C607 PolarHBondContact SG-SG 3.49Å; W573-C607 HydrophobicContact CH2-CB 4.16Å; W573-C607 HydrophobicContact CZ2-CB 3.65Å |
| 608 | N | 55.9 | Low | 38.1 | Very low | 48 Ų | 48 | 109 Ų | 109 | 26% | 0.257 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -135.3 | 25.1 | -172.8 | -102.7 | -22.2 | 0 | 0 | 0 | 113.7 | D546 N571 R606 K610 | D546-N608 PolarHBondContact OD1-OD1 3.34Å; N571-N608 HydrophobicContact CB-CB 4.32Å; N571-N608 PolarHBondContact OD1-ND2 3.12Å; R606-N608 PolarHBondContact O-N 3Å; N608-K610 PolarHBondContact O-N 2.72Å |
| 609 | E | 40 | Very low | 37 | Very low | 136 Ų | 136 | 114.9 Ų | 114.9 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | trans | -77.6 | 86.9 | 169.9 | -78.9 | -179.6 | 152.9 | 0 | 0 | 111.1 | R606 | R606-E609 PolarHBondContact O-N 3.23Š| ||
| 610 | K | 36.7 | Very low | 36 | Very low | 102 Ų | 102 | 117.4 Ų | 117.4 | 44% | 0.443 | 59% | 0.586 | S | S | . | * | trans | -67.6 | 131.8 | -178.9 | -71.6 | -173.6 | 161 | -162.9 | 0 | 113.5 | D546 N608 | D546-K610 WeakPolarHBondContact OD1-CE 3.1Å; D546-K610 VanDerWaalsContact OD1-CG 3.31Å; D546-K610 WeakPolarHBondContact OD1-CG 3.32Å; D546-K610 IonicContact OD1-NZ 3.76Å; D546-K610 WeakPolarHBondContact OD2-CE 3.48Å; D546-K610 IonicContact OD2-NZ 2.7Å; D546-K610 PolarHBondContact OD2-NZ 2.92Å; N608-K610 PolarHBondContact O-N 2.72Å | ||
| 611 | I | 31.3 | Very low | 35.3 | Very low | 141 Ų | 141 | 111.7 Ų | 111.7 | 72% | 0.723 | 58% | 0.578 | S | S | * | * | trans | -129.4 | 143.4 | 159.2 | -60.7 | -177 | 0 | 0 | 0 | 110 | ||||
| 612 | N | 26.3 | Very low | 34.8 | Very low | 87 Ų | 87 | 113 Ų | 113 | 47% | 0.465 | 58% | 0.58 | S | S | . | * | B | Isolated β-bridge | trans | -81.6 | 151.1 | -171.9 | -79.8 | -15.3 | 0 | 0 | 0 | 112.7 | Y544 | Y544-N612 VanDerWaalsContact CD2-C 3.46Å; Y544-N612 WeakPolarHBondContact CD2-O 3.07Å |
| 613 | T | 28.7 | Very low | 34.4 | Very low | 39 Ų | 39 | 113.9 Ų | 113.9 | 24% | 0.239 | 59% | 0.591 | C | S | . | * | cis | 173.4 | 173.6 | 8.1 | 35.1 | 0 | 0 | 0 | 0 | 110 | I541 I542 | I541-T613 HydrophobicContact CG2-CG2 3.34Å; I542-T613 CarbonylContact O-C 3.55Å; I542-T613 VanDerWaalsContact O-C 3.26Å; I542-T613 WeakPolarHBondContact O-CA 3.24Å; I542-T613 WeakPolarHBondContact O-CB 3.42Å; I542-T613 WeakPolarHBondContact O-CG2 3.08Å | ||
| 614 | V | 25.7 | Very low | 33.6 | Very low | 101 Ų | 101 | 114.9 Ų | 114.9 | 61% | 0.612 | 58% | 0.581 | S | S | * | * | trans | 97.7 | 137.2 | 154.8 | 175.6 | 0 | 0 | 0 | 0 | 117.5 | I542 | I542-V614 HydrophobicContact CD1-CG2 4.44Å; I542-V614 PolarHBondContact O-N 3.3Å | ||
| 615 | H | 23.5 | Very low | 32.5 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 55% | 0.546 | 60% | 0.596 | S | S | . | * | cis | -178.2 | 169.2 | -18.1 | -157.8 | -0.2 | 0 | 0 | 0 | 112.2 | I542 | I542-H615 HydrophobicContact CG2-CB 4.38Š| ||
| 616 | I | 24.8 | Very low | 31.3 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 64% | 0.641 | 61% | 0.611 | S | S | * | * | trans | 75.2 | 102.1 | 155.5 | -71.9 | 163.2 | 0 | 0 | 0 | 117.8 | ||||
| 617 | T | 23.2 | Very low | 30.1 | Very low | 111 Ų | 111 | 118 Ų | 118 | 68% | 0.681 | 61% | 0.608 | S | S | * | * | 69.8 | 152.9 | 82.5 | 54.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 618 | N | 23.6 | Very low | 28.6 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 66% | 0.663 | 65% | 0.648 | S | S | * | * | cis | -158.3 | 158.8 | 10 | -126.3 | -11.3 | 0 | 0 | 0 | 113.2 | ||||
| 619 | Q | 22.8 | Very low | 27.1 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | trans | 26.9 | 130.6 | 141.1 | -66.8 | 177.2 | 14.6 | 0 | 0 | 121.9 | ||||
| 620 | L | 25.1 | Very low | 26.4 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | 96.2 | 138.7 | 53.4 | -165.5 | 81.1 | 0 | 0 | 0 | 113.7 | |||||
| 621 | T | 25.7 | Very low | 26 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | trans | 117.7 | 120 | 152.4 | 65.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 622 | Q | 28.4 | Very low | 25.7 | Very low | 186 Ų | 186 | 132.3 Ų | 132.3 | 87% | 0.869 | 70% | 0.701 | S | S | * | * | trans | -83.7 | 162.4 | 156.6 | -59.5 | 163.1 | -43.1 | 0 | 0 | 109.7 | ||||
| 623 | N | 27.2 | Very low | 25.7 | Very low | 153 Ų | 153 | 136 Ų | 136 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -164.4 | 164 | 154.9 | -114.8 | -34.4 | 0 | 0 | 0 | 114 | ||||
| 624 | K | 26.1 | Very low | 25.4 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | trans | 69 | 143.7 | 173.6 | -76 | 167.3 | 171.6 | 162.1 | 0 | 117.6 | F129 N130 | F129-K624 PolarHBondContact O-NZ 2.87Å; N130-K624 WeakPolarHBondContact O-CE 3.22Å; N130-K624 PolarHBondContact O-NZ 3.33Å; N130-K624 VanDerWaalsContact O-NZ 3.17Å | ||
| 625 | L | 25.7 | Very low | 25.3 | Very low | 149 Ų | 149 | 142 Ų | 142 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | cis | -161.6 | 147.2 | -29 | -149.6 | 83 | 0 | 0 | 0 | 110.2 | ||||
| 626 | K | 26.5 | Very low | 25.6 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -23.1 | 159.9 | 142.3 | -75.3 | 172.2 | 179 | 176.5 | 0 | 115.7 | ||||
| 627 | S | 26.8 | Very low | 25.6 | Very low | 89 Ų | 89 | 146.1 Ų | 146.1 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | cis | 176 | -178.6 | 6.4 | 43.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 628 | Q | 27.3 | Very low | 25.9 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | 82.3 | 146.1 | 162 | -59.6 | 170 | -6.1 | 0 | 0 | 115.8 | ||||
| 629 | G | 24.5 | Very low | 26.2 | Very low | 70 Ų | 70 | 151 Ų | 151 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | -174.2 | 156.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 630 | E | 24.7 | Very low | 26.5 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -68.2 | 142.6 | -173.7 | -66.3 | 162.9 | 112 | 0 | 0 | 113.5 | ||||
| 631 | I | 29 | Very low | 26.8 | Very low | 171 Ų | 171 | 149 Ų | 149 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -128.9 | 121 | 159.6 | -61.6 | 178.7 | 0 | 0 | 0 | 108.1 | ||||
| 632 | V | 23.6 | Very low | 27 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | -115.2 | 139.5 | 171.8 | 173 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 633 | I | 26.1 | Very low | 27 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -175.8 | 161.8 | 144.7 | -95.1 | 150.5 | 0 | 0 | 0 | 109.6 | ||||
| 634 | Q | 23.7 | Very low | 27.4 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -97 | 155 | -151.7 | -60.6 | 158 | -69.7 | 0 | 0 | 116.2 | ||||
| 635 | A | 23.8 | Very low | 28.1 | Very low | 90 Ų | 90 | 150.7 Ų | 150.7 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | 31.7 | 130.1 | 136.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 636 | N | 28.4 | Very low | 28.7 | Very low | 171 Ų | 171 | 148 Ų | 148 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -142.7 | 144.9 | 145 | -104.2 | -34.4 | 0 | 0 | 0 | 110.6 | ||||
| 637 | N | 26.3 | Very low | 29.4 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -88.4 | 145.7 | -175.9 | -68.1 | -45.7 | 0 | 0 | 0 | 112.2 | ||||
| 638 | Q | 29.7 | Very low | 30.1 | Very low | 199 Ų | 199 | 147.7 Ų | 147.7 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | trans | -156.3 | 133 | 147.3 | -114.4 | 166.2 | 12.5 | 0 | 0 | 112 | ||||
| 639 | T | 29.7 | Very low | 30.9 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -83.9 | 145 | -176.6 | 41 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 640 | N | 28.5 | Very low | 32 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | -145.5 | 113.3 | 163.3 | -154.6 | -3.7 | 0 | 0 | 0 | 111.6 | ||||
| 641 | P | 30.6 | Very low | 33.2 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | -98 | 94.2 | -172.2 | 35.6 | -30.6 | 0 | 0 | 0 | 112.1 | ||||
| 642 | H | 30.5 | Very low | 34.2 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 83% | 0.833 | 71% | 0.71 | S | S | * | * | trans | -145.7 | 22.6 | 170.7 | -135.3 | -67.6 | 0 | 0 | 0 | 114.5 | ||||
| 643 | Y | 29.4 | Very low | 35.7 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | trans | -126.7 | 27.2 | -169.3 | -128.3 | -88.9 | 0 | 0 | 0 | 114.1 | N646 | Y643-N646 HydrophobicContact CD1-CB 4.49Å; Y643-N646 HydrophobicContact CE1-CB 4.42Å | ||
| 644 | L | 35.5 | Very low | 37.2 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -92.9 | -30.7 | -174.4 | -145.2 | 71.5 | 0 | 0 | 0 | 114.4 | N646 E647 | L644-N646 PolarHBondContact O-N 2.75Å; L644-E647 PolarHBondContact O-N 3.02Å |
| 645 | D | 39.6 | Very low | 38.9 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 78% | 0.775 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.2 | -26.1 | -179.3 | -70.2 | -34.8 | 0 | 0 | 0 | 113.5 | E647 | D645-E647 VanDerWaalsContact C-N 3.3Å; D645-E647 PolarHBondContact O-N 2.78Å |
| 646 | N | 39.6 | Very low | 40.6 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 49% | 0.492 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -71.7 | -23.2 | 173.5 | -79.8 | -18.6 | 0 | 0 | 0 | 112.6 | Y643 L644 N650 | Y643-N646 HydrophobicContact CD1-CB 4.49Å; Y643-N646 HydrophobicContact CE1-CB 4.42Å; L644-N646 PolarHBondContact O-N 2.75Å; N646-N650 WeakPolarHBondContact O-CB 3.42Å; N646-N650 PolarHBondContact O-N 3.12Å |
| 647 | E | 40.3 | Very low | 42.4 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 53% | 0.528 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -72.1 | -42.9 | -178.6 | -99.5 | -171.3 | 150.6 | 0 | 0 | 112.6 | L644 D645 A649 N650 I651 | L644-E647 PolarHBondContact O-N 3.02Å; D645-E647 VanDerWaalsContact C-N 3.3Å; D645-E647 PolarHBondContact O-N 2.78Å; E647-A649 VanDerWaalsContact C-N 3.34Å; E647-A649 PolarHBondContact O-N 2.86Å; E647-N650 CarbonylContact O-C 3.59Å; E647-N650 PolarHBondContact O-N 2.73Å; E647-I651 WeakPolarHBondContact O-CD1 3.39Å; E647-I651 WeakPolarHBondContact O-CG1 3.41Å; E647-I651 PolarHBondContact O-N 2.75Å |
| 648 | Q | 42.2 | Very low | 44.6 | Very low | 155 Ų | 155 | 123 Ų | 123 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.2 | -33.2 | 177.9 | -85.3 | -176.3 | -22.6 | 0 | 0 | 113.1 | S652 | Q648-S652 PolarHBondContact O-N 2.76Å |
| 649 | A | 43.7 | Very low | 46.5 | Very low | 58 Ų | 58 | 119.3 Ų | 119.3 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63 | -46.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E647 S652 T653 | E647-A649 VanDerWaalsContact C-N 3.34Å; E647-A649 PolarHBondContact O-N 2.86Å; A649-S652 PolarHBondContact O-N 3.46Å; A649-T653 PolarHBondContact O-N 2.79Å; A649-T653 VanDerWaalsContact O-N 3.11Å; A649-T653 PolarHBondContact O-OG1 2.04Å |
| 650 | N | 47.1 | Very low | 48.7 | Very low | 102 Ų | 102 | 116 Ų | 116 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.2 | -37 | 177.9 | -87.7 | -17.8 | 0 | 0 | 0 | 113.6 | N646 E647 S652 T653 E654 | N646-N650 WeakPolarHBondContact O-CB 3.42Å; N646-N650 PolarHBondContact O-N 3.12Å; E647-N650 CarbonylContact O-C 3.59Å; E647-N650 PolarHBondContact O-N 2.73Å; N650-S652 VanDerWaalsContact C-N 3.31Å; N650-S652 PolarHBondContact O-N 3.13Å; N650-T653 WeakPolarHBondContact CA-OG1 3.04Å; N650-T653 PolarHBondContact O-N 3.19Å; N650-T653 PolarHBondContact O-OG1 2.85Å; N650-T653 VanDerWaalsContact O-OG1 3.05Å; N650-E654 WeakPolarHBondContact O-CA 2.98Å; N650-E654 WeakPolarHBondContact O-CB 3.37Å; N650-E654 PolarHBondContact O-N 3.15Å |
| 651 | I | 49.5 | Very low | 51.1 | Low | 81 Ų | 81 | 112 Ų | 112 | 42% | 0.415 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.3 | -38.1 | 178.2 | -68.6 | 160 | 0 | 0 | 0 | 110.4 | E647 M655 | E647-I651 WeakPolarHBondContact O-CD1 3.39Å; E647-I651 WeakPolarHBondContact O-CG1 3.41Å; E647-I651 PolarHBondContact O-N 2.75Å; I651-M655 HydrophobicContact CG2-CE 3.86Å; I651-M655 WeakPolarHBondContact O-CB 3.47Å; I651-M655 WeakPolarHBondContact O-CG 3.48Å; I651-M655 PolarHBondContact O-N 2.81Å |
| 652 | S | 50.8 | Low | 53.6 | Low | 70 Ų | 70 | 113.4 Ų | 113.4 | 49% | 0.49 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.9 | -45.1 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | Q648 A649 N650 K656 | Q648-S652 PolarHBondContact O-N 2.76Å; A649-S652 PolarHBondContact O-N 3.46Å; N650-S652 VanDerWaalsContact C-N 3.31Å; N650-S652 PolarHBondContact O-N 3.13Å; S652-K656 PolarHBondContact O-N 2.82Å |
| 653 | T | 54.2 | Low | 55.9 | Low | 78 Ų | 78 | 110.3 Ų | 110.3 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.7 | -37.5 | 176.7 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | A649 N650 K656 L657 | A649-T653 PolarHBondContact O-N 2.79Å; A649-T653 VanDerWaalsContact O-N 3.11Å; A649-T653 PolarHBondContact O-OG1 2.04Å; N650-T653 WeakPolarHBondContact CA-OG1 3.04Å; N650-T653 PolarHBondContact O-N 3.19Å; N650-T653 PolarHBondContact O-OG1 2.85Å; N650-T653 VanDerWaalsContact O-OG1 3.05Å; T653-K656 PolarHBondContact O-N 3.3Å; T653-L657 VanDerWaalsContact O-CB 3.25Å; T653-L657 WeakPolarHBondContact O-CB 3.17Å; T653-L657 PolarHBondContact O-N 2.93Å |
| 654 | E | 59 | Low | 58.5 | Low | 91 Ų | 91 | 109.9 Ų | 109.9 | 43% | 0.425 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.5 | -38.4 | 178.6 | -160.9 | -154.4 | -168.1 | 0 | 0 | 111.7 | N650 L657 K658 | N650-E654 WeakPolarHBondContact O-CA 2.98Å; N650-E654 WeakPolarHBondContact O-CB 3.37Å; N650-E654 PolarHBondContact O-N 3.15Å; E654-L657 PolarHBondContact O-N 2.81Å; E654-K658 VanDerWaalsContact CD-CE 3.45Å; E654-K658 HydrophobicContact CG-CD 4.28Å; E654-K658 VanDerWaalsContact O-CB 3.28Å; E654-K658 WeakPolarHBondContact O-CB 3.44Å; E654-K658 VanDerWaalsContact O-CG 3.29Å; E654-K658 WeakPolarHBondContact O-CG 3.11Å; E654-K658 PolarHBondContact O-N 2.81Å; E654-K658 WeakPolarHBondContact OE1-CE 3.47Å; E654-K658 IonicContact OE1-NZ 3.78Å; E654-K658 PolarHBondContact OE1-NZ 2.91Å; E654-K658 IonicContact OE2-NZ 2.75Å; E654-K658 PolarHBondContact OE2-NZ 2.88Å |
| 655 | M | 58.9 | Low | 60.8 | Low | 133 Ų | 133 | 108.3 Ų | 108.3 | 66% | 0.655 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.4 | -42.7 | 171.2 | -74.5 | -164.5 | -163.8 | 0 | 0 | 111.9 | I651 K658 L659 | I651-M655 HydrophobicContact CG2-CE 3.86Å; I651-M655 WeakPolarHBondContact O-CB 3.47Å; I651-M655 WeakPolarHBondContact O-CG 3.48Å; I651-M655 PolarHBondContact O-N 2.81Å; M655-K658 PolarHBondContact O-N 2.85Å; M655-L659 WeakPolarHBondContact O-CB 3.1Å; M655-L659 PolarHBondContact O-N 2.79Å |
| 656 | K | 58.9 | Low | 62.9 | Low | 150 Ų | 150 | 106.1 Ų | 106.1 | 65% | 0.652 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 173.8 | -89.6 | 179.8 | 173.8 | 173.8 | 0 | 112.1 | S652 T653 L659 T660 | S652-K656 PolarHBondContact O-N 2.82Å; T653-K656 PolarHBondContact O-N 3.3Å; K656-L659 PolarHBondContact O-N 3.27Å; K656-T660 PolarHBondContact O-N 2.79Å; K656-T660 PolarHBondContact O-OG1 2.68Å |
| 657 | L | 67.6 | Low | 65.1 | Low | 108 Ų | 108 | 105.9 Ų | 105.9 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.2 | -42.8 | 178.5 | -166.5 | 73 | 0 | 0 | 0 | 111 | T653 E654 L659 T660 V661 | T653-L657 VanDerWaalsContact O-CB 3.25Å; T653-L657 WeakPolarHBondContact O-CB 3.17Å; T653-L657 PolarHBondContact O-N 2.93Å; E654-L657 PolarHBondContact O-N 2.81Å; L657-L659 VanDerWaalsContact C-N 3.27Å; L657-L659 PolarHBondContact O-N 2.85Å; L657-T660 WeakPolarHBondContact CA-OG1 3.22Å; L657-T660 PolarHBondContact O-N 3.37Å; L657-T660 PolarHBondContact O-OG1 3.12Å; L657-T660 VanDerWaalsContact O-OG1 3.13Å; L657-V661 HydrophobicContact CG-CG2 4.32Å; L657-V661 WeakPolarHBondContact O-CB 3.41Å; L657-V661 WeakPolarHBondContact O-CG2 3.03Å; L657-V661 PolarHBondContact O-N 2.84Å |
| 658 | K | 72 | Confident | 67.2 | Low | 106 Ų | 106 | 106.6 Ų | 106.6 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -35.2 | 172.6 | -78 | 169.4 | -179.5 | 163.8 | 0 | 111.7 | E654 M655 K662 | E654-K658 VanDerWaalsContact CD-CE 3.45Å; E654-K658 HydrophobicContact CG-CD 4.28Å; E654-K658 VanDerWaalsContact O-CB 3.28Å; E654-K658 WeakPolarHBondContact O-CB 3.44Å; E654-K658 VanDerWaalsContact O-CG 3.29Å; E654-K658 WeakPolarHBondContact O-CG 3.11Å; E654-K658 PolarHBondContact O-N 2.81Å; E654-K658 WeakPolarHBondContact OE1-CE 3.47Å; E654-K658 IonicContact OE1-NZ 3.78Å; E654-K658 PolarHBondContact OE1-NZ 2.91Å; E654-K658 IonicContact OE2-NZ 2.75Å; E654-K658 PolarHBondContact OE2-NZ 2.88Å; M655-K658 PolarHBondContact O-N 2.85Å; K658-K662 VanDerWaalsContact O-CB 3.3Å; K658-K662 WeakPolarHBondContact O-CB 3.42Å; K658-K662 WeakPolarHBondContact O-CG 3.44Å; K658-K662 PolarHBondContact O-N 2.04Å |
| 659 | L | 70.1 | Confident | 69.1 | Low | 120 Ų | 120 | 101.7 Ų | 101.7 | 63% | 0.628 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.9 | -45.4 | 176.6 | -160.8 | 77.4 | 0 | 0 | 0 | 112.2 | M655 K656 L657 K662 M663 | M655-L659 WeakPolarHBondContact O-CB 3.1Å; M655-L659 PolarHBondContact O-N 2.79Å; K656-L659 PolarHBondContact O-N 3.27Å; L657-L659 VanDerWaalsContact C-N 3.27Å; L657-L659 PolarHBondContact O-N 2.85Å; L659-K662 PolarHBondContact O-N 3.11Å; L659-M663 WeakPolarHBondContact O-CG 3.26Å; L659-M663 PolarHBondContact O-N 3.11Å |
| 660 | T | 75.4 | Confident | 71.1 | Confident | 70 Ų | 70 | 103.3 Ų | 103.3 | 43% | 0.429 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 177.1 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | K656 L657 K662 M663 Y664 | K656-T660 PolarHBondContact O-N 2.79Å; K656-T660 PolarHBondContact O-OG1 2.68Å; L657-T660 WeakPolarHBondContact CA-OG1 3.22Å; L657-T660 PolarHBondContact O-N 3.37Å; L657-T660 PolarHBondContact O-OG1 3.12Å; L657-T660 VanDerWaalsContact O-OG1 3.13Å; T660-K662 VanDerWaalsContact C-N 3.34Å; T660-K662 PolarHBondContact O-N 2.93Å; T660-M663 PolarHBondContact O-N 2.73Å; T660-M663 VanDerWaalsContact O-N 3.15Å; T660-Y664 WeakPolarHBondContact O-CD2 3.31Å; T660-Y664 PolarHBondContact O-N 3.05Å |
| 661 | V | 78.5 | Confident | 72.9 | Confident | 69 Ų | 69 | 102.4 Ų | 102.4 | 42% | 0.418 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 173.8 | 169.8 | 0 | 0 | 0 | 0 | 111 | L657 M663 Y664 I665 | L657-V661 HydrophobicContact CG-CG2 4.32Å; L657-V661 WeakPolarHBondContact O-CB 3.41Å; L657-V661 WeakPolarHBondContact O-CG2 3.03Å; L657-V661 PolarHBondContact O-N 2.84Å; V661-M663 PolarHBondContact O-N 2.63Å; V661-Y664 PolarHBondContact O-N 3.32Å; V661-I665 HydrophobicContact CG1-CD1 3.65Å; V661-I665 HydrophobicContact CG1-CG1 4.3Å; V661-I665 WeakPolarHBondContact O-CB 3.46Å; V661-I665 VanDerWaalsContact O-CG1 3.25Å; V661-I665 WeakPolarHBondContact O-CG1 3.05Å; V661-I665 PolarHBondContact O-N 3.05Å |
| 662 | K | 83.1 | Confident | 74.4 | Confident | 145 Ų | 145 | 101.5 Ų | 101.5 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -42.1 | 172.5 | -81 | 175.2 | 179 | -175.6 | 0 | 112.6 | K658 L659 T660 I665 L666 | K658-K662 VanDerWaalsContact O-CB 3.3Å; K658-K662 WeakPolarHBondContact O-CB 3.42Å; K658-K662 WeakPolarHBondContact O-CG 3.44Å; K658-K662 PolarHBondContact O-N 2.04Å; L659-K662 PolarHBondContact O-N 3.11Å; T660-K662 VanDerWaalsContact C-N 3.34Å; T660-K662 PolarHBondContact O-N 2.93Å; K662-I665 PolarHBondContact O-N 2.86Å; K662-L666 VanDerWaalsContact O-CB 3.3Å; K662-L666 WeakPolarHBondContact O-CB 3.09Å; K662-L666 PolarHBondContact O-N 3.49Å |
| 663 | M | 79 | Confident | 75.9 | Confident | 116 Ų | 116 | 103.8 Ų | 103.8 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | 175.6 | -69.9 | -69.3 | -98.6 | 0 | 0 | 111.9 | L659 T660 V661 L666 I667 | L659-M663 WeakPolarHBondContact O-CG 3.26Å; L659-M663 PolarHBondContact O-N 3.11Å; T660-M663 PolarHBondContact O-N 2.73Å; T660-M663 VanDerWaalsContact O-N 3.15Å; V661-M663 PolarHBondContact O-N 2.63Å; M663-L666 PolarHBondContact O-N 3.17Å; M663-I667 WeakPolarHBondContact O-CB 3.35Å; M663-I667 VanDerWaalsContact O-CG1 3.28Å; M663-I667 WeakPolarHBondContact O-CG1 3.29Å; M663-I667 PolarHBondContact O-N 3.04Å |
| 664 | Y | 83.4 | Confident | 77.1 | Confident | 173 Ų | 173 | 103.6 Ų | 103.6 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 174.9 | -91.1 | -75.4 | 0 | 0 | 0 | 112.6 | T660 V661 L666 I667 F668 | T660-Y664 WeakPolarHBondContact O-CD2 3.31Å; T660-Y664 PolarHBondContact O-N 3.05Å; V661-Y664 PolarHBondContact O-N 3.32Å; Y664-L666 VanDerWaalsContact C-N 3.3Å; Y664-L666 PolarHBondContact O-N 2.94Å; Y664-I667 PolarHBondContact O-N 3.42Å; Y664-F668 WeakPolarHBondContact O-CB 3.03Å; Y664-F668 PolarHBondContact O-N 2.83Å |
| 665 | I | 83.8 | Confident | 78.2 | Confident | 100 Ų | 100 | 104 Ų | 104 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 175.2 | -69.9 | 166.5 | 0 | 0 | 0 | 110.9 | V661 K662 S669 | V661-I665 HydrophobicContact CG1-CD1 3.65Å; V661-I665 HydrophobicContact CG1-CG1 4.3Å; V661-I665 WeakPolarHBondContact O-CB 3.46Å; V661-I665 VanDerWaalsContact O-CG1 3.25Å; V661-I665 WeakPolarHBondContact O-CG1 3.05Å; V661-I665 PolarHBondContact O-N 3.05Å; K662-I665 PolarHBondContact O-N 2.86Å; I665-S669 VanDerWaalsContact O-CB 3.3Å; I665-S669 WeakPolarHBondContact O-CB 3.42Å; I665-S669 PolarHBondContact O-N 2.84Å; I665-S669 PolarHBondContact O-OG 3.43Å |
| 666 | L | 83.4 | Confident | 79.4 | Confident | 99 Ų | 99 | 103.4 Ų | 103.4 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.1 | -45.5 | 178.3 | -167.9 | 152.8 | 0 | 0 | 0 | 111.3 | K662 M663 Y664 S669 I670 | K662-L666 VanDerWaalsContact O-CB 3.3Å; K662-L666 WeakPolarHBondContact O-CB 3.09Å; K662-L666 PolarHBondContact O-N 3.49Å; M663-L666 PolarHBondContact O-N 3.17Å; Y664-L666 VanDerWaalsContact C-N 3.3Å; Y664-L666 PolarHBondContact O-N 2.94Å; L666-S669 PolarHBondContact O-N 3.38Å; L666-I670 HydrophobicContact CD2-CD1 3.61Å; L666-I670 HydrophobicContact CD2-CG1 4.4Å; L666-I670 WeakPolarHBondContact O-CG1 3.22Å; L666-I670 PolarHBondContact O-N 3.33Å |
| 667 | I | 85.5 | Confident | 80.6 | Confident | 87 Ų | 87 | 97.3 Ų | 97.3 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 173.9 | -69 | 164.5 | 0 | 0 | 0 | 110.7 | M663 Y664 S669 I670 I671 | M663-I667 WeakPolarHBondContact O-CB 3.35Å; M663-I667 VanDerWaalsContact O-CG1 3.28Å; M663-I667 WeakPolarHBondContact O-CG1 3.29Å; M663-I667 PolarHBondContact O-N 3.04Å; Y664-I667 PolarHBondContact O-N 3.42Å; I667-S669 VanDerWaalsContact C-N 3.35Å; I667-S669 PolarHBondContact O-N 2.04Å; I667-I670 PolarHBondContact O-N 2.86Å; I667-I671 HydrophobicContact CG2-CD1 3.81Å; I667-I671 HydrophobicContact CG2-CG1 4.49Å; I667-I671 WeakPolarHBondContact O-CG1 3.45Å; I667-I671 PolarHBondContact O-N 2.93Å |
| 668 | F | 85.8 | Confident | 81.3 | Confident | 128 Ų | 128 | 97.3 Ų | 97.3 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -39.1 | 177.9 | -173.2 | -109.4 | 0 | 0 | 0 | 112 | Y664 I671 L672 | Y664-F668 WeakPolarHBondContact O-CB 3.03Å; Y664-F668 PolarHBondContact O-N 2.83Å; F668-I671 PolarHBondContact O-N 2.86Å; F668-L672 HydrophobicContact CD1-CD1 3.77Å; F668-L672 HydrophobicContact CD1-CG 4.32Å; F668-L672 HydrophobicContact CE1-CD1 3.46Å; F668-L672 VanDerWaalsContact CE1-CD1 3.46Å; F668-L672 HydrophobicContact CE1-CG 4.08Å; F668-L672 HydrophobicContact CZ-CD1 4.04Å; F668-L672 HydrophobicContact CZ-CD2 4.34Å; F668-L672 HydrophobicContact CZ-CG 4.24Å; F668-L672 WeakPolarHBondContact O-CB 3.46Å; F668-L672 WeakPolarHBondContact O-CG 3.04Å; F668-L672 PolarHBondContact O-N 3.34Å |
| 669 | S | 82.2 | Confident | 81.9 | Confident | 51 Ų | 51 | 95.1 Ų | 95.1 | 36% | 0.357 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 172.9 | -64 | 0 | 0 | 0 | 0 | 112.1 | I665 L666 I667 L672 I673 | I665-S669 VanDerWaalsContact O-CB 3.3Å; I665-S669 WeakPolarHBondContact O-CB 3.42Å; I665-S669 PolarHBondContact O-N 2.84Å; I665-S669 PolarHBondContact O-OG 3.43Å; L666-S669 PolarHBondContact O-N 3.38Å; I667-S669 VanDerWaalsContact C-N 3.35Å; I667-S669 PolarHBondContact O-N 2.04Å; S669-L672 PolarHBondContact O-N 2.9Å; S669-I673 WeakPolarHBondContact O-CB 3.22Å; S669-I673 WeakPolarHBondContact O-CD1 3.42Å; S669-I673 WeakPolarHBondContact O-CG1 3.35Å; S669-I673 PolarHBondContact O-N 2.87Å |
| 670 | I | 85.3 | Confident | 82.6 | Confident | 92 Ų | 92 | 93.6 Ų | 93.6 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 173.8 | -70.1 | 171.6 | 0 | 0 | 0 | 110.4 | L666 I667 L672 I673 C674 | L666-I670 HydrophobicContact CD2-CD1 3.61Å; L666-I670 HydrophobicContact CD2-CG1 4.4Å; L666-I670 WeakPolarHBondContact O-CG1 3.22Å; L666-I670 PolarHBondContact O-N 3.33Å; I667-I670 PolarHBondContact O-N 2.86Å; I670-L672 PolarHBondContact O-N 3.18Å; I670-I673 PolarHBondContact O-N 2.7Å; I670-I673 VanDerWaalsContact O-N 3.16Å; I670-C674 PolarHBondContact O-N 3.4Å; I670-C674 PolarHBondContact O-SG 3.49Å; I670-C674 VanDerWaalsContact O-SG 3.37Å |
| 671 | I | 85.3 | Confident | 82.8 | Confident | 83 Ų | 83 | 94 Ų | 94 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 177.4 | -69.3 | 167.4 | 0 | 0 | 0 | 110.9 | I667 F668 I673 C674 I675 | I667-I671 HydrophobicContact CG2-CD1 3.81Å; I667-I671 HydrophobicContact CG2-CG1 4.49Å; I667-I671 WeakPolarHBondContact O-CG1 3.45Å; I667-I671 PolarHBondContact O-N 2.93Å; F668-I671 PolarHBondContact O-N 2.86Å; I671-I673 PolarHBondContact O-N 3.41Å; I671-C674 PolarHBondContact O-N 2.74Å; I671-I675 HydrophobicContact CG2-CD1 3.61Å; I671-I675 HydrophobicContact CG2-CG1 4.33Å; I671-I675 WeakPolarHBondContact O-CB 3.3Å; I671-I675 VanDerWaalsContact O-CG1 3.32Å; I671-I675 WeakPolarHBondContact O-CG1 3.29Å; I671-I675 PolarHBondContact O-N 3.16Å |
| 672 | L | 81.2 | Confident | 83 | Confident | 63 Ų | 63 | 95.5 Ų | 95.5 | 33% | 0.33 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 174.6 | -73.1 | 176.4 | 0 | 0 | 0 | 112.5 | F668 S669 I670 C674 I675 F676 | F668-L672 HydrophobicContact CD1-CD1 3.77Å; F668-L672 HydrophobicContact CD1-CG 4.32Å; F668-L672 HydrophobicContact CE1-CD1 3.46Å; F668-L672 VanDerWaalsContact CE1-CD1 3.46Å; F668-L672 HydrophobicContact CE1-CG 4.08Å; F668-L672 HydrophobicContact CZ-CD1 4.04Å; F668-L672 HydrophobicContact CZ-CD2 4.34Å; F668-L672 HydrophobicContact CZ-CG 4.24Å; F668-L672 WeakPolarHBondContact O-CB 3.46Å; F668-L672 WeakPolarHBondContact O-CG 3.04Å; F668-L672 PolarHBondContact O-N 3.34Å; S669-L672 PolarHBondContact O-N 2.9Å; I670-L672 PolarHBondContact O-N 3.18Å; L672-C674 VanDerWaalsContact C-N 3.34Å; L672-I675 PolarHBondContact O-N 3.12Å; L672-F676 HydrophobicContact CD2-CD2 3.9Å; L672-F676 HydrophobicContact CD2-CE2 3.63Å; L672-F676 WeakPolarHBondContact O-CB 3.48Å; L672-F676 PolarHBondContact O-N 2.86Å |
| 673 | I | 82.5 | Confident | 82.9 | Confident | 118 Ų | 118 | 94.3 Ų | 94.3 | 61% | 0.605 | 49% | 0.492 | S | S | * | . | I | π-helix | trans | -66.1 | -36.4 | 174.5 | -71.2 | 163.1 | 0 | 0 | 0 | 110.9 | S669 I670 I671 G677 L678 | S669-I673 WeakPolarHBondContact O-CB 3.22Å; S669-I673 WeakPolarHBondContact O-CD1 3.42Å; S669-I673 WeakPolarHBondContact O-CG1 3.35Å; S669-I673 PolarHBondContact O-N 2.87Å; I670-I673 PolarHBondContact O-N 2.7Å; I670-I673 VanDerWaalsContact O-N 3.16Å; I671-I673 PolarHBondContact O-N 3.41Å; I673-G677 WeakPolarHBondContact O-CA 3.01Å; I673-G677 PolarHBondContact O-N 3.04Å; I673-L678 PolarHBondContact O-N 3.26Å |
| 674 | C | 78.1 | Confident | 83.2 | Confident | 74 Ų | 74 | 93.1 Ų | 93.1 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | I | π-helix | trans | -69.2 | -44.6 | 173.1 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | I670 I671 L672 L678 | I670-C674 PolarHBondContact O-N 3.4Å; I670-C674 PolarHBondContact O-SG 3.49Å; I670-C674 VanDerWaalsContact O-SG 3.37Å; I671-C674 PolarHBondContact O-N 2.74Å; L672-C674 VanDerWaalsContact C-N 3.34Å; C674-L678 WeakPolarHBondContact O-CB 3.32Å |
| 675 | I | 83.4 | Confident | 83.2 | Confident | 98 Ų | 98 | 86.5 Ų | 86.5 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | I | π-helix | trans | -70.3 | -44.1 | -177.6 | -68.8 | 171.8 | 0 | 0 | 0 | 112 | I671 L672 P679 | I671-I675 HydrophobicContact CG2-CD1 3.61Å; I671-I675 HydrophobicContact CG2-CG1 4.33Å; I671-I675 WeakPolarHBondContact O-CB 3.3Å; I671-I675 VanDerWaalsContact O-CG1 3.32Å; I671-I675 WeakPolarHBondContact O-CG1 3.29Å; I671-I675 PolarHBondContact O-N 3.16Å; L672-I675 PolarHBondContact O-N 3.12Å; I675-P679 WeakPolarHBondContact O-CD 3.47Å; I675-P679 WeakPolarHBondContact O-CG 3.17Å |
| 676 | F | 83.3 | Confident | 82.9 | Confident | 121 Ų | 121 | 85.4 Ų | 85.4 | 53% | 0.531 | 47% | 0.472 | S | S | . | . | I | π-helix | trans | -101.5 | -40.6 | -176 | -66.8 | -76.6 | 0 | 0 | 0 | 113 | L672 L678 P679 I680 | L672-F676 HydrophobicContact CD2-CD2 3.9Å; L672-F676 HydrophobicContact CD2-CE2 3.63Å; L672-F676 WeakPolarHBondContact O-CB 3.48Å; L672-F676 PolarHBondContact O-N 2.86Å; F676-L678 PolarHBondContact O-N 3.25Å; F676-P679 WeakPolarHBondContact O-CD 3.43Å; F676-P679 WeakPolarHBondContact O-CG 3.09Å; F676-I680 HydrophobicContact CB-CD1 4.23Å; F676-I680 VanDerWaalsContact O-CB 3.25Å; F676-I680 WeakPolarHBondContact O-CB 3.35Å; F676-I680 WeakPolarHBondContact O-CD1 3.42Å; F676-I680 WeakPolarHBondContact O-CG1 3.46Å; F676-I680 PolarHBondContact O-N 3.13Å |
| 677 | G | 84 | Confident | 82.9 | Confident | 22 Ų | 22 | 86.1 Ų | 86.1 | 23% | 0.227 | 47% | 0.469 | C | S | . | . | I | π-helix | trans | -66.5 | -35.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I673 S681 | I673-G677 WeakPolarHBondContact O-CA 3.01Å; I673-G677 PolarHBondContact O-N 3.04Å; G677-S681 VanDerWaalsContact O-CB 3.28Å; G677-S681 WeakPolarHBondContact O-CB 3.12Å; G677-S681 PolarHBondContact O-N 2.7Å; G677-S681 PolarHBondContact O-OG 2.73Å |
| 678 | L | 81.8 | Confident | 82.5 | Confident | 109 Ų | 109 | 86.7 Ų | 86.7 | 57% | 0.571 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.2 | -53 | 178.7 | -138.2 | 164.4 | 0 | 0 | 0 | 112.3 | I673 C674 F676 I680 S681 I682 | I673-L678 PolarHBondContact O-N 3.26Å; C674-L678 WeakPolarHBondContact O-CB 3.32Å; F676-L678 PolarHBondContact O-N 3.25Å; L678-I680 PolarHBondContact O-N 2.03Å; L678-S681 WeakPolarHBondContact O-CB 3.38Å; L678-S681 PolarHBondContact O-N 2.76Å; L678-I682 HydrophobicContact CD2-CD1 3.88Å; L678-I682 HydrophobicContact CD2-CG1 4.43Å; L678-I682 WeakPolarHBondContact O-CG1 3.38Å; L678-I682 PolarHBondContact O-N 3.36Å |
| 679 | P | 84.8 | Confident | 81.9 | Confident | 59 Ų | 59 | 87 Ų | 87 | 38% | 0.383 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -33.7 | 173.8 | 23.5 | -32 | 0 | 0 | 0 | 113.4 | I675 F676 S681 I682 L683 | I675-P679 WeakPolarHBondContact O-CD 3.47Å; I675-P679 WeakPolarHBondContact O-CG 3.17Å; F676-P679 WeakPolarHBondContact O-CD 3.43Å; F676-P679 WeakPolarHBondContact O-CG 3.09Å; P679-S681 VanDerWaalsContact C-N 3.32Å; P679-S681 PolarHBondContact O-N 2.89Å; P679-I682 PolarHBondContact O-N 3.02Å; P679-L683 WeakPolarHBondContact O-CB 3.34Å; P679-L683 WeakPolarHBondContact O-CG 3.14Å; P679-L683 PolarHBondContact O-N 3.19Å |
| 680 | I | 84.6 | Confident | 81.5 | Confident | 88 Ų | 88 | 89.7 Ų | 89.7 | 45% | 0.451 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 172.4 | -71.2 | 167.6 | 0 | 0 | 0 | 110.9 | F676 L678 L683 I684 | F676-I680 HydrophobicContact CB-CD1 4.23Å; F676-I680 VanDerWaalsContact O-CB 3.25Å; F676-I680 WeakPolarHBondContact O-CB 3.35Å; F676-I680 WeakPolarHBondContact O-CD1 3.42Å; F676-I680 WeakPolarHBondContact O-CG1 3.46Å; F676-I680 PolarHBondContact O-N 3.13Å; L678-I680 PolarHBondContact O-N 2.03Å; I680-L683 PolarHBondContact O-N 2.82Å; I680-I684 HydrophobicContact CG2-CD1 3.69Å; I680-I684 HydrophobicContact CG2-CG1 4.34Å; I680-I684 WeakPolarHBondContact O-CB 3.32Å; I680-I684 VanDerWaalsContact O-CG1 3.28Å; I680-I684 WeakPolarHBondContact O-CG1 3.48Å; I680-I684 PolarHBondContact O-N 2.83Å |
| 681 | S | 80 | Confident | 80.6 | Confident | 79 Ų | 79 | 88.8 Ų | 88.8 | 55% | 0.552 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 176.8 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | G677 L678 P679 I684 G685 | G677-S681 VanDerWaalsContact O-CB 3.28Å; G677-S681 WeakPolarHBondContact O-CB 3.12Å; G677-S681 PolarHBondContact O-N 2.7Å; G677-S681 PolarHBondContact O-OG 2.73Å; L678-S681 WeakPolarHBondContact O-CB 3.38Å; L678-S681 PolarHBondContact O-N 2.76Å; P679-S681 VanDerWaalsContact C-N 3.32Å; P679-S681 PolarHBondContact O-N 2.89Å; S681-I684 PolarHBondContact O-N 3.25Å; S681-G685 PolarHBondContact O-N 2.95Å |
| 682 | I | 82.8 | Confident | 79.5 | Confident | 101 Ų | 101 | 94 Ų | 94 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 173.6 | -66.4 | 166.2 | 0 | 0 | 0 | 110.3 | L678 P679 I684 G685 C686 | L678-I682 HydrophobicContact CD2-CD1 3.88Å; L678-I682 HydrophobicContact CD2-CG1 4.43Å; L678-I682 WeakPolarHBondContact O-CG1 3.38Å; L678-I682 PolarHBondContact O-N 3.36Å; P679-I682 PolarHBondContact O-N 3.02Å; I682-I684 PolarHBondContact O-N 2.03Å; I682-G685 WeakPolarHBondContact O-CA 3.42Å; I682-G685 PolarHBondContact O-N 2.04Å; I682-G685 VanDerWaalsContact O-N 3.13Å; I682-C686 PolarHBondContact O-N 3.21Å; I682-C686 PolarHBondContact O-SG 3.42Å; I682-C686 VanDerWaalsContact O-SG 3.33Å |
| 683 | L | 80.7 | Confident | 78.4 | Confident | 119 Ų | 119 | 98.7 Ų | 98.7 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -40.3 | 177.9 | -73.6 | 169.3 | 0 | 0 | 0 | 112.9 | P679 I680 C686 Y687 | P679-L683 WeakPolarHBondContact O-CB 3.34Å; P679-L683 WeakPolarHBondContact O-CG 3.14Å; P679-L683 PolarHBondContact O-N 3.19Å; I680-L683 PolarHBondContact O-N 2.82Å; L683-C686 PolarHBondContact O-N 2.93Å; L683-Y687 WeakPolarHBondContact O-CB 2.97Å; L683-Y687 PolarHBondContact O-N 2.9Å |
| 684 | I | 85.4 | Confident | 77.4 | Confident | 92 Ų | 92 | 96.4 Ų | 96.4 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 174.1 | -69.1 | 168.2 | 0 | 0 | 0 | 110.6 | I680 S681 I682 Y687 L688 | I680-I684 HydrophobicContact CG2-CD1 3.69Å; I680-I684 HydrophobicContact CG2-CG1 4.34Å; I680-I684 WeakPolarHBondContact O-CB 3.32Å; I680-I684 VanDerWaalsContact O-CG1 3.28Å; I680-I684 WeakPolarHBondContact O-CG1 3.48Å; I680-I684 PolarHBondContact O-N 2.83Å; S681-I684 PolarHBondContact O-N 3.25Å; I682-I684 PolarHBondContact O-N 2.03Å; I684-Y687 PolarHBondContact O-N 2.91Å; I684-L688 HydrophobicContact CG2-CD1 3.99Å; I684-L688 HydrophobicContact CG2-CG 4.38Å; I684-L688 WeakPolarHBondContact O-CB 3.43Å; I684-L688 WeakPolarHBondContact O-CG 3.42Å; I684-L688 PolarHBondContact O-N 2.84Å |
| 685 | G | 83.1 | Confident | 76.3 | Confident | 34 Ų | 34 | 100 Ų | 100 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S681 I682 Y687 L688 M689 | S681-G685 PolarHBondContact O-N 2.95Å; I682-G685 WeakPolarHBondContact O-CA 3.42Å; I682-G685 PolarHBondContact O-N 2.04Å; I682-G685 VanDerWaalsContact O-N 3.13Å; G685-Y687 VanDerWaalsContact C-N 3.35Å; G685-Y687 PolarHBondContact O-N 2.82Å; G685-L688 PolarHBondContact O-N 2.92Å; G685-M689 WeakPolarHBondContact O-CG 3.43Å; G685-M689 PolarHBondContact O-N 2.97Å |
| 686 | C | 78.5 | Confident | 74.9 | Confident | 76 Ų | 76 | 101.6 Ų | 101.6 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | I682 L683 M689 K690 | I682-C686 PolarHBondContact O-N 3.21Å; I682-C686 PolarHBondContact O-SG 3.42Å; I682-C686 VanDerWaalsContact O-SG 3.33Å; L683-C686 PolarHBondContact O-N 2.93Å; C686-M689 PolarHBondContact O-N 3.2Å; C686-K690 WeakPolarHBondContact O-CB 3.29Å; C686-K690 PolarHBondContact O-N 3.47Å |
| 687 | Y | 83.3 | Confident | 73.4 | Confident | 115 Ų | 115 | 100.6 Ų | 100.6 | 45% | 0.451 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 176.7 | -177.4 | -95.5 | 0 | 0 | 0 | 112 | L683 I684 G685 K690 N691 | L683-Y687 WeakPolarHBondContact O-CB 2.97Å; L683-Y687 PolarHBondContact O-N 2.9Å; I684-Y687 PolarHBondContact O-N 2.91Å; G685-Y687 VanDerWaalsContact C-N 3.35Å; G685-Y687 PolarHBondContact O-N 2.82Å; Y687-K690 PolarHBondContact O-N 2.85Å; Y687-N691 WeakPolarHBondContact O-CB 3.14Å; Y687-N691 PolarHBondContact O-N 2.85Å |
| 688 | L | 77 | Confident | 72 | Confident | 98 Ų | 98 | 104.9 Ų | 104.9 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 177.1 | -71.6 | 172.7 | 0 | 0 | 0 | 112.4 | I684 G685 R692 | I684-L688 HydrophobicContact CG2-CD1 3.99Å; I684-L688 HydrophobicContact CG2-CG 4.38Å; I684-L688 WeakPolarHBondContact O-CB 3.43Å; I684-L688 WeakPolarHBondContact O-CG 3.42Å; I684-L688 PolarHBondContact O-N 2.84Å; G685-L688 PolarHBondContact O-N 2.92Å; L688-R692 WeakPolarHBondContact O-CG 3.27Å; L688-R692 PolarHBondContact O-N 2.74Å; L688-R692 VanDerWaalsContact O-N 3.14Å |
| 689 | M | 71.9 | Confident | 70.5 | Confident | 136 Ų | 136 | 109.7 Ų | 109.7 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.9 | -49.4 | 171.3 | -76.7 | -66.3 | -159.2 | 0 | 0 | 111.1 | G685 C686 N691 R692 Y693 | G685-M689 WeakPolarHBondContact O-CG 3.43Å; G685-M689 PolarHBondContact O-N 2.97Å; C686-M689 PolarHBondContact O-N 3.2Å; M689-N691 PolarHBondContact O-N 3.25Å; M689-R692 PolarHBondContact O-N 2.8Å; M689-Y693 PolarHBondContact O-N 2.79Å; M689-Y693 VanDerWaalsContact O-N 3.08Å |
| 690 | K | 73.7 | Confident | 68.9 | Low | 106 Ų | 106 | 112.1 Ų | 112.1 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 178.4 | -174.9 | 168.5 | -179 | 170.7 | 0 | 112.3 | C686 Y687 R692 Y693 D694 | C686-K690 WeakPolarHBondContact O-CB 3.29Å; C686-K690 PolarHBondContact O-N 3.47Å; Y687-K690 PolarHBondContact O-N 2.85Å; K690-R692 VanDerWaalsContact C-N 3.31Å; K690-R692 PolarHBondContact O-N 3.02Å; K690-Y693 WeakPolarHBondContact O-CA 3.36Å; K690-Y693 VanDerWaalsContact O-CB 3.24Å; K690-Y693 WeakPolarHBondContact O-CB 3.35Å; K690-Y693 PolarHBondContact O-N 3.17Å; K690-D694 PolarHBondContact O-N 3.44Å |
| 691 | N | 68 | Low | 67.5 | Low | 74 Ų | 74 | 113.9 Ų | 113.9 | 40% | 0.396 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 179 | -124.5 | 6.7 | 0 | 0 | 0 | 112.5 | Y687 M689 H695 | Y687-N691 WeakPolarHBondContact O-CB 3.14Å; Y687-N691 PolarHBondContact O-N 2.85Å; M689-N691 PolarHBondContact O-N 3.25Å; N691-H695 WeakPolarHBondContact O-CB 3.45Å; N691-H695 PolarHBondContact O-N 3.28Å |
| 692 | R | 60.8 | Low | 66.1 | Low | 192 Ų | 192 | 118.6 Ų | 118.6 | 73% | 0.725 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.9 | -36.9 | 171.8 | -73.2 | -178.4 | -179.1 | -169.9 | 1.9 | 112.1 | L688 M689 K690 H696 | L688-R692 WeakPolarHBondContact O-CG 3.27Å; L688-R692 PolarHBondContact O-N 2.74Å; L688-R692 VanDerWaalsContact O-N 3.14Å; M689-R692 PolarHBondContact O-N 2.8Å; K690-R692 VanDerWaalsContact C-N 3.31Å; K690-R692 PolarHBondContact O-N 3.02Å; R692-H696 PolarHBondContact O-N 2.95Å |
| 693 | Y | 57.9 | Low | 64.5 | Low | 162 Ų | 162 | 120.6 Ų | 120.6 | 64% | 0.635 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -51.1 | 177.4 | -142.9 | -88.2 | 0 | 0 | 0 | 111.6 | M689 K690 H695 H696 H697 | M689-Y693 PolarHBondContact O-N 2.79Å; M689-Y693 VanDerWaalsContact O-N 3.08Å; K690-Y693 WeakPolarHBondContact O-CA 3.36Å; K690-Y693 VanDerWaalsContact O-CB 3.24Å; K690-Y693 WeakPolarHBondContact O-CB 3.35Å; K690-Y693 PolarHBondContact O-N 3.17Å; Y693-H695 VanDerWaalsContact C-N 3.34Å; Y693-H695 PolarHBondContact O-N 3.08Å; Y693-H696 PolarHBondContact O-N 3.05Å; Y693-H697 AromaticContact CD1-CD2 3.75Å; Y693-H697 AromaticContact CD1-NE2 3.78Å; Y693-H697 AromaticContact CE1-CD2 3.91Å; Y693-H697 AromaticContact CE1-NE2 3.42Å; Y693-H697 WeakPolarHBondContact CE1-NE2 3.35Å; Y693-H697 PolarHBondContact O-CD2 2.86Å; Y693-H697 PolarHBondContact O-N 3.19Å |
| 694 | D | 61.2 | Low | 63 | Low | 69 Ų | 69 | 124.4 Ų | 124.4 | 37% | 0.369 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -36.8 | -179.9 | -72 | -33.4 | 0 | 0 | 0 | 112.4 | K690 H696 H697 H698 | K690-D694 PolarHBondContact O-N 3.44Å; D694-H696 VanDerWaalsContact C-N 3.31Å; D694-H696 PolarHBondContact O-N 3.3Å; D694-H697 PolarHBondContact O-N 3.32Å; D694-H698 PolarHBondContact O-N 2.99Å; D694-H698 VanDerWaalsContact O-N 3.14Å |
| 695 | H | 55.7 | Low | 61.3 | Low | 151 Ų | 151 | 127.2 Ų | 127.2 | 70% | 0.699 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.3 | -34 | 176.5 | -125.7 | 72.5 | 0 | 0 | 0 | 113 | N691 Y693 R699 | N691-H695 WeakPolarHBondContact O-CB 3.45Å; N691-H695 PolarHBondContact O-N 3.28Å; Y693-H695 VanDerWaalsContact C-N 3.34Å; Y693-H695 PolarHBondContact O-N 3.08Å; H695-R699 PolarHBondContact O-N 2.84Å |
| 696 | H | 54.4 | Low | 59.4 | Low | 130 Ų | 130 | 129 Ų | 129 | 60% | 0.602 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.7 | -46.4 | 175 | -113.8 | -83.1 | 0 | 0 | 0 | 111.2 | R692 Y693 D694 H698 R699 H700 | R692-H696 PolarHBondContact O-N 2.95Å; Y693-H696 PolarHBondContact O-N 3.05Å; D694-H696 VanDerWaalsContact C-N 3.31Å; D694-H696 PolarHBondContact O-N 3.3Å; H696-H698 PolarHBondContact O-N 3.47Å; H696-R699 PolarHBondContact O-N 3.39Å; H696-H700 AromaticContact ND1-NE2 3.98Å; H696-H700 PolarHBondContact O-CD2 3.16Å; H696-H700 VanDerWaalsContact O-CD2 3.23Å; H696-H700 PolarHBondContact O-N 3.45Å |
| 697 | H | 52.4 | Low | 58.3 | Low | 101 Ų | 101 | 129.1 Ų | 129.1 | 47% | 0.468 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.8 | -43.1 | -179.7 | -82.7 | -74.1 | 0 | 0 | 0 | 113.4 | Y693 D694 R699 H700 Q701 | Y693-H697 AromaticContact CD1-CD2 3.75Å; Y693-H697 AromaticContact CD1-NE2 3.78Å; Y693-H697 AromaticContact CE1-CD2 3.91Å; Y693-H697 AromaticContact CE1-NE2 3.42Å; Y693-H697 WeakPolarHBondContact CE1-NE2 3.35Å; Y693-H697 PolarHBondContact O-CD2 2.86Å; Y693-H697 PolarHBondContact O-N 3.19Å; D694-H697 PolarHBondContact O-N 3.32Å; H697-R699 VanDerWaalsContact C-N 3.31Å; H697-R699 PolarHBondContact O-N 3.49Å; H697-H700 PolarHBondContact O-N 3.02Å; H697-Q701 PolarHBondContact O-N 3.14Å; H697-Q701 VanDerWaalsContact O-N 3.16Å |
| 698 | H | 53.7 | Low | 56.6 | Low | 112 Ų | 112 | 132.2 Ų | 132.2 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.5 | -36.7 | 177.7 | -86.2 | -60 | 0 | 0 | 0 | 112.9 | D694 H696 H700 Q701 Y702 | D694-H698 PolarHBondContact O-N 2.99Å; D694-H698 VanDerWaalsContact O-N 3.14Å; H696-H698 PolarHBondContact O-N 3.47Å; H698-H700 VanDerWaalsContact C-N 3.31Å; H698-H700 PolarHBondContact O-N 3.13Å; H698-Q701 PolarHBondContact O-N 2.98Å; H698-Y702 PolarHBondContact O-N 3.05Å |
| 699 | R | 49.6 | Very low | 55.1 | Low | 209 Ų | 209 | 134.4 Ų | 134.4 | 79% | 0.789 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.2 | -33.1 | 178 | -149.6 | 175.2 | -167.8 | -177.5 | 3.8 | 112.4 | H695 H696 H697 | H695-R699 PolarHBondContact O-N 2.84Å; H696-R699 PolarHBondContact O-N 3.39Å; H697-R699 VanDerWaalsContact C-N 3.31Å; H697-R699 PolarHBondContact O-N 3.49Å |
| 700 | H | 52 | Low | 53.8 | Low | 111 Ų | 111 | 134.3 Ų | 134.3 | 51% | 0.514 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.5 | -36.4 | 173.5 | -77.4 | -74.2 | 0 | 0 | 0 | 113.3 | H696 H697 H698 K703 R704 | H696-H700 AromaticContact ND1-NE2 3.98Å; H696-H700 PolarHBondContact O-CD2 3.16Å; H696-H700 VanDerWaalsContact O-CD2 3.23Å; H696-H700 PolarHBondContact O-N 3.45Å; H697-H700 PolarHBondContact O-N 3.02Å; H698-H700 VanDerWaalsContact C-N 3.31Å; H698-H700 PolarHBondContact O-N 3.13Å; H700-K703 PolarHBondContact O-N 3.06Å; H700-R704 PolarHBondContact O-N 3.15Å |
| 701 | Q | 54.6 | Low | 52.4 | Low | 125 Ų | 125 | 138.3 Ų | 138.3 | 58% | 0.584 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.9 | -40.6 | 178.8 | -70.8 | -172.9 | 3.5 | 0 | 0 | 113 | H697 H698 K703 R704 K705 | H697-Q701 PolarHBondContact O-N 3.14Å; H697-Q701 VanDerWaalsContact O-N 3.16Å; H698-Q701 PolarHBondContact O-N 2.98Å; Q701-K703 VanDerWaalsContact C-N 3.31Å; Q701-K703 PolarHBondContact O-N 2.82Å; Q701-R704 PolarHBondContact O-N 3.18Å; Q701-K705 PolarHBondContact O-N 3.08Å |
| 702 | Y | 51.7 | Low | 51 | Low | 178 Ų | 178 | 140.8 Ų | 140.8 | 70% | 0.698 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.3 | -37.9 | 175.3 | -89.6 | -79.1 | 0 | 0 | 0 | 112.5 | H698 K705 S706 | H698-Y702 PolarHBondContact O-N 3.05Å; Y702-K705 PolarHBondContact O-N 3.11Å; Y702-S706 PolarHBondContact O-N 3.45Å; Y702-S706 VanDerWaalsContact O-N 3.14Å |
| 703 | K | 49.1 | Very low | 49.7 | Very low | 143 Ų | 143 | 137 Ų | 137 | 62% | 0.622 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.7 | -43 | 178.2 | -153.8 | 171.8 | -175.2 | -177.1 | 0 | 111.9 | H700 Q701 K705 S706 D707 | H700-K703 PolarHBondContact O-N 3.06Å; Q701-K703 VanDerWaalsContact C-N 3.31Å; Q701-K703 PolarHBondContact O-N 2.82Å; K703-K705 VanDerWaalsContact C-N 3.32Å; K703-K705 PolarHBondContact O-N 3.41Å; K703-S706 WeakPolarHBondContact O-CB 3.32Å; K703-S706 PolarHBondContact O-N 3.33Å; K703-D707 PolarHBondContact O-N 2.83Å; K703-D707 VanDerWaalsContact O-N 3.12Å |
| 704 | R | 49.6 | Very low | 48.5 | Very low | 198 Ų | 198 | 133.9 Ų | 133.9 | 75% | 0.747 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.2 | -37 | 174.3 | -67.8 | -173.7 | -172.5 | -176.1 | 2.8 | 113.3 | H700 Q701 Y708 | H700-R704 PolarHBondContact O-N 3.15Å; Q701-R704 PolarHBondContact O-N 3.18Å; R704-Y708 PolarHBondContact O-N 3.4Å; R704-Y708 VanDerWaalsContact O-N 3.11Å |
| 705 | K | 48.7 | Very low | 47 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 66% | 0.661 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70 | -36.5 | 176.2 | -87.7 | -171.1 | 172.9 | -176.2 | 0 | 113.2 | Q701 Y702 K703 H709 | Q701-K705 PolarHBondContact O-N 3.08Å; Y702-K705 PolarHBondContact O-N 3.11Å; K703-K705 VanDerWaalsContact C-N 3.32Å; K703-K705 PolarHBondContact O-N 3.41Å; K705-H709 PolarHBondContact O-CD2 3.18Å; K705-H709 PolarHBondContact O-N 2.99Å |
| 706 | S | 44.7 | Very low | 45.8 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -57.5 | -52.9 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | Y702 K703 Y708 H709 Q710 | Y702-S706 PolarHBondContact O-N 3.45Å; Y702-S706 VanDerWaalsContact O-N 3.14Å; K703-S706 WeakPolarHBondContact O-CB 3.32Å; K703-S706 PolarHBondContact O-N 3.33Å; S706-Y708 VanDerWaalsContact C-N 3.33Å; S706-Y708 PolarHBondContact O-N 3.42Å; S706-H709 PolarHBondContact O-N 3.33Å; S706-Q710 PolarHBondContact O-N 2.82Å |
| 707 | D | 53.6 | Low | 44.8 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 41% | 0.412 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -63.7 | -40 | -176.3 | -57.9 | -23 | 0 | 0 | 0 | 111.1 | K703 H709 Q710 Y711 | K703-D707 PolarHBondContact O-N 2.83Å; K703-D707 VanDerWaalsContact O-N 3.12Å; D707-H709 VanDerWaalsContact C-N 3.35Å; D707-H709 PolarHBondContact O-N 3.31Å; D707-Q710 PolarHBondContact O-N 2.91Å; D707-Q710 VanDerWaalsContact O-N 3.12Å; D707-Y711 WeakPolarHBondContact O-CD2 3.28Å; D707-Y711 PolarHBondContact O-N 3.25Å |
| 708 | Y | 48.3 | Very low | 43.7 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -62.5 | -36.2 | 179.9 | -142.2 | -88.3 | 0 | 0 | 0 | 113.7 | R704 S706 Q710 | R704-Y708 PolarHBondContact O-N 3.4Å; R704-Y708 VanDerWaalsContact O-N 3.11Å; S706-Y708 VanDerWaalsContact C-N 3.33Å; S706-Y708 PolarHBondContact O-N 3.42Å; Y708-Q710 VanDerWaalsContact C-N 3.34Å |
| 709 | H | 45.3 | Very low | 42.6 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 67% | 0.667 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -72.5 | -27 | 176 | -84.1 | -65.6 | 0 | 0 | 0 | 113.2 | K705 S706 D707 | K705-H709 PolarHBondContact O-CD2 3.18Å; K705-H709 PolarHBondContact O-N 2.99Å; S706-H709 PolarHBondContact O-N 3.33Å; D707-H709 VanDerWaalsContact C-N 3.35Å; D707-H709 PolarHBondContact O-N 3.31Å |
| 710 | Q | 45.1 | Very low | 41.5 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 63% | 0.631 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.1 | -23.9 | -179.8 | -162.2 | 158.5 | -6.1 | 0 | 0 | 112.8 | S706 D707 Y708 T713 | S706-Q710 PolarHBondContact O-N 2.82Å; D707-Q710 PolarHBondContact O-N 2.91Å; D707-Q710 VanDerWaalsContact O-N 3.12Å; Y708-Q710 VanDerWaalsContact C-N 3.34Å; Q710-T713 PolarHBondContact O-OG1 2.93Å |
| 711 | Y | 44.3 | Very low | 40.3 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -16.9 | 176.6 | -85.7 | -76.1 | 0 | 0 | 0 | 115.3 | D707 | D707-Y711 WeakPolarHBondContact O-CD2 3.28Å; D707-Y711 PolarHBondContact O-N 3.25Å |
| 712 | I | 37.5 | Very low | 39.1 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 65% | 0.651 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -81.7 | -20.5 | -177.7 | -60.9 | 177.8 | 0 | 0 | 0 | 112.1 | ||
| 713 | T | 33.8 | Very low | 37.9 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -99.2 | -9.9 | -171.9 | 47.2 | 0 | 0 | 0 | 0 | 115.8 | Q710 K715 | Q710-T713 PolarHBondContact O-OG1 2.93Å; T713-K715 PolarHBondContact O-N 3.35Å |
| 714 | T | 34 | Very low | 36.8 | Very low | 96 Ų | 96 | 150.5 Ų | 150.5 | 59% | 0.589 | 73% | 0.73 | S | S | * | * | trans | -93.5 | 95.6 | -179.2 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | A716 | T714-A716 PolarHBondContact O-N 2.83Š| ||
| 715 | K | 30 | Very low | 35.7 | Very low | 203 Ų | 203 | 152.5 Ų | 152.5 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 128 | 167.7 | -72.2 | 179.8 | 177.1 | 176.7 | 0 | 110 | T713 P717 | T713-K715 PolarHBondContact O-N 3.35Å; K715-P717 WeakPolarHBondContact O-CD 3.36Å |
| 716 | A | 29.7 | Very low | 34.7 | Very low | 92 Ų | 92 | 154.5 Ų | 154.5 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 121.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T714 K718 | T714-A716 PolarHBondContact O-N 2.83Å; A716-K718 PolarHBondContact O-N 2.71Å |
| 717 | P | 34.2 | Very low | 33.8 | Very low | 131 Ų | 131 | 161 Ų | 161 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 128.9 | 171.9 | -18.3 | 31.8 | 0 | 0 | 0 | 110.5 | K715 | K715-P717 WeakPolarHBondContact O-CD 3.36Š|
| 718 | K | 27.7 | Very low | 32.4 | Very low | 189 Ų | 189 | 168.4 Ų | 168.4 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 171.4 | 167.6 | -66.7 | -179.3 | 177.5 | 179.8 | 0 | 110.1 | A716 | A716-K718 PolarHBondContact O-N 2.71Š|
| 719 | T | 31.2 | Very low | 31.4 | Very low | 125 Ų | 125 | 168.9 Ų | 168.9 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | 77.7 | 94.2 | 164.9 | 66.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 720 | T | 27 | Very low | 30.4 | Very low | 127 Ų | 127 | 174 Ų | 174 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | 46 | 130.7 | 119.9 | 54.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 721 | R | 25.4 | Very low | 29.4 | Very low | 247 Ų | 247 | 173 Ų | 173 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | trans | 61.2 | 93.9 | 150.7 | -76.2 | -178.2 | 165.1 | 174.3 | -4.7 | 118.1 | ||||
| 722 | S | 30.3 | Very low | 28.5 | Very low | 119 Ų | 119 | 174.8 Ų | 174.8 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | -166.9 | 107.4 | 113.1 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 723 | R | 26.1 | Very low | 28 | Very low | 224 Ų | 224 | 174.4 Ų | 174.4 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | -78.9 | 163.8 | 154 | -67.4 | -176 | -171.4 | 167.6 | 3.4 | 108.4 | ||||
| 724 | Y | 27 | Very low | 27.6 | Very low | 221 Ų | 221 | 180 Ų | 180 | 87% | 0.867 | 84% | 0.841 | S | S | * | * | trans | 76.6 | 77.8 | 173.6 | -61 | -83.7 | 0 | 0 | 0 | 118.2 | ||||
| 725 | R | 26.2 | Very low | 27.4 | Very low | 239 Ų | 239 | 182.4 Ų | 182.4 | 90% | 0.902 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -160.7 | 73.7 | 142 | -134.1 | 179.1 | -170.2 | 175.4 | 3.4 | 113.2 | ||
| 726 | H | 27.4 | Very low | 27.2 | Very low | 195 Ų | 195 | 182 Ų | 182 | 90% | 0.903 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -166.7 | 8.6 | 156.3 | -99.8 | -34.8 | 0 | 0 | 0 | 117.8 | Y728 | H726-Y728 PolarHBondContact O-N 2.95Š|
| 727 | Y | 26.5 | Very low | 27 | Very low | 207 Ų | 207 | 182.9 Ų | 182.9 | 81% | 0.812 | 85% | 0.851 | S | S | * | * | trans | -103.2 | 56.9 | -178.9 | -123.9 | -94.4 | 0 | 0 | 0 | 113.7 | ||||
| 728 | Y | 24.1 | Very low | 26.6 | Very low | 233 Ų | 233 | 186.5 Ų | 186.5 | 91% | 0.914 | 85% | 0.854 | S | S | * | * | trans | -144.1 | 73.4 | 173.5 | -90.4 | -74.4 | 0 | 0 | 0 | 111.5 | H726 | H726-Y728 PolarHBondContact O-N 2.95Š| ||
| 729 | Q | 26.5 | Very low | 26.3 | Very low | 190 Ų | 190 | 185.2 Ų | 185.2 | 89% | 0.888 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -169.1 | 83.5 | 164.9 | -113.8 | 175.8 | 7.1 | 0 | 0 | 111.2 | ||
| 730 | R | 24.7 | Very low | 26.1 | Very low | 251 Ų | 251 | 186 Ų | 186 | 95% | 0.947 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -175 | -10.3 | 149 | -112.6 | 169.3 | 177.7 | 159.8 | 0.9 | 119.3 | ||
| 731 | C | 24.3 | Very low | 25.9 | Very low | 114 Ų | 114 | 188.9 Ų | 188.9 | 77% | 0.77 | 86% | 0.861 | S | S | * | * | S | Bend | trans | -102 | 155.1 | 170.1 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 732 | Y | 25.6 | Very low | 25.8 | Very low | 228 Ų | 228 | 181.9 Ų | 181.9 | 89% | 0.894 | 85% | 0.85 | S | S | * | * | trans | 79.3 | 70.9 | -174.2 | -54.4 | -74.7 | 0 | 0 | 0 | 117.2 | ||||
| 733 | S | 25.9 | Very low | 25.8 | Very low | 118 Ų | 118 | 185.1 Ų | 185.1 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | trans | -122.7 | 47.8 | 155.7 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 734 | R | 26.7 | Very low | 25.9 | Very low | 232 Ų | 232 | 180.3 Ų | 180.3 | 88% | 0.875 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -163.8 | 106.8 | 169.8 | -102.7 | 165.5 | -161.6 | -169.4 | 4.6 | 109.1 | ||
| 735 | V | 28.6 | Very low | 25.9 | Very low | 145 Ų | 145 | 181.2 Ų | 181.2 | 88% | 0.879 | 85% | 0.846 | S | S | * | * | trans | 139.1 | 111.9 | 161.3 | 173 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 736 | K | 26.3 | Very low | 25.9 | Very low | 195 Ų | 195 | 176.6 Ų | 176.6 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 154.4 | 172.8 | -94.8 | -176.5 | 175.8 | -179.8 | 0 | 110.1 | ||
| 737 | P | 26 | Very low | 26 | Very low | 111 Ų | 111 | 176.3 Ų | 176.3 | 72% | 0.721 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 142.8 | -154.5 | 32.9 | -36.3 | 0 | 0 | 0 | 113.9 | ||
| 738 | F | 24.4 | Very low | 26.3 | Very low | 206 Ų | 206 | 174 Ų | 174 | 90% | 0.904 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 127.9 | 152.9 | -91.5 | -89.9 | 0 | 0 | 0 | 109.1 | ||
| 739 | L | 22 | Very low | 26.4 | Very low | 162 Ų | 162 | 172 Ų | 172 | 85% | 0.848 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 130.4 | 170.3 | -82.3 | 92.8 | 0 | 0 | 0 | 110.1 | ||
| 740 | V | 26.4 | Very low | 26.5 | Very low | 143 Ų | 143 | 168.8 Ų | 168.8 | 87% | 0.867 | 84% | 0.835 | S | S | * | * | trans | -130.2 | 140.6 | 152.1 | -178.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 741 | K | 23.9 | Very low | 26.6 | Very low | 187 Ų | 187 | 166.2 Ų | 166.2 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -81.5 | 153 | -167.8 | -78.8 | 176 | 172.8 | 178 | 0 | 113.7 | ||||
| 742 | S | 22.8 | Very low | 26.7 | Very low | 100 Ų | 100 | 168.9 Ų | 168.9 | 70% | 0.699 | 84% | 0.839 | S | S | * | * | trans | -12.2 | 138.9 | 153.4 | 54.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 743 | H | 30.1 | Very low | 26.7 | Very low | 187 Ų | 187 | 167.6 Ų | 167.6 | 87% | 0.866 | 84% | 0.841 | S | S | * | * | trans | -149 | 153.7 | 134.5 | -106.9 | -62.6 | 0 | 0 | 0 | 112 | ||||
| 744 | D | 29.3 | Very low | 26.7 | Very low | 122 Ų | 122 | 166.4 Ų | 166.4 | 65% | 0.652 | 84% | 0.839 | S | S | * | * | trans | -69 | 147.6 | -173 | -52 | -94.8 | 0 | 0 | 0 | 114.5 | ||||
| 745 | Y | 26.7 | Very low | 26.6 | Very low | 240 Ų | 240 | 161 Ų | 161 | 94% | 0.941 | 84% | 0.837 | S | S | * | * | trans | -137.8 | 95.7 | 144.3 | -106.2 | -86.4 | 0 | 0 | 0 | 109 | ||||
| 746 | N | 26.4 | Very low | 26.6 | Very low | 143 Ų | 143 | 162.3 Ų | 162.3 | 77% | 0.765 | 84% | 0.837 | S | S | * | * | trans | -94.1 | 165.9 | 159.6 | -100.7 | -46.9 | 0 | 0 | 0 | 108.6 | ||||
| 747 | K | 28.4 | Very low | 26.7 | Very low | 188 Ų | 188 | 162.5 Ų | 162.5 | 82% | 0.817 | 84% | 0.837 | S | S | * | * | trans | 86.3 | 107.4 | 166.6 | -151 | -179.2 | -172 | -175.7 | 0 | 115.4 | ||||
| 748 | D | 33.7 | Very low | 26.7 | Very low | 158 Ų | 158 | 162 Ų | 162 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | 173.7 | 57.7 | 131.8 | -84.6 | -8.3 | 0 | 0 | 0 | 110.6 | ||||
| 749 | Q | 26.4 | Very low | 27.1 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | -144.8 | 55.8 | 176.4 | -158.5 | 160.3 | 13.5 | 0 | 0 | 112.3 | ||||
| 750 | S | 27.4 | Very low | 27.2 | Very low | 122 Ų | 122 | 158.3 Ų | 158.3 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -148.1 | 61.4 | 175.1 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 751 | E | 27.4 | Very low | 27.2 | Very low | 197 Ų | 197 | 157.1 Ų | 157.1 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -151.8 | 16.9 | 173.2 | -136.1 | 170.4 | -143.8 | 0 | 0 | 117.1 | ||
| 752 | L | 26.9 | Very low | 27.2 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -125.6 | -2.5 | 179.2 | -151.3 | 67 | 0 | 0 | 0 | 116.3 | ||
| 753 | E | 25.3 | Very low | 27.2 | Very low | 201 Ų | 201 | 155.1 Ų | 155.1 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -118.1 | 63.9 | 177.2 | -68.4 | -169.6 | 165.2 | 0 | 0 | 111.7 | ||
| 754 | A | 26.3 | Very low | 26.9 | Very low | 94 Ų | 94 | 153.2 Ų | 153.2 | 78% | 0.777 | 84% | 0.836 | S | S | * | * | trans | -140.2 | 134.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 755 | S | 24.3 | Very low | 26.5 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | 77.8 | 81.7 | 175.7 | -156.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 756 | I | 29.1 | Very low | 26.6 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 88% | 0.882 | 84% | 0.835 | S | S | * | * | S | Bend | -152.8 | 151.2 | 115.6 | -96 | 152 | 0 | 0 | 0 | 108.3 | |||
| 757 | K | 27.1 | Very low | 26.5 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78 | 145.3 | -153.5 | -73.5 | 168.6 | 174.7 | 172 | 0 | 116.1 | ||
| 758 | S | 27 | Very low | 26.3 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 71% | 0.713 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 146.7 | 163.4 | 39.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 759 | P | 31.2 | Very low | 26.1 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 154.5 | 147.8 | 34.3 | -28.8 | 0 | 0 | 0 | 111.2 | ||
| 760 | I | 24.7 | Very low | 26.1 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 131.6 | -172.3 | -63.8 | 158.6 | 0 | 0 | 0 | 110.8 | ||
| 761 | S | 26.8 | Very low | 25.8 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -152.2 | 142.7 | 154.6 | 59 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 762 | V | 23 | Very low | 25.6 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -89.7 | 143.3 | -157.2 | 170 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 763 | S | 23 | Very low | 26.3 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -65.4 | 130.8 | 170.9 | -34.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 764 | T | 24.2 | Very low | 26 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | -119.6 | 127.4 | 155.5 | 39.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 765 | S | 22 | Very low | 25.9 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -93.2 | 139.4 | -172.7 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 766 | S | 27.3 | Very low | 25.9 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -168.8 | 114.7 | 146.7 | 46.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 767 | S | 25.3 | Very low | 25.9 | Very low | 100 Ų | 100 | 122 Ų | 122 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 49.5 | 104.8 | 134.6 | 60.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 768 | S | 24.1 | Very low | 25.7 | Very low | 107 Ų | 107 | 118.6 Ų | 118.6 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 73.6 | 150.1 | 72.5 | 73.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 769 | P | 30.2 | Very low | 25.5 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | cis | -133.1 | -167.6 | -32.4 | 39.5 | -22.9 | 0 | 0 | 0 | 112.1 | ||||
| 770 | S | 24.5 | Very low | 25.1 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 76.4 | 153.5 | 157.5 | 85 | 0 | 0 | 0 | 0 | 119 | ||||
| 771 | V | 22.8 | Very low | 25 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -155.1 | 146.6 | -25.8 | 129.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 772 | S | 21.6 | Very low | 24.8 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -83.2 | -168.2 | 174.7 | 51.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 773 | P | 42.6 | Very low | 24.9 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -127.7 | -174.6 | -35.3 | 28.5 | -8.2 | 0 | 0 | 0 | 112.5 | ||||
| 774 | S | 19.8 | Very low | 24.8 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -56.8 | 144.8 | 155.9 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 775 | S | 24 | Very low | 24.7 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -161.9 | 116.6 | 141 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 776 | S | 22.9 | Very low | 24.7 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | 38.3 | 151.3 | 138.5 | -54.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 777 | P | 29.4 | Very low | 24.5 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -100.2 | 154.8 | -158.9 | 39.2 | -35.5 | 0 | 0 | 0 | 115.7 | ||||
| 778 | V | 23.2 | Very low | 24.5 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -141.7 | 128.2 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 779 | L | 23.7 | Very low | 24.6 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | 39.4 | 136.8 | 152.5 | -61 | 167.7 | 0 | 0 | 0 | 122.9 | ||||
| 780 | I | 21.8 | Very low | 24.2 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -84.3 | 129.6 | 162.3 | -62.4 | 162.1 | 0 | 0 | 0 | 109 | ||||
| 781 | L | 23.7 | Very low | 24.5 | Very low | 172 Ų | 172 | 140 Ų | 140 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -153.4 | 142.4 | 151.2 | -107.9 | 160.6 | 0 | 0 | 0 | 109.4 | ||||
| 782 | K | 21.8 | Very low | 24.6 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | -91.9 | 176.1 | -175.6 | -72.3 | 179.7 | 169.6 | 178.1 | 0 | 111.5 | ||||
| 783 | E | 24.3 | Very low | 24.7 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | 79.4 | 141.2 | 161.6 | -65.5 | 172.6 | -159.9 | 0 | 0 | 115 | ||||
| 784 | S | 22.4 | Very low | 24 | Very low | 81 Ų | 81 | 146.1 Ų | 146.1 | 57% | 0.566 | 78% | 0.775 | S | S | * | * | cis | -167.7 | 174.9 | -8.2 | 42.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 785 | Y | 20.9 | Very low | 24.3 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | 86.1 | 135.1 | 157.7 | -70 | -67.5 | 0 | 0 | 0 | 123 | ||||
| 786 | K | 21.5 | Very low | 24.4 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 73% | 0.726 | 78% | 0.775 | S | S | * | * | trans | 74.2 | 95.4 | 137.9 | -75.3 | 170.3 | -176.7 | 176.9 | 0 | 117.4 | ||||
| 787 | T | 23.5 | Very low | 24.5 | Very low | 114 Ų | 114 | 148 Ų | 148 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | 65.5 | 117.8 | 87.2 | 61.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 788 | N | 25.2 | Very low | 24.2 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | -170.2 | 146.8 | 114.7 | -93.7 | -22.9 | 0 | 0 | 0 | 112.6 | |||||
| 789 | N | 26.1 | Very low | 24.7 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 54.1 | 112.7 | 156.5 | -55.7 | -25.9 | 0 | 0 | 0 | 118.8 | ||||
| 790 | R | 23.4 | Very low | 24.6 | Very low | 224 Ų | 224 | 145.6 Ų | 145.6 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | cis | 76.5 | 85.5 | 44.1 | -165 | -169.6 | -167.8 | 171.7 | 5.5 | 113.9 | ||||
| 791 | A | 29.9 | Very low | 24.8 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -171 | 147.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 792 | N | 24.2 | Very low | 24.8 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | cis | -161.4 | 143.4 | -38.6 | -124.7 | 5.5 | 0 | 0 | 0 | 106.5 | ||||
| 793 | Y | 24.1 | Very low | 25 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | 22.1 | 109.7 | 162.8 | -56.6 | -82.8 | 0 | 0 | 0 | 119.7 | ||||
| 794 | N | 28.5 | Very low | 24.9 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | -145.7 | 126.6 | 102.4 | -107.5 | -24 | 0 | 0 | 0 | 111.3 | |||||
| 795 | L | 26.1 | Very low | 24.9 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -125.3 | 110.2 | -175.1 | -179.5 | 90.2 | 0 | 0 | 0 | 106.5 | ||||
| 796 | T | 25.3 | Very low | 25 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | -162.4 | 135.1 | 174.9 | -9.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 797 | S | 25.3 | Very low | 25.1 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | 47.6 | 107.8 | 162.1 | 51.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 798 | I | 24.2 | Very low | 25.2 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | cis | 55.4 | 131.3 | 31.4 | -45.4 | 176.3 | 0 | 0 | 0 | 112.6 | ||||
| 799 | P | 32.9 | Very low | 25 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | cis | -119.4 | 168.2 | -5.9 | 30 | -11.2 | 0 | 0 | 0 | 114.7 | ||||
| 800 | S | 22.1 | Very low | 24.9 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | -50.2 | 140.6 | 155.7 | 35.9 | 0 | 0 | 0 | 0 | 111.9 | T802 | S800-T802 PolarHBondContact O-N 2.83Å; S800-T802 PolarHBondContact O-OG1 2.83Å | ||
| 801 | T | 26.2 | Very low | 24.9 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -65.7 | 97.3 | 170.3 | 35.9 | 0 | 0 | 0 | 0 | 110.3 | K803 | T801-K803 PolarHBondContact O-N 3.19Š| ||
| 802 | T | 22.1 | Very low | 24.4 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -68.9 | 89.8 | 178.5 | -22 | 0 | 0 | 0 | 0 | 110.6 | S800 | S800-T802 PolarHBondContact O-N 2.83Å; S800-T802 PolarHBondContact O-OG1 2.83Å | ||
| 803 | K | 26.2 | Very low | 24.3 | Very low | 198 Ų | 198 | 141 Ų | 141 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -108.5 | 55.4 | 156.6 | -88.1 | -171.2 | 174.5 | 179.7 | 0 | 110.7 | T801 T805 | T801-K803 PolarHBondContact O-N 3.19Å; K803-T805 PolarHBondContact O-N 2.88Å | ||
| 804 | I | 22.4 | Very low | 24.3 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -87.3 | 93.9 | 152.6 | -58.4 | 177.5 | 0 | 0 | 0 | 105.5 | ||||
| 805 | T | 23.2 | Very low | 24.1 | Very low | 110 Ų | 110 | 138 Ų | 138 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | trans | -146.7 | 121.2 | 170.5 | -16.2 | 0 | 0 | 0 | 0 | 108.8 | K803 | K803-T805 PolarHBondContact O-N 2.88Š| ||
| 806 | K | 23.6 | Very low | 24.1 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | trans | 68 | 68.5 | 173.8 | -55.8 | -176.9 | 177.9 | -177.7 | 0 | 116.2 | S808 | K806-S808 PolarHBondContact O-N 3.07Š| ||
| 807 | T | 22.8 | Very low | 24.2 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | -61.9 | 94 | 116 | 29.5 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 808 | S | 24.8 | Very low | 24.1 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -98.1 | 79.8 | 156.5 | 56.2 | 0 | 0 | 0 | 0 | 106.8 | K806 | K806-S808 PolarHBondContact O-N 3.07Š| ||
| 809 | E | 22.9 | Very low | 24.3 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -68.4 | 137.1 | 164.5 | -68.5 | -177.3 | 138.7 | 0 | 0 | 108.9 | ||||
| 810 | N | 23 | Very low | 24 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 48.7 | 130.5 | 140.2 | -58.8 | -17.1 | 0 | 0 | 0 | 120.7 | ||||
| 811 | E | 22.5 | Very low | 24.2 | Very low | 175 Ų | 175 | 149.9 Ų | 149.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 67.4 | 96.2 | 147.6 | -63.8 | 171.3 | -160.4 | 0 | 0 | 118 | ||||
| 812 | C | 20.2 | Very low | 24.1 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | -170.3 | 149.9 | 97.4 | -99.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 813 | N | 23.1 | Very low | 24.3 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -64.4 | 130.1 | 173.3 | -75.1 | -63.9 | 0 | 0 | 0 | 112.6 | K815 | N813-K815 PolarHBondContact O-N 2.89Š| ||
| 814 | S | 23.6 | Very low | 24.2 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -76.8 | 92.9 | 137.8 | 55.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 815 | K | 24.6 | Very low | 24.5 | Very low | 178 Ų | 178 | 150.9 Ų | 150.9 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | 76 | 100.5 | 96.7 | -78.3 | -179.4 | 178.8 | 177.5 | 0 | 114.1 | N813 | N813-K815 PolarHBondContact O-N 2.89Š| |||
| 816 | S | 25.7 | Very low | 24.4 | Very low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | 82 | 146.2 | 124.3 | 96.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 817 | I | 26.2 | Very low | 24.4 | Very low | 135 Ų | 135 | 152.2 Ų | 152.2 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | -161 | 150.8 | -1.6 | -131.7 | 170 | 0 | 0 | 0 | 112 | ||||
| 818 | R | 24.6 | Very low | 24.7 | Very low | 203 Ų | 203 | 155.7 Ų | 155.7 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 112.3 | 155.1 | -76.2 | 174.9 | -175.3 | 174 | -0.2 | 121.2 | ||||
| 819 | H | 28.2 | Very low | 24.6 | Very low | 148 Ų | 148 | 160.1 Ų | 160.1 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | 54.6 | 140.3 | 102 | -69.9 | -21.3 | 0 | 0 | 0 | 119 | |||||
| 820 | R | 27 | Very low | 24.7 | Very low | 191 Ų | 191 | 157.8 Ų | 157.8 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | cis | -172.4 | 152.5 | 16.4 | -114.7 | 173.4 | -151.7 | 178.2 | 3.6 | 108.8 | ||||
| 821 | Y | 26.4 | Very low | 24.9 | Very low | 206 Ų | 206 | 158.9 Ų | 158.9 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | 64.9 | 155 | 152.3 | -75.6 | -130 | 0 | 0 | 0 | 117.1 | ||||
| 822 | C | 24 | Very low | 25.2 | Very low | 91 Ų | 91 | 158.7 Ų | 158.7 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | cis | -157.1 | 153 | -23.5 | -116.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 823 | Q | 26 | Very low | 25.4 | Very low | 164 Ų | 164 | 160.2 Ų | 160.2 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | 30.6 | 122.7 | 151.9 | -66.7 | 177.4 | -44.6 | 0 | 0 | 122.6 | ||||
| 824 | H | 24.4 | Very low | 25.6 | Very low | 168 Ų | 168 | 162.7 Ų | 162.7 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | trans | 41.2 | 122.9 | 139.4 | -64.9 | -79.1 | 0 | 0 | 0 | 121.6 | ||||
| 825 | H | 27.5 | Very low | 25.7 | Very low | 198 Ų | 198 | 160.7 Ų | 160.7 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | -152.2 | 158.1 | 125.6 | -113.8 | -80.8 | 0 | 0 | 0 | 112.3 | |||||
| 826 | H | 22.6 | Very low | 26 | Very low | 155 Ų | 155 | 159.4 Ų | 159.4 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -92 | 160.2 | -170.5 | -129.2 | -101.5 | 0 | 0 | 0 | 113.2 | ||||
| 827 | H | 23.2 | Very low | 25.9 | Very low | 163 Ų | 163 | 162.7 Ų | 162.7 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 55.5 | 118.5 | 160.5 | -73.9 | -18.3 | 0 | 0 | 0 | 119.8 | ||||
| 828 | H | 29.4 | Very low | 26 | Very low | 197 Ų | 197 | 167.2 Ų | 167.2 | 91% | 0.912 | 77% | 0.765 | S | S | * | * | -150.1 | 159.5 | 114.7 | -129 | -92.1 | 0 | 0 | 0 | 112.6 | |||||
| 829 | Y | 22 | Very low | 26 | Very low | 194 Ų | 194 | 164 Ų | 164 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | trans | -115.7 | 147.6 | -167.8 | 178.7 | -121.1 | 0 | 0 | 0 | 110.7 | ||||
| 830 | I | 25.8 | Very low | 25.9 | Very low | 109 Ų | 109 | 163.5 Ų | 163.5 | 56% | 0.559 | 76% | 0.761 | S | S | * | * | trans | 81 | 156.3 | 152.2 | -109.3 | -172.4 | 0 | 0 | 0 | 121.2 | ||||
| 831 | Q | 25.3 | Very low | 25.8 | Very low | 154 Ų | 154 | 159.8 Ų | 159.8 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 69.1 | 109.2 | 164.9 | -85.3 | 153 | 24.9 | 0 | 0 | 119.7 | ||||
| 832 | H | 29.1 | Very low | 25.6 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | -167.1 | 138.1 | 87.2 | -112.6 | -76.6 | 0 | 0 | 0 | 115 | |||||
| 833 | L | 24.3 | Very low | 25.8 | Very low | 164 Ų | 164 | 160.5 Ų | 160.5 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | -80.2 | 147 | 163.4 | -74.2 | 131.1 | 0 | 0 | 0 | 111.3 | ||||
| 834 | K | 28.5 | Very low | 25.7 | Very low | 206 Ų | 206 | 159.2 Ų | 159.2 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | trans | -177.7 | 153.5 | 153 | -100.9 | 166 | -173 | -179.5 | 0 | 109 | ||||
| 835 | A | 26.1 | Very low | 25.6 | Very low | 72 Ų | 72 | 157.6 Ų | 157.6 | 60% | 0.595 | 76% | 0.764 | S | S | * | * | cis | -174.8 | 167.3 | -28.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 836 | N | 30 | Very low | 25.9 | Very low | 150 Ų | 150 | 155.6 Ų | 155.6 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | 77.4 | 124.9 | 165.5 | -50.7 | -29 | 0 | 0 | 0 | 117 | ||||
| 837 | K | 23 | Very low | 26.1 | Very low | 177 Ų | 177 | 154.4 Ų | 154.4 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | cis | 82 | 113.8 | 40.9 | -79.7 | -162.2 | 167.2 | -163.9 | 0 | 115.8 | ||||
| 838 | R | 28.5 | Very low | 26.4 | Very low | 231 Ų | 231 | 155.3 Ų | 155.3 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | 178.3 | 124.9 | 134.8 | -96.8 | 166.8 | 176.5 | 177.8 | -1 | 106.7 | ||||
| 839 | E | 24.4 | Very low | 26.2 | Very low | 136 Ų | 136 | 154.3 Ų | 154.3 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | 91.5 | 124.6 | 46.4 | -79.1 | 179.2 | -175.8 | 0 | 0 | 114.5 | ||||
| 840 | N | 25.9 | Very low | 26.1 | Very low | 137 Ų | 137 | 152 Ų | 152 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 73.1 | 155.5 | 153.5 | -53.9 | -19.5 | 0 | 0 | 0 | 116.6 | ||||
| 841 | T | 25.1 | Very low | 26 | Very low | 113 Ų | 113 | 154.7 Ų | 154.7 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | cis | -164.8 | 135.9 | 17.4 | -11.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 842 | I | 23.5 | Very low | 25.9 | Very low | 151 Ų | 151 | 154.7 Ų | 154.7 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | trans | 44.5 | 156.6 | 132 | -44.2 | 174.8 | 0 | 0 | 0 | 121.7 | ||||
| 843 | I | 26.4 | Very low | 26.1 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | 104.5 | 135.8 | 155.4 | -55.2 | 176.4 | 0 | 0 | 0 | 114.5 | ||||
| 844 | N | 24.4 | Very low | 26 | Very low | 137 Ų | 137 | 149.7 Ų | 149.7 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | cis | -165.2 | 179.9 | -32 | -157.5 | 7.2 | 0 | 0 | 0 | 108.2 | ||||
| 845 | N | 22.7 | Very low | 25.8 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | -52.6 | 157.2 | 177.8 | -52.6 | -42.9 | 0 | 0 | 0 | 115.6 | ||||
| 846 | D | 33.2 | Very low | 25.6 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | -165.7 | 136 | 128.8 | -93.3 | -22.3 | 0 | 0 | 0 | 113.7 | |||||
| 847 | D | 27.7 | Very low | 25.2 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | 26.5 | 115.4 | 153.7 | -72.3 | -8.5 | 0 | 0 | 0 | 123.4 | ||||
| 848 | L | 28.2 | Very low | 25.3 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 95% | 0.953 | 77% | 0.765 | S | S | * | * | -147.2 | 134.3 | 129.6 | -123.8 | 148.2 | 0 | 0 | 0 | 111.7 | |||||
| 849 | K | 25.6 | Very low | 25 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -86.3 | 146.3 | -154.1 | -79.9 | 173.6 | 176.8 | 167.3 | 0 | 116 | ||||
| 850 | L | 20.9 | Very low | 25.2 | Very low | 146 Ų | 146 | 141 Ų | 141 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -67.1 | 128.5 | 168.5 | -173.4 | 77.4 | 0 | 0 | 0 | 112.2 | Q852 | L850-Q852 HydrophobicContact CD1-CG 4.23Š| ||
| 851 | I | 22.2 | Very low | 25 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -135.1 | 112 | 152.9 | -59.9 | -177.8 | 0 | 0 | 0 | 108.1 | ||||
| 852 | Q | 24.2 | Very low | 25 | Very low | 154 Ų | 154 | 143 Ų | 143 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -106.1 | -167.2 | 162.2 | -63.7 | -168.8 | -45 | 0 | 0 | 108.9 | L850 | L850-Q852 HydrophobicContact CD1-CG 4.23Š| ||
| 853 | P | 33.2 | Very low | 25 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | -127.8 | 153 | -83.2 | 38.1 | -22.6 | 0 | 0 | 0 | 112.8 | S855 | P853-S855 PolarHBondContact O-N 2.98Š| |||
| 854 | S | 22 | Very low | 24.8 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -85.1 | 96 | 161.7 | 54.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 855 | S | 24 | Very low | 24.7 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | -98.5 | 137.2 | 168.8 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | P853 | P853-S855 PolarHBondContact O-N 2.98Š| ||
| 856 | T | 22.1 | Very low | 24.7 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -142.5 | 103.8 | 165.2 | -48.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 857 | I | 21.8 | Very low | 24.2 | Very low | 158 Ų | 158 | 142 Ų | 142 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -107.5 | 114 | 172 | -64.9 | 173.4 | 0 | 0 | 0 | 106.6 | ||||
| 858 | S | 26 | Very low | 24 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -141 | 100.8 | 167.4 | 52.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 859 | N | 22.2 | Very low | 23.8 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | 49.1 | 107.3 | 88 | -74.5 | -20.2 | 0 | 0 | 0 | 112.8 | |||||
| 860 | I | 27.3 | Very low | 23.9 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | -165.4 | 147.6 | 101.6 | -91.6 | 153 | 0 | 0 | 0 | 109.5 | |||||
| 861 | K | 22.1 | Very low | 24 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | -97.7 | -172.4 | -177.1 | -97.1 | -178.7 | 172.8 | -178.1 | 0 | 111.3 | ||||
| 862 | S | 25.3 | Very low | 24.1 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 73 | 147.3 | 155.5 | 42.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 863 | N | 22.9 | Very low | 24 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | cis | -156.6 | 139.1 | -11.7 | -101.5 | 4.2 | 0 | 0 | 0 | 105.7 | ||||
| 864 | E | 23.6 | Very low | 23.6 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | 81.3 | 148.5 | 81.5 | -144.5 | -179.8 | -139.1 | 0 | 0 | 114.9 | |||||
| 865 | L | 22.6 | Very low | 23.6 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | 71.4 | 123.4 | -171.8 | -70.5 | 79.3 | 0 | 0 | 0 | 116.1 | ||||
| 866 | V | 22.1 | Very low | 23.5 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | cis | 92.3 | 136.7 | 26.5 | -177.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 867 | N | 22.6 | Very low | 23.6 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | 75.9 | 147.2 | 177.1 | -83.8 | 3.5 | 0 | 0 | 0 | 118.8 | ||||
| 868 | S | 23.5 | Very low | 23.6 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 55% | 0.552 | 73% | 0.729 | S | S | * | * | cis | 178.6 | 150 | -37.3 | 46.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 869 | N | 24.6 | Very low | 23.5 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | 78.1 | 154.6 | 142.5 | -74.1 | 11.1 | 0 | 0 | 0 | 123 | ||||
| 870 | D | 26.9 | Very low | 23.5 | Very low | 132 Ų | 132 | 136 Ų | 136 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 73.5 | 142 | 158.4 | -53.5 | -15 | 0 | 0 | 0 | 119.7 | ||||
| 871 | Y | 22.6 | Very low | 23.3 | Very low | 190 Ų | 190 | 135 Ų | 135 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | cis | -168.5 | 168.5 | -31.4 | -127.2 | -74.1 | 0 | 0 | 0 | 108.6 | ||||
| 872 | H | 25.1 | Very low | 23.4 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | trans | 69.1 | 102.7 | 148.2 | -76.9 | -55.1 | 0 | 0 | 0 | 123.6 | ||||
| 873 | S | 22.7 | Very low | 23.3 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | 90.9 | 149.9 | 105.9 | 80 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 874 | N | 23.4 | Very low | 23.5 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | 74.1 | 146.1 | 150.7 | -62 | -13.1 | 0 | 0 | 0 | 118.5 | ||||
| 875 | T | 21.9 | Very low | 23.3 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | cis | -163.1 | 144.4 | -11.6 | -93.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 876 | V | 21.9 | Very low | 23.4 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | trans | 11.7 | 127.3 | 152.8 | -173.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 877 | N | 25.3 | Very low | 23.6 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | 171.1 | 159.8 | 135.4 | -92.7 | -14 | 0 | 0 | 0 | 109.4 | ||||
| 878 | S | 21.9 | Very low | 23.9 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | cis | -174.1 | 141.1 | -30.5 | 52.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 879 | E | 22.3 | Very low | 23.9 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | trans | 71.4 | 139.2 | 152.9 | -70.7 | -167.7 | 171.7 | 0 | 0 | 124.9 | ||||
| 880 | N | 22.4 | Very low | 23.9 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 58% | 0.583 | 74% | 0.736 | S | S | * | * | trans | 80.3 | 108.7 | 136.3 | -75.8 | -36.7 | 0 | 0 | 0 | 124.1 | ||||
| 881 | Q | 24.1 | Very low | 23.9 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | 40.2 | 122.8 | 121 | -56.1 | -179.9 | 33.1 | 0 | 0 | 119.6 | |||||
| 882 | N | 24.6 | Very low | 24 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | -176.9 | 143.3 | 98 | -100.3 | -66.7 | 0 | 0 | 0 | 113.6 | |||||
| 883 | S | 22 | Very low | 23.9 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -92.1 | 137.3 | 162.5 | 49.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 884 | K | 26.8 | Very low | 24.1 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | trans | -141.2 | 113.7 | 161.7 | -77.8 | -169.4 | 177.7 | 175.2 | 0 | 109.9 | ||||
| 885 | G | 20.9 | Very low | 24.3 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -83.7 | 155.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 886 | Y | 24.7 | Very low | 24.6 | Very low | 232 Ų | 232 | 143.7 Ų | 143.7 | 91% | 0.91 | 75% | 0.75 | S | S | * | * | trans | -123.7 | 124.7 | 164.8 | -101.3 | -88.4 | 0 | 0 | 0 | 108.9 | ||||
| 887 | S | 26.2 | Very low | 24.7 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -99.2 | 164.4 | 159.7 | 59.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 888 | P | 28.1 | Very low | 24.8 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | -153.2 | 129.2 | 107.9 | 34 | -14.4 | 0 | 0 | 0 | 118.2 | |||||
| 889 | I | 23 | Very low | 24.8 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | 43.7 | 125.3 | 124.3 | -38.2 | 163.7 | 0 | 0 | 0 | 121.2 | |||||
| 890 | K | 25.5 | Very low | 24.9 | Very low | 185 Ų | 185 | 144 Ų | 144 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 145.9 | 137.9 | 138.6 | -82.5 | 168.4 | -169.2 | 176 | 0 | 109.6 | ||||
| 891 | K | 26.8 | Very low | 24.8 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | cis | -158.6 | 149.5 | 19.3 | -115.1 | 164 | -179.8 | -174.8 | 0 | 111.3 | ||||
| 892 | L | 23.8 | Very low | 24.9 | Very low | 143 Ų | 143 | 144 Ų | 144 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | 52.7 | 105.2 | 129.9 | -135.9 | 71.4 | 0 | 0 | 0 | 118.7 | |||||
| 893 | N | 23.6 | Very low | 24.9 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | 54.3 | 118.9 | 77 | -76.2 | 13.7 | 0 | 0 | 0 | 115.8 | |||||
| 894 | D | 27.9 | Very low | 24.9 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | 178.4 | 164.2 | 108.6 | -86.7 | -25.1 | 0 | 0 | 0 | 113.6 | |||||
| 895 | Y | 26.9 | Very low | 24.8 | Very low | 200 Ų | 200 | 141 Ų | 141 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | 87.6 | 104.4 | 167 | -66.8 | -80.2 | 0 | 0 | 0 | 122.3 | ||||
| 896 | I | 27 | Very low | 24.8 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 84.7 | 108.1 | 137 | -61.2 | 163.4 | 0 | 0 | 0 | 119.3 | ||||
| 897 | L | 25.9 | Very low | 24.9 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -95 | 141.1 | 154.7 | -177.3 | 72.6 | 0 | 0 | 0 | 108.9 | T899 | L897-T899 HydrophobicContact CD2-CG2 3.73Å; L897-T899 HydrophobicContact CG-CG2 4.02Å | ||
| 898 | P | 26.7 | Very low | 24.8 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | -134.7 | 108.9 | 125.4 | 32.7 | -20.2 | 0 | 0 | 0 | 110.5 | |||||
| 899 | T | 22.4 | Very low | 24.8 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | 53.3 | 86.8 | 92.1 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | L897 | L897-T899 HydrophobicContact CD2-CG2 3.73Å; L897-T899 HydrophobicContact CG-CG2 4.02Å | |||
| 900 | M | 22.8 | Very low | 24.9 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -138.6 | 117.1 | 133.5 | -98.5 | -62 | 174.9 | 0 | 0 | 109.1 | ||||
| 901 | T | 21.6 | Very low | 25 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -107.9 | 131.6 | -178.8 | 43.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 902 | T | 26.5 | Very low | 24.9 | Very low | 134 Ų | 134 | 139 Ų | 139 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -162.1 | 114.6 | 150.5 | 12.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 903 | T | 24 | Very low | 24.9 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 25.6 | 112.8 | 143.8 | 46.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 904 | I | 21.5 | Very low | 25 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | 59.3 | 100.6 | 59.5 | -50.6 | 178.7 | 0 | 0 | 0 | 115.3 | |||||
| 905 | A | 24.7 | Very low | 24.6 | Very low | 91 Ų | 91 | 144.5 Ų | 144.5 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -156.5 | 106.2 | 138.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 906 | K | 21.9 | Very low | 24.4 | Very low | 188 Ų | 188 | 143 Ų | 143 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | 55.9 | 106 | 95.7 | -85.7 | -172.4 | 177.2 | -178.9 | 0 | 112.3 | |||||
| 907 | I | 25.9 | Very low | 24.1 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | -167 | 145 | 70.7 | -90.8 | 144.5 | 0 | 0 | 0 | 111.3 | |||||
| 908 | T | 24.3 | Very low | 24 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -89 | 147.8 | 170.4 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 909 | N | 28.4 | Very low | 23.9 | Very low | 166 Ų | 166 | 145 Ų | 145 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -143.8 | 126.4 | 148.5 | -97.7 | -24.3 | 0 | 0 | 0 | 109.9 | ||||
| 910 | S | 25.4 | Very low | 23.9 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 157.7 | -174 | -67.4 | 0 | 0 | 0 | 0 | 112 | ||
| 911 | P | 27.5 | Very low | 24 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.3 | 178.1 | 28.5 | -35.3 | 0 | 0 | 0 | 112.5 | ||
| 912 | V | 24.7 | Very low | 24.2 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 120.5 | 178.3 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | V914 | V912-V914 HydrophobicContact CG1-CG2 3.97Š|
| 913 | I | 23.8 | Very low | 23.9 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -103.7 | 111.8 | 170.2 | -62.6 | 173 | 0 | 0 | 0 | 108 | ||||
| 914 | V | 24.8 | Very low | 23.9 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -87.6 | 141.3 | 174.4 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | V912 | V912-V914 HydrophobicContact CG1-CG2 3.97Š| ||
| 915 | R | 20.6 | Very low | 24 | Very low | 237 Ų | 237 | 145.8 Ų | 145.8 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | trans | -117.6 | 134.3 | -160 | -156.3 | 179.4 | -164.9 | 176.9 | 4.3 | 111.3 | ||||
| 916 | L | 22.1 | Very low | 23.9 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -78.6 | 140.5 | 174.8 | -77.6 | 143.1 | 0 | 0 | 0 | 113 | ||||
| 917 | K | 21.7 | Very low | 24.1 | Very low | 207 Ų | 207 | 147.9 Ų | 147.9 | 90% | 0.9 | 77% | 0.772 | S | S | * | * | trans | 154.9 | 150.9 | 158.8 | -90.7 | 162.4 | -174.7 | -170.1 | 0 | 108.9 | ||||
| 918 | S | 23 | Very low | 24.1 | Very low | 95 Ų | 95 | 149.1 Ų | 149.1 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | cis | -170.8 | -175 | 5.7 | 44.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 919 | L | 23.9 | Very low | 24.2 | Very low | 138 Ų | 138 | 151.9 Ų | 151.9 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | 88.9 | 114.1 | 161.9 | -60.2 | 148.2 | 0 | 0 | 0 | 116.2 | ||||
| 920 | N | 22.7 | Very low | 24.1 | Very low | 125 Ų | 125 | 151.6 Ų | 151.6 | 67% | 0.668 | 77% | 0.77 | S | S | * | * | 82.6 | 148 | 94.4 | -73.4 | 22 | 0 | 0 | 0 | 112.5 | |||||
| 921 | E | 25 | Very low | 24.2 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | cis | -162.4 | 144.2 | 24 | -134.2 | 146 | -124.7 | 0 | 0 | 114.1 | ||||
| 922 | T | 25.5 | Very low | 24.1 | Very low | 105 Ų | 105 | 156.1 Ų | 156.1 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | trans | 34.7 | 132.4 | 142.9 | 58.8 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 923 | N | 21.4 | Very low | 24.3 | Very low | 129 Ų | 129 | 154.3 Ų | 154.3 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | 64.1 | 126.5 | 128.5 | -58.2 | -18.9 | 0 | 0 | 0 | 123.4 | |||||
| 924 | Y | 23 | Very low | 24.4 | Very low | 224 Ų | 224 | 152.9 Ų | 152.9 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | -173.7 | 176.1 | 96.5 | -103.3 | -71.9 | 0 | 0 | 0 | 113.3 | |||||
| 925 | T | 23.4 | Very low | 24.4 | Very low | 109 Ų | 109 | 153.4 Ų | 153.4 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | -127.4 | 151.5 | -155.8 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 926 | L | 23.4 | Very low | 24.6 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | 169.2 | 141.8 | 122.1 | -117 | 72.3 | 0 | 0 | 0 | 116.3 | |||||
| 927 | K | 26.4 | Very low | 24.8 | Very low | 181 Ų | 181 | 151 Ų | 151 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | trans | 24.5 | 158.7 | 134 | -66.7 | 175.4 | -172.1 | 173 | 0 | 122.6 | ||||
| 928 | K | 25 | Very low | 24.9 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | cis | 177.8 | 166.9 | -19.5 | -166.3 | 178.7 | -175.1 | -172 | 0 | 108.9 | ||||
| 929 | Q | 25.6 | Very low | 25.1 | Very low | 178 Ų | 178 | 149.9 Ų | 149.9 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | 95.3 | 164.7 | 166.8 | -58.3 | -178.3 | -57.2 | 0 | 0 | 118.8 | ||||
| 930 | Q | 27.1 | Very low | 25 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | -169.4 | 165.6 | -56.8 | -150.5 | 166 | -18.4 | 0 | 0 | 111.4 | |||||
| 931 | N | 28.3 | Very low | 25 | Very low | 133 Ų | 133 | 150.3 Ų | 150.3 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 87.2 | 130 | 170.1 | -51 | -15.7 | 0 | 0 | 0 | 116.6 | ||||
| 932 | Q | 25.3 | Very low | 25.1 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | 75.4 | 136.9 | 54.2 | -75.1 | -172.6 | -12.6 | 0 | 0 | 114.1 | |||||
| 933 | S | 28.7 | Very low | 25.3 | Very low | 92 Ų | 92 | 152.8 Ų | 152.8 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | cis | -168.4 | 174.8 | -0.2 | 57.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 934 | T | 26.6 | Very low | 25.9 | Very low | 127 Ų | 127 | 154.8 Ų | 154.8 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | 65.2 | 159.4 | 151.1 | 42.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 935 | L | 23.1 | Very low | 26.1 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | cis | -170.5 | 137 | -24 | -172 | 79.3 | 0 | 0 | 0 | 113.7 | ||||
| 936 | I | 25.1 | Very low | 26.3 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | trans | 28.5 | 132.5 | 152.9 | -56.8 | 166.7 | 0 | 0 | 0 | 123.5 | ||||
| 937 | K | 25.7 | Very low | 26.2 | Very low | 211 Ų | 211 | 149.3 Ų | 149.3 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -168.7 | 161.8 | 132.1 | -115.3 | 175.4 | -177.8 | 178.9 | 0 | 115.4 | ||||
| 938 | S | 24.7 | Very low | 26 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -146.2 | 140.9 | -169.6 | 54 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 939 | L | 28.3 | Very low | 25.8 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -157.9 | -177.7 | 173.2 | -77.4 | 175.8 | 0 | 0 | 0 | 108.6 | ||||
| 940 | S | 21 | Very low | 25.7 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | -149.4 | 177.7 | -82.8 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 941 | M | 22.5 | Very low | 25.6 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | -80.5 | 161.7 | -171.5 | -50.1 | -172.4 | 79.8 | 0 | 0 | 116.1 | ||||
| 942 | N | 27.7 | Very low | 25.4 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | -170.8 | 146 | 126.6 | -97.4 | -1.8 | 0 | 0 | 0 | 111.9 | |||||
| 943 | D | 28.4 | Very low | 25.5 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -98 | 154.2 | 172.5 | -69 | -60.2 | 0 | 0 | 0 | 111.1 | ||||
| 944 | D | 35.6 | Very low | 25.4 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 92% | 0.92 | 76% | 0.762 | S | S | * | * | trans | -150.7 | 147.6 | 159.7 | -104.7 | -40.4 | 0 | 0 | 0 | 111.2 | ||||
| 945 | S | 26.1 | Very low | 25.3 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | -134 | 172.3 | -170.7 | 62 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 946 | N | 27.2 | Very low | 25.3 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | 98.3 | 154.2 | 173.9 | -58.2 | -64.8 | 0 | 0 | 0 | 117 | ||||
| 947 | N | 22.5 | Very low | 25.6 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | cis | -172 | 162.1 | -33.7 | -159.2 | -12.1 | 0 | 0 | 0 | 109.1 | ||||
| 948 | Y | 21.1 | Very low | 25.5 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 73% | 0.725 | 76% | 0.756 | S | S | * | * | trans | 79.6 | 135 | 153.7 | -83 | -63.3 | 0 | 0 | 0 | 126.6 | ||||
| 949 | N | 22.3 | Very low | 25.4 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | trans | 91.3 | 89.4 | 134.7 | -76.5 | -21.8 | 0 | 0 | 0 | 125.2 | ||||
| 950 | I | 23.4 | Very low | 25.4 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 68% | 0.677 | 76% | 0.755 | S | S | * | * | 36.4 | 119.2 | 103 | -51.8 | 169.9 | 0 | 0 | 0 | 120.7 | |||||
| 951 | N | 24.1 | Very low | 25.6 | Very low | 142 Ų | 142 | 144 Ų | 144 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | 174.6 | 126.8 | 127.4 | -97.8 | -27.1 | 0 | 0 | 0 | 108.7 | |||||
| 952 | N | 23.5 | Very low | 25.8 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | 88 | 146 | 59.1 | -77.2 | -30.6 | 0 | 0 | 0 | 114.8 | |||||
| 953 | N | 27.8 | Very low | 25.8 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | 89.8 | 138.9 | 175.9 | -50.2 | -13.2 | 0 | 0 | 0 | 115.9 | ||||
| 954 | A | 26 | Very low | 25.9 | Very low | 73 Ų | 73 | 144.4 Ų | 144.4 | 60% | 0.603 | 76% | 0.758 | S | S | * | * | cis | -164.6 | 160.1 | -14.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 955 | E | 24.4 | Very low | 25.6 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | 46.2 | 118.7 | 140.4 | -70.3 | 157.6 | -157.4 | 0 | 0 | 119.3 | ||||
| 956 | D | 24.3 | Very low | 25.6 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | 109.6 | 123.2 | 52.5 | -103.4 | -35.1 | 0 | 0 | 0 | 110.3 | |||||
| 957 | H | 30.6 | Very low | 25.7 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 173.4 | 109.9 | 138.4 | -99.2 | -73.5 | 0 | 0 | 0 | 113 | ||||
| 958 | Q | 23.9 | Very low | 26.3 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 50.6 | 104.6 | 130.6 | -72.4 | 169.1 | -9.9 | 0 | 0 | 121.8 | ||||
| 959 | T | 23 | Very low | 26.8 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | 37.7 | 125.9 | 112.6 | 58.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 960 | T | 27.2 | Very low | 27.2 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | -169.3 | 167.5 | 109.6 | -63 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 961 | E | 26.2 | Very low | 27.5 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -90.4 | 164 | -157.6 | -55.6 | 163.5 | 108.7 | 0 | 0 | 117 | ||||
| 962 | S | 27.3 | Very low | 27.9 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | 121.1 | 140.1 | 126.4 | -154.7 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 963 | K | 27.1 | Very low | 28.1 | Very low | 190 Ų | 190 | 157.9 Ų | 157.9 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -90 | 138.3 | -172.4 | -61.9 | 155.4 | 175.6 | 165.8 | 0 | 110.3 | ||||
| 964 | H | 29.9 | Very low | 28.3 | Very low | 168 Ų | 168 | 157.3 Ų | 157.3 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | -167 | 87.5 | 130.4 | -116.6 | -88.3 | 0 | 0 | 0 | 111 | D967 | H964-D967 IonicContact ND1-OD2 3.99Š| ||
| 965 | I | 29.3 | Very low | 28.6 | Very low | 168 Ų | 168 | 159.9 Ų | 159.9 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | trans | -128.7 | 84.5 | 166.9 | -60.6 | 172.3 | 0 | 0 | 0 | 106.7 | ||||
| 966 | K | 25.6 | Very low | 29 | Very low | 192 Ų | 192 | 159.5 Ų | 159.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -155.9 | 26.4 | 175.2 | -134.4 | -177.7 | -176.8 | -173.6 | 0 | 116.4 | ||||
| 967 | D | 30.9 | Very low | 29.1 | Very low | 116 Ų | 116 | 162.2 Ų | 162.2 | 62% | 0.62 | 81% | 0.811 | S | S | * | * | trans | -116.6 | 1.9 | -178.3 | -68.9 | -59.1 | 0 | 0 | 0 | 115 | H964 | H964-D967 IonicContact ND1-OD2 3.99Š| ||
| 968 | T | 34.5 | Very low | 29 | Very low | 127 Ų | 127 | 165.6 Ų | 165.6 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -0.7 | -170.4 | -32 | 0 | 0 | 0 | 0 | 115.3 | ||
| 969 | I | 31.7 | Very low | 29.3 | Very low | 170 Ų | 170 | 165.3 Ų | 165.3 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 39.8 | 177.1 | -40.6 | 177 | 0 | 0 | 0 | 111.7 | ||
| 970 | L | 29.8 | Very low | 29.5 | Very low | 166 Ų | 166 | 166.6 Ų | 166.6 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -137.9 | 26.3 | 163.8 | -150.7 | 75.8 | 0 | 0 | 0 | 113 | ||
| 971 | Q | 31.6 | Very low | 29.5 | Very low | 154 Ų | 154 | 168 Ų | 168 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -119 | 11.7 | -179.8 | -82.6 | -168.6 | -10.6 | 0 | 0 | 115.2 | ||
| 972 | Q | 31.8 | Very low | 29.5 | Very low | 193 Ų | 193 | 169.5 Ų | 169.5 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -119.6 | 6.7 | 180 | -85.7 | -169.3 | -21.2 | 0 | 0 | 116.7 | ||
| 973 | Y | 28.2 | Very low | 29.5 | Very low | 229 Ų | 229 | 167.7 Ų | 167.7 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -105.3 | -14.2 | 173.8 | -122.8 | -89.5 | 0 | 0 | 0 | 116 | ||
| 974 | D | 31.2 | Very low | 29.5 | Very low | 153 Ų | 153 | 166.8 Ų | 166.8 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -104.9 | -7.8 | -177.4 | -86 | -39.7 | 0 | 0 | 0 | 115.9 | N976 | D974-N976 PolarHBondContact O-N 2.9Š|
| 975 | N | 32 | Very low | 29.2 | Very low | 128 Ų | 128 | 167.9 Ų | 167.9 | 68% | 0.684 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -3.3 | -173.3 | -86.7 | -28.9 | 0 | 0 | 0 | 116.2 | ||
| 976 | N | 32.5 | Very low | 29.2 | Very low | 170 Ų | 170 | 168 Ų | 168 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 22.2 | -177.2 | -83.7 | -6.2 | 0 | 0 | 0 | 115.3 | D974 | D974-N976 PolarHBondContact O-N 2.9Š|
| 977 | K | 27.5 | Very low | 29.3 | Very low | 202 Ų | 202 | 166 Ų | 166 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -120.3 | 16.8 | 175.1 | -145.9 | 178.7 | -176.9 | 176.8 | 0 | 115.5 | ||
| 978 | R | 28.8 | Very low | 29 | Very low | 231 Ų | 231 | 166.4 Ų | 166.4 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -129.8 | -12.5 | -178.2 | -138.9 | 174.1 | -166.9 | 178.8 | 4.9 | 118.1 | ||
| 979 | N | 28.9 | Very low | 28.5 | Very low | 148 Ų | 148 | 165.7 Ų | 165.7 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -109 | 80.8 | 176.2 | -67.8 | -11.3 | 0 | 0 | 0 | 110.2 | ||
| 980 | D | 28.4 | Very low | 28.3 | Very low | 152 Ų | 152 | 168.7 Ų | 168.7 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | -177.4 | 55 | 147.6 | -94.1 | -18.9 | 0 | 0 | 0 | 112.8 | ||||
| 981 | I | 26.2 | Very low | 28 | Very low | 166 Ų | 166 | 164 Ų | 164 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -132.2 | 68.7 | 157.3 | -51.1 | 179 | 0 | 0 | 0 | 108.6 | ||
| 982 | K | 26.4 | Very low | 27.6 | Very low | 213 Ų | 213 | 162 Ų | 162 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -175.7 | 48.7 | 161.7 | -109.7 | 166.8 | -177.2 | -175.5 | 0 | 115.2 | ||
| 983 | A | 27.2 | Very low | 27.5 | Very low | 86 Ų | 86 | 161.5 Ų | 161.5 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | -146.2 | 25.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 984 | I | 26.5 | Very low | 27.3 | Very low | 171 Ų | 171 | 156.8 Ų | 156.8 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -134.2 | 80 | 170.7 | -50.2 | 178.9 | 0 | 0 | 0 | 110.8 | ||||
| 985 | K | 24.3 | Very low | 27 | Very low | 190 Ų | 190 | 157.5 Ų | 157.5 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -144.7 | 149.2 | 146.1 | -82.3 | -161.8 | 176 | -176.7 | 0 | 107.8 | ||||
| 986 | E | 29.1 | Very low | 26.7 | Very low | 170 Ų | 170 | 157 Ų | 157 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 67.3 | 84.2 | 169.7 | -64.8 | 160.8 | -145.2 | 0 | 0 | 116.6 | ||||
| 987 | T | 28.9 | Very low | 26.3 | Very low | 151 Ų | 151 | 156 Ų | 156 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | -156 | 143.6 | 102.4 | 5.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 988 | T | 23.6 | Very low | 26.1 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | trans | -117.6 | 156.6 | -166.8 | -28.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 989 | T | 23.7 | Very low | 25.9 | Very low | 112 Ų | 112 | 152 Ų | 152 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | trans | 76.4 | 112.5 | 155.5 | -45.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 990 | Y | 28 | Very low | 25.5 | Very low | 234 Ų | 234 | 152.2 Ų | 152.2 | 92% | 0.918 | 81% | 0.81 | S | S | * | * | trans | 161.3 | 131.7 | 138.3 | -93 | -71.1 | 0 | 0 | 0 | 106.2 | ||||
| 991 | G | 22.9 | Very low | 25.3 | Very low | 66 Ų | 66 | 153 Ų | 153 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | cis | 145.7 | 95.2 | -1.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 992 | S | 22.9 | Very low | 25.2 | Very low | 112 Ų | 112 | 152.3 Ų | 152.3 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 54 | 115.9 | 161.6 | -164.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 993 | Q | 29.6 | Very low | 25.1 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | 179.6 | 111.3 | 125.3 | -96 | 164.1 | 34.2 | 0 | 0 | 107.4 | |||||
| 994 | D | 24 | Very low | 24.9 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | 91.1 | 137.7 | 59.6 | -161.9 | 26.1 | 0 | 0 | 0 | 112.7 | |||||
| 995 | K | 25.4 | Very low | 24.8 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | 86.5 | 120.7 | 170.5 | -67.5 | 167.1 | -172.8 | 169.4 | 0 | 123 | ||||
| 996 | T | 26.6 | Very low | 24.6 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | 91.9 | 102.4 | 134.5 | 47.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 997 | N | 24.2 | Very low | 24.3 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | 60.7 | 95.6 | 127.1 | -61.3 | -12.3 | 0 | 0 | 0 | 119.7 | |||||
| 998 | C | 22.5 | Very low | 24.1 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 95% | 0.946 | 80% | 0.799 | S | S | * | * | -143.5 | 135.4 | 122.5 | -96.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 999 | K | 24.2 | Very low | 24.2 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -102.6 | 141.8 | -172.9 | -140 | 176.9 | -173.4 | 179.9 | 0 | 110.2 | ||||
| 1000 | L | 21.4 | Very low | 24.3 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -35.4 | 135.4 | 176.5 | -85.6 | 58.7 | 0 | 0 | 0 | 115.1 | ||||
| 1001 | I | 23.9 | Very low | 24.2 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -123 | 141 | 138.7 | -65.1 | -177.1 | 0 | 0 | 0 | 107.6 | ||||
| 1002 | N | 24.6 | Very low | 24.2 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 154.1 | -170.1 | -63.3 | -38.6 | 0 | 0 | 0 | 113.9 | ||||
| 1003 | G | 22.9 | Very low | 24.3 | Very low | 66 Ų | 66 | 149.8 Ų | 149.8 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | 141 | 112.6 | 132.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1004 | Q | 23.6 | Very low | 24.2 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | 80.3 | 113.5 | 146.7 | -63.7 | 179.9 | -13.3 | 0 | 0 | 120.2 | ||||
| 1005 | N | 24.3 | Very low | 24.1 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | 97.2 | 96.9 | 135.6 | -60.9 | -3.6 | 0 | 0 | 0 | 120.6 | ||||
| 1006 | C | 19.8 | Very low | 24.1 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 75% | 0.75 | 82% | 0.815 | S | S | * | * | 73.5 | 85.4 | 129.4 | -62.1 | 0 | 0 | 0 | 0 | 119.1 | K1008 | C1006-K1008 PolarHBondContact O-N 2.8Š| |||
| 1007 | P | 23.5 | Very low | 24.1 | Very low | 134 Ų | 134 | 151 Ų | 151 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | -71.4 | 122 | 159.3 | 30.2 | -31.8 | 0 | 0 | 0 | 111.4 | ||||
| 1008 | K | 24.1 | Very low | 24.1 | Very low | 215 Ų | 215 | 148.2 Ų | 148.2 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | trans | -71.2 | 137.7 | 158.4 | -63.2 | 172.5 | 177.4 | 176.6 | 0 | 108.3 | C1006 | C1006-K1008 PolarHBondContact O-N 2.8Š| ||
| 1009 | G | 25.5 | Very low | 24.1 | Very low | 70 Ų | 70 | 150.4 Ų | 150.4 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 164.8 | 63.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1010 | I | 26.7 | Very low | 24.3 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | 26.1 | 113.5 | 143.6 | -53.4 | 169.1 | 0 | 0 | 0 | 117.7 | ||||
| 1011 | L | 24.9 | Very low | 24.5 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -131.2 | 86.6 | 154.5 | -113.5 | 169.7 | 0 | 0 | 0 | 109.5 | ||||
| 1012 | L | 24.1 | Very low | 24.7 | Very low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -104.6 | 96.4 | 170.3 | -166.5 | 73.2 | 0 | 0 | 0 | 108.6 | ||||
| 1013 | K | 23.4 | Very low | 24.5 | Very low | 170 Ų | 170 | 149 Ų | 149 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | trans | -130.3 | 130 | 169.3 | -88.7 | -174.1 | 174.2 | -179.8 | 0 | 108.8 | ||||
| 1014 | N | 28.2 | Very low | 24.7 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 135 | 91.3 | 163.7 | -70.9 | -11.3 | 0 | 0 | 0 | 108.1 | ||||
| 1015 | L | 22.9 | Very low | 24.8 | Very low | 152 Ų | 152 | 154.2 Ų | 154.2 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | 89.9 | 85.2 | 85.2 | -94.3 | 156.9 | 0 | 0 | 0 | 110.8 | L1017 | L1015-L1017 PolarHBondContact O-N 3.4Š| |||
| 1016 | I | 25 | Very low | 24.8 | Very low | 167 Ų | 167 | 156.8 Ų | 156.8 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 120.4 | 162.3 | -63.7 | 166.4 | 0 | 0 | 0 | 107.1 | ||
| 1017 | L | 26.2 | Very low | 25 | Very low | 158 Ų | 158 | 157.6 Ų | 157.6 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 116.9 | 170.6 | -107.4 | 153.4 | 0 | 0 | 0 | 109.5 | L1015 | L1015-L1017 PolarHBondContact O-N 3.4Š|
| 1018 | S | 23.7 | Very low | 25 | Very low | 90 Ų | 90 | 157.5 Ų | 157.5 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 133.2 | 162.7 | 42 | 0 | 0 | 0 | 0 | 110 | ||
| 1019 | K | 23.3 | Very low | 25 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | 67.4 | 66.5 | 64.3 | -158.9 | -171.4 | -172.2 | -175.5 | 0 | 112.5 | |||||
| 1020 | D | 27.9 | Very low | 25.1 | Very low | 167 Ų | 167 | 156.5 Ų | 156.5 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -83.9 | 122.4 | 161.3 | -85.1 | -40.3 | 0 | 0 | 0 | 110.8 | ||||
| 1021 | T | 25.3 | Very low | 24.9 | Very low | 110 Ų | 110 | 157.7 Ų | 157.7 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | trans | -89.4 | 130.8 | 166.8 | 44 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1022 | N | 27.8 | Very low | 25.2 | Very low | 161 Ų | 161 | 158 Ų | 158 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -151.6 | 109.3 | 149.4 | -98.5 | -38.9 | 0 | 0 | 0 | 111.5 | ||||
| 1023 | Y | 21.2 | Very low | 25 | Very low | 212 Ų | 212 | 158.6 Ų | 158.6 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -64.4 | 140.2 | 156 | -94.3 | -111.1 | 0 | 0 | 0 | 108.6 | ||||
| 1024 | H | 27.9 | Very low | 25.2 | Very low | 186 Ų | 186 | 159.4 Ų | 159.4 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -161 | 121 | 137.4 | -105.3 | -66.8 | 0 | 0 | 0 | 111 | Q1026 | H1024-Q1026 PolarHBondContact O-N 3.1Š| ||
| 1025 | H | 24.7 | Very low | 24.9 | Very low | 173 Ų | 173 | 157.9 Ų | 157.9 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -65.5 | 128.1 | 167.4 | -99 | -80.5 | 0 | 0 | 0 | 110.1 | ||||
| 1026 | Q | 24.9 | Very low | 24.9 | Very low | 191 Ų | 191 | 156.7 Ų | 156.7 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -89.9 | 125.6 | 152.4 | -75.3 | -176.5 | -18.8 | 0 | 0 | 108.6 | H1024 | H1024-Q1026 PolarHBondContact O-N 3.1Š| ||
| 1027 | N | 23.3 | Very low | 24.8 | Very low | 129 Ų | 129 | 158.5 Ų | 158.5 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | trans | -159.6 | 96.2 | 157.5 | -158.1 | 7.9 | 0 | 0 | 0 | 112.5 | ||||
| 1028 | N | 25.2 | Very low | 24.7 | Very low | 132 Ų | 132 | 157.5 Ų | 157.5 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | 169.8 | 114.1 | 123.7 | -99.1 | -47.9 | 0 | 0 | 0 | 113.4 | |||||
| 1029 | N | 24.2 | Very low | 24.7 | Very low | 127 Ų | 127 | 157.8 Ų | 157.8 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | 19.6 | 116.6 | 129.1 | -57.9 | -54.2 | 0 | 0 | 0 | 119 | |||||
| 1030 | N | 26.5 | Very low | 24.8 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | -171 | 132.9 | 91.3 | -104.3 | -51.2 | 0 | 0 | 0 | 115.3 | |||||
| 1031 | K | 22.9 | Very low | 24.7 | Very low | 187 Ų | 187 | 154 Ų | 154 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 5.8 | 122.2 | 148.3 | -62.5 | 165.7 | -179.5 | 170.2 | 0 | 117.8 | ||||
| 1032 | N | 30 | Very low | 24.8 | Very low | 167 Ų | 167 | 155 Ų | 155 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -143.1 | 148.1 | 132.1 | -111.1 | -30.5 | 0 | 0 | 0 | 112.2 | ||||
| 1033 | K | 21.3 | Very low | 24.8 | Very low | 180 Ų | 180 | 153 Ų | 153 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -74.2 | 147.4 | -177.6 | -57.1 | 161.2 | 179.9 | 172.8 | 0 | 109.5 | ||||
| 1034 | H | 27.8 | Very low | 25.1 | Very low | 186 Ų | 186 | 148.8 Ų | 148.8 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | -169.6 | 144.7 | 113.3 | -107.4 | -79.8 | 0 | 0 | 0 | 111.8 | |||||
| 1035 | T | 21.5 | Very low | 25 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | trans | -101.3 | 171.8 | -174.2 | -32.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1036 | I | 22.3 | Very low | 25.1 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 65% | 0.651 | 74% | 0.738 | S | S | * | * | trans | 107.6 | 128.1 | 145.1 | -67 | 147.6 | 0 | 0 | 0 | 119.7 | ||||
| 1037 | Y | 23 | Very low | 25.2 | Very low | 206 Ų | 206 | 142.1 Ų | 142.1 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | trans | 65.6 | 159.3 | 154.5 | -71.1 | -26.9 | 0 | 0 | 0 | 121.7 | ||||
| 1038 | N | 24.1 | Very low | 25.1 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | cis | -179.9 | 167.6 | -36.2 | -135 | 23.4 | 0 | 0 | 0 | 107.9 | ||||
| 1039 | S | 22.9 | Very low | 25.1 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | 67.2 | 112.8 | 156.8 | -141.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1040 | D | 26.8 | Very low | 25 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | 79.7 | 142 | 63.5 | -64.3 | -43.9 | 0 | 0 | 0 | 115.1 | |||||
| 1041 | D | 26.2 | Very low | 25 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 59.7 | 125.8 | 165.1 | -53.1 | -35.1 | 0 | 0 | 0 | 118.5 | ||||
| 1042 | N | 27 | Very low | 25.2 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | 179.6 | 152.1 | 69 | -108 | -60.8 | 0 | 0 | 0 | 114.3 | |||||
| 1043 | N | 26.6 | Very low | 24.9 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | trans | 72.1 | 116.2 | 135.7 | -73.4 | -26.5 | 0 | 0 | 0 | 124.8 | ||||
| 1044 | N | 27.5 | Very low | 25.2 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | 104.5 | 122.1 | 112 | -75 | -14.2 | 0 | 0 | 0 | 123.2 | |||||
| 1045 | N | 25.8 | Very low | 25.1 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | 95.9 | 110.3 | 130.4 | -71.9 | -12.4 | 0 | 0 | 0 | 122.8 | ||||
| 1046 | S | 26.8 | Very low | 25.3 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | 71.3 | 116.1 | 128.4 | 73.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1047 | Q | 27.2 | Very low | 25.5 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | 176.2 | 139 | 95.5 | -92.9 | 177.5 | -11 | 0 | 0 | 113.4 | |||||
| 1048 | C | 21.9 | Very low | 25.5 | Very low | 102 Ų | 102 | 134 Ų | 134 | 69% | 0.689 | 75% | 0.749 | S | S | * | * | trans | 49.1 | 111.5 | 147.8 | -60.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1049 | I | 23.9 | Very low | 25.6 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | 69.9 | 96.2 | 90.6 | -66.7 | 163.4 | 0 | 0 | 0 | 111.8 | |||||
| 1050 | S | 23.5 | Very low | 25.6 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 92.8 | 110.5 | 53.5 | 76.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1051 | H | 26.5 | Very low | 25.5 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | trans | -134.1 | 115.6 | 154.6 | -110.4 | -84.5 | 0 | 0 | 0 | 110.2 | ||||
| 1052 | I | 25.9 | Very low | 25.5 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 53.7 | 98.8 | 150.2 | -52 | 173.9 | 0 | 0 | 0 | 117.6 | ||||
| 1053 | K | 23.5 | Very low | 25.2 | Very low | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -83.6 | 151.2 | 149.8 | -71.4 | 179.9 | 169.8 | -170 | 0 | 110.2 | ||||
| 1054 | S | 28.5 | Very low | 25.3 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -155.6 | 119.4 | 143.5 | 54.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1055 | E | 26.5 | Very low | 25 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -80.7 | 158.5 | -173.5 | -76.6 | 158.1 | 126.5 | 0 | 0 | 113.5 | ||||
| 1056 | P | 25.3 | Very low | 25 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -74.3 | 125.5 | 170.2 | 31.3 | -33.1 | 0 | 0 | 0 | 110.8 | ||||
| 1057 | S | 26.9 | Very low | 24.8 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -115.3 | 125.9 | 169.5 | 52.1 | 0 | 0 | 0 | 0 | 110.6 | P1059 | S1057-P1059 WeakPolarHBondContact O-CD 3.47Š| ||
| 1058 | T | 22.4 | Very low | 24.7 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -87.6 | 124.7 | 176.1 | 35.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1059 | P | 27.1 | Very low | 24.7 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -107 | 102.7 | 165.8 | 27 | -10.9 | 0 | 0 | 0 | 110.4 | S1057 I1061 | S1057-P1059 WeakPolarHBondContact O-CD 3.47Å; P1059-I1061 PolarHBondContact O-N 2.91Å | ||
| 1060 | N | 21.6 | Very low | 24.7 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -65.2 | 118.2 | 153.1 | -83.8 | -41.3 | 0 | 0 | 0 | 107.8 | ||||
| 1061 | I | 24.7 | Very low | 24.8 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | -165.6 | 124.9 | 155 | -107 | 146.5 | 0 | 0 | 0 | 112.4 | P1059 | P1059-I1061 PolarHBondContact O-N 2.91Š| ||
| 1062 | F | 25.4 | Very low | 24.6 | Very low | 186 Ų | 186 | 150 Ų | 150 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | 70.9 | 124.7 | 156.7 | -79.2 | -105.3 | 0 | 0 | 0 | 123.4 | ||||
| 1063 | M | 21.3 | Very low | 24.4 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 84% | 0.837 | 78% | 0.778 | S | S | * | * | trans | -52.9 | 139.6 | 159 | -61.4 | 174.3 | 165.5 | 0 | 0 | 112.6 | ||||
| 1064 | H | 28.6 | Very low | 24.6 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -122 | 99 | 146.7 | -94.2 | -79.6 | 0 | 0 | 0 | 110 | V1066 | H1064-V1066 HydrophobicContact CB-CG2 4.26Å; H1064-V1066 PolarHBondContact O-N 3.48Å | ||
| 1065 | N | 21.7 | Very low | 24.4 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -82.5 | 91.1 | 174.5 | -160.8 | 8.2 | 0 | 0 | 0 | 108 | ||||
| 1066 | V | 25.8 | Very low | 24.3 | Very low | 98 Ų | 98 | 145 Ų | 145 | 59% | 0.594 | 79% | 0.788 | S | S | * | * | trans | -105 | 85.9 | -178.8 | -173.8 | 0 | 0 | 0 | 0 | 110 | H1064 F1068 | H1064-V1066 HydrophobicContact CB-CG2 4.26Å; H1064-V1066 PolarHBondContact O-N 3.48Å; V1066-F1068 HydrophobicContact CG1-CD2 3.61Å; V1066-F1068 HydrophobicContact CG1-CE2 3.81Å; V1066-F1068 PolarHBondContact O-N 3.08Å | ||
| 1067 | T | 22 | Very low | 24.2 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | trans | -79.6 | 98.3 | 165.1 | 30.9 | 0 | 0 | 0 | 0 | 109.9 | N1069 | T1067-N1069 PolarHBondContact O-N 3.12Š| ||
| 1068 | F | 25.1 | Very low | 24.2 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -78.6 | 108.1 | 164.6 | -101.3 | -77.1 | 0 | 0 | 0 | 110 | V1066 | V1066-F1068 HydrophobicContact CG1-CD2 3.61Å; V1066-F1068 HydrophobicContact CG1-CE2 3.81Å; V1066-F1068 PolarHBondContact O-N 3.08Å | ||
| 1069 | N | 23.3 | Very low | 24.3 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 148.7 | 175.1 | -81.3 | -45.1 | 0 | 0 | 0 | 111.6 | T1067 Y1071 | T1067-N1069 PolarHBondContact O-N 3.12Å; N1069-Y1071 PolarHBondContact O-N 3.38Å |
| 1070 | S | 22.4 | Very low | 24.3 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 124.3 | 168 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1071 | Y | 25.7 | Very low | 24.4 | Very low | 229 Ų | 229 | 140.6 Ų | 140.6 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 127.9 | 157.7 | -93.3 | -86.8 | 0 | 0 | 0 | 110 | N1069 | N1069-Y1071 PolarHBondContact O-N 3.38Š|
| 1072 | Y | 23.3 | Very low | 24.4 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 156.1 | 173.1 | -99.4 | -104.4 | 0 | 0 | 0 | 111.3 | ||
| 1073 | S | 21.9 | Very low | 24.5 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | 64 | 112.5 | 147.9 | 177.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1074 | T | 28.1 | Very low | 24.8 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | -158.4 | 134.6 | 104.7 | 11.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1075 | T | 23.5 | Very low | 24.7 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -69.2 | 130.3 | 169.9 | 44.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1076 | C | 24.4 | Very low | 24.7 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 91% | 0.905 | 77% | 0.766 | S | S | * | * | trans | -122.5 | 98.6 | 160.2 | -147.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1077 | S | 23.2 | Very low | 24.6 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -102.4 | 113.2 | 177.2 | 52.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1078 | S | 26.9 | Very low | 24.6 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -143.1 | 106.5 | 164.8 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1079 | P | 25.6 | Very low | 24.6 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -84.5 | 113.6 | 175 | 31.7 | -30 | 0 | 0 | 0 | 110.4 | ||||
| 1080 | C | 26.1 | Very low | 24.5 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -91.6 | 110.6 | 164 | -75.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1081 | C | 23.3 | Very low | 24.5 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -71.5 | 147.4 | -179.8 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1082 | S | 25.7 | Very low | 24.3 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -67.3 | 148.1 | 158.1 | -45.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1083 | P | 26.9 | Very low | 24.2 | Very low | 115 Ų | 115 | 122 Ų | 122 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -128.8 | 115.7 | 147.9 | 32 | -18 | 0 | 0 | 0 | 111.5 | ||||
| 1084 | S | 28 | Very low | 24.3 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -79.5 | 134.4 | 158.4 | -49 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1085 | P | 26.4 | Very low | 24.1 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | -143.7 | 115.7 | 139.2 | 36.3 | -20.3 | 0 | 0 | 0 | 111.8 | ||||
| 1086 | T | 21.4 | Very low | 24.1 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | 95.5 | 124.6 | 94 | 52.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1087 | I | 22.8 | Very low | 23.9 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | 66.1 | 123.1 | 134.4 | -55.8 | 163.2 | 0 | 0 | 0 | 117.8 | ||||
| 1088 | V | 22.5 | Very low | 23.9 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | -168.5 | 132.9 | 111.1 | 149.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1089 | N | 24.8 | Very low | 23.6 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -74.8 | 148.9 | 174 | -66.1 | -36.5 | 0 | 0 | 0 | 111.2 | ||||
| 1090 | G | 22.7 | Very low | 23.4 | Very low | 63 Ų | 63 | 128 Ų | 128 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | trans | -154.8 | 105.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1091 | Y | 21.7 | Very low | 23.3 | Very low | 216 Ų | 216 | 126.9 Ų | 126.9 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | 35.7 | 112.6 | 139.2 | -69.1 | -82.8 | 0 | 0 | 0 | 118.6 | ||||
| 1092 | S | 21.7 | Very low | 23.3 | Very low | 87 Ų | 87 | 127 Ų | 127 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | 106.7 | 148.1 | 51.2 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1093 | S | 21.6 | Very low | 23.2 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | 65 | 152.8 | 169.8 | 81.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1094 | S | 23 | Very low | 22.9 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | cis | -169.5 | 177.7 | -18.5 | 46.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1095 | Q | 24.2 | Very low | 22.7 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | 71.5 | 144.6 | 172.2 | -52.6 | 174.5 | -27.9 | 0 | 0 | 114.5 | ||||
| 1096 | D | 22.9 | Very low | 22.5 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | cis | -147.6 | 163.2 | -23.1 | -123.9 | -45 | 0 | 0 | 0 | 112.2 | ||||
| 1097 | K | 20.9 | Very low | 22.6 | Very low | 173 Ų | 173 | 131 Ų | 131 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | -46 | 140.4 | 164.7 | -57.2 | 144.5 | 176 | 171 | 0 | 111 | ||||
| 1098 | T | 22.4 | Very low | 22.6 | Very low | 123 Ų | 123 | 131 Ų | 131 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | 180 | 105.3 | 92.7 | 35.5 | 0 | 0 | 0 | 0 | 110.9 | I1100 | T1098-I1100 PolarHBondContact O-N 2.92Š| |||
| 1099 | T | 20.8 | Very low | 22.6 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | -70.8 | 108.3 | 157.7 | -44.5 | 0 | 0 | 0 | 0 | 107.8 | T1101 | T1099-T1101 WeakPolarHBondContact CG2-OG1 3.2Š| ||
| 1100 | I | 22.6 | Very low | 22.5 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | -84.4 | 119.3 | 162.2 | -68.1 | 179.7 | 0 | 0 | 0 | 107.2 | T1098 | T1098-I1100 PolarHBondContact O-N 2.92Š| ||
| 1101 | T | 23.1 | Very low | 22.4 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | trans | -126.1 | 114.5 | 171.7 | -44.7 | 0 | 0 | 0 | 0 | 108.1 | T1099 V1103 | T1099-T1101 WeakPolarHBondContact CG2-OG1 3.2Å; T1101-V1103 HydrophobicContact CG2-CG2 4.02Å | ||
| 1102 | T | 23.3 | Very low | 22.5 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | -145.4 | 106.8 | 173.9 | -23.1 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 1103 | V | 24 | Very low | 22.4 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | cis | 63.7 | 95.1 | 36.8 | -165.8 | 0 | 0 | 0 | 0 | 112.9 | T1101 | T1101-V1103 HydrophobicContact CG2-CG2 4.02Š| ||
| 1104 | L | 20.5 | Very low | 22.5 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 159.3 | 111 | 146.7 | -85.6 | 156 | 0 | 0 | 0 | 105.7 | ||||
| 1105 | T | 23.4 | Very low | 22.5 | Very low | 119 Ų | 119 | 139 Ų | 139 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | 58.1 | 146 | 66.1 | -22.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1106 | M | 22.1 | Very low | 22.5 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | 89.9 | 138.2 | -169.4 | -57.8 | -171.1 | -78.1 | 0 | 0 | 113.9 | ||||
| 1107 | N | 23.4 | Very low | 22.6 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | cis | -150.7 | 143 | 0 | -124.9 | -19.3 | 0 | 0 | 0 | 113.2 | ||||
| 1108 | N | 22.2 | Very low | 22.7 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -46.2 | 144 | 146.4 | -78 | -45.9 | 0 | 0 | 0 | 111.7 | ||||
| 1109 | K | 23.5 | Very low | 22.7 | Very low | 184 Ų | 184 | 147 Ų | 147 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | -176.7 | 127.9 | 118.7 | -102.8 | 172 | -177.8 | -177 | 0 | 113.7 | |||||
| 1110 | H | 22.1 | Very low | 22.9 | Very low | 159 Ų | 159 | 150.7 Ų | 150.7 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 62.1 | 126 | 140.8 | -81.7 | -113.1 | 0 | 0 | 0 | 118.6 | ||||
| 1111 | M | 20.5 | Very low | 23 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | 54.4 | 124.1 | 77.1 | -60.4 | -82.3 | -165.3 | 0 | 0 | 111 | |||||
| 1112 | N | 24 | Very low | 23 | Very low | 139 Ų | 139 | 155.8 Ų | 155.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | cis | -155.5 | 155.2 | 38.5 | -119 | -19.1 | 0 | 0 | 0 | 113.4 | ||||
| 1113 | S | 20.4 | Very low | 22.9 | Very low | 94 Ų | 94 | 159.2 Ų | 159.2 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | 38.1 | 104.9 | 140.9 | -150 | 0 | 0 | 0 | 0 | 118.8 | E1115 | S1113-E1115 PolarHBondContact O-N 2.72Š| ||
| 1114 | V | 24 | Very low | 22.9 | Very low | 140 Ų | 140 | 160.6 Ų | 160.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -56.4 | 126.1 | 146.9 | 172.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1115 | E | 23.1 | Very low | 23.1 | Very low | 161 Ų | 161 | 162.1 Ų | 162.1 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -153.5 | 147.9 | 152.6 | -159.1 | 93.6 | -117.9 | 0 | 0 | 107.9 | S1113 | S1113-E1115 PolarHBondContact O-N 2.72Š| ||
| 1116 | Q | 22.7 | Very low | 23.2 | Very low | 173 Ų | 173 | 163.6 Ų | 163.6 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | 73.5 | 52.5 | 171.1 | -51.2 | -169.5 | -5.8 | 0 | 0 | 118.2 | R1118 | Q1116-R1118 PolarHBondContact O-N 3.27Å; Q1116-R1118 VanDerWaalsContact O-N 3.08Å | ||
| 1117 | Q | 24.7 | Very low | 23.5 | Very low | 194 Ų | 194 | 163.5 Ų | 163.5 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | -62.7 | 94 | 128.1 | -84 | -169.3 | -17.3 | 0 | 0 | 109.4 | |||||
| 1118 | R | 23.7 | Very low | 23.5 | Very low | 227 Ų | 227 | 163 Ų | 163 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | 168 | 91.2 | 148.2 | -98.6 | 172.8 | 177.5 | -178.9 | 0.2 | 109.8 | Q1116 | Q1116-R1118 PolarHBondContact O-N 3.27Å; Q1116-R1118 VanDerWaalsContact O-N 3.08Å | ||
| 1119 | N | 23.5 | Very low | 23.5 | Very low | 160 Ų | 160 | 163.8 Ų | 163.8 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -173.9 | 58.7 | 146.8 | -94.9 | -24.9 | 0 | 0 | 0 | 111 | ||
| 1120 | K | 24.6 | Very low | 23.7 | Very low | 211 Ų | 211 | 164.7 Ų | 164.7 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -149.4 | 49.3 | 159.8 | -117.5 | 174.6 | -173.7 | -174.9 | 0 | 112.4 | ||||
| 1121 | L | 23.5 | Very low | 23.6 | Very low | 170 Ų | 170 | 165.3 Ų | 165.3 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -124.4 | 72.6 | 152.8 | -174.1 | 74.4 | 0 | 0 | 0 | 106.6 | ||||
| 1122 | K | 23.3 | Very low | 23.7 | Very low | 188 Ų | 188 | 163.8 Ų | 163.8 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -172.2 | 52.4 | 172.1 | -109.5 | 170.2 | -170.9 | -172.1 | 0 | 113.1 | ||||
| 1123 | Q | 22.6 | Very low | 23.7 | Very low | 189 Ų | 189 | 164.2 Ų | 164.2 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | -121.6 | 102.2 | 128.8 | -78.6 | 178.6 | -42.5 | 0 | 0 | 102.3 | |||||
| 1124 | L | 23.5 | Very low | 23.8 | Very low | 135 Ų | 135 | 166 Ų | 166 | 71% | 0.707 | 80% | 0.804 | S | S | * | * | 44.9 | 87.9 | 79.2 | -71.6 | 162.6 | 0 | 0 | 0 | 108.6 | |||||
| 1125 | E | 23.6 | Very low | 23.7 | Very low | 173 Ų | 173 | 168.4 Ų | 168.4 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | 52.2 | 95.6 | 70.3 | -160.7 | 174.3 | -146.7 | 0 | 0 | 109.1 | |||||
| 1126 | N | 26.4 | Very low | 23.7 | Very low | 150 Ų | 150 | 168.9 Ų | 168.9 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -149.7 | 137.2 | 162.7 | -101.8 | -5.1 | 0 | 0 | 0 | 107.5 | ||||
| 1127 | D | 28 | Very low | 23.8 | Very low | 152 Ų | 152 | 170 Ų | 170 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | 86.5 | 70.7 | 172.4 | -55.7 | -2.6 | 0 | 0 | 0 | 114.3 | ||||
| 1128 | D | 23.4 | Very low | 23.8 | Very low | 125 Ų | 125 | 168.4 Ų | 168.4 | 67% | 0.668 | 81% | 0.814 | S | S | * | * | 88.6 | 138.2 | 50.8 | -153.9 | 17.6 | 0 | 0 | 0 | 113.9 | |||||
| 1129 | K | 23.3 | Very low | 23.8 | Very low | 164 Ų | 164 | 165.9 Ų | 165.9 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | 67.8 | 101.3 | 165.3 | -63.6 | 166.6 | -180 | 102 | 0 | 121.1 | ||||
| 1130 | K | 25.9 | Very low | 24.1 | Very low | 202 Ų | 202 | 165.1 Ų | 165.1 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | 172.8 | 96.3 | 111.5 | -92.6 | 168.6 | -178 | -179.5 | 0 | 108.9 | |||||
| 1131 | E | 20.8 | Very low | 24.4 | Very low | 173 Ų | 173 | 159.4 Ų | 159.4 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | 54.7 | 114.5 | 83 | -77.6 | -159.1 | 131.1 | 0 | 0 | 116.3 | |||||
| 1132 | V | 21.7 | Very low | 24.7 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | 68.4 | 105.9 | 131.8 | -176.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1133 | I | 25 | Very low | 25.1 | Very low | 148 Ų | 148 | 153.7 Ų | 153.7 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | -171 | 113 | 107.4 | -89 | 163.8 | 0 | 0 | 0 | 110.6 | |||||
| 1134 | I | 22.4 | Very low | 25.7 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 67% | 0.672 | 76% | 0.764 | S | S | * | * | trans | 49.1 | 116.4 | 138.7 | -50.8 | 176.8 | 0 | 0 | 0 | 119.8 | Q1136 | I1134-Q1136 HydrophobicContact CG2-CB 4.22Å; I1134-Q1136 PolarHBondContact O-N 3.29Å | ||
| 1135 | M | 21.6 | Very low | 26.3 | Very low | 192 Ų | 192 | 149.3 Ų | 149.3 | 95% | 0.946 | 76% | 0.757 | S | S | * | * | trans | -66.9 | 117.1 | 158.1 | -55.4 | -178.2 | -64.8 | 0 | 0 | 110.7 | ||||
| 1136 | Q | 23.3 | Very low | 26.9 | Very low | 171 Ų | 171 | 146 Ų | 146 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -156.6 | 50.7 | 166.6 | -150.5 | 165.9 | 0.7 | 0 | 0 | 116.3 | I1134 | I1134-Q1136 HydrophobicContact CG2-CB 4.22Å; I1134-Q1136 PolarHBondContact O-N 3.29Å | ||
| 1137 | E | 24.5 | Very low | 27.3 | Very low | 197 Ų | 197 | 148.4 Ų | 148.4 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | -149.9 | 32.7 | 166.2 | -125.4 | 163.8 | -139.2 | 0 | 0 | 115.5 | ||||
| 1138 | N | 24.3 | Very low | 27.7 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | trans | -112 | 63.2 | 172.9 | -103.1 | -11 | 0 | 0 | 0 | 111.6 | ||||
| 1139 | M | 25.1 | Very low | 28.5 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 86% | 0.862 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -138.6 | 8.1 | 174.9 | -96.5 | -165.7 | 175.6 | 0 | 0 | 116.6 | ||
| 1140 | I | 28.9 | Very low | 29.2 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -112.5 | -25.4 | 179 | -59.1 | -178.1 | 0 | 0 | 0 | 113.1 | S1142 | I1140-S1142 VanDerWaalsContact C-N 3.32Å; I1140-S1142 PolarHBondContact O-N 3.06Å |
| 1141 | S | 30.8 | Very low | 29.9 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -16 | -178.9 | -53 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1142 | S | 30.2 | Very low | 30.8 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 58% | 0.58 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -79.5 | -21.6 | -180 | -157.3 | 0 | 0 | 0 | 0 | 114 | I1140 | I1140-S1142 VanDerWaalsContact C-N 3.32Å; I1140-S1142 PolarHBondContact O-N 3.06Å |
| 1143 | Q | 32.4 | Very low | 31.7 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 72% | 0.724 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -82.2 | -10.8 | -176.7 | -73.1 | -170.7 | -8.5 | 0 | 0 | 114.5 | ||
| 1144 | I | 34.9 | Very low | 32.5 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -83.8 | -28.8 | 175.5 | -62 | 179.7 | 0 | 0 | 0 | 111.1 | Q1148 | I1144-Q1148 PolarHBondContact O-N 2.98Å |
| 1145 | I | 36.5 | Very low | 33.4 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 56% | 0.559 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.7 | -44.7 | -178.9 | -61.2 | -179.5 | 0 | 0 | 0 | 111 | R1147 Q1148 L1149 | I1145-R1147 PolarHBondContact O-N 3.42Å; I1145-Q1148 PolarHBondContact O-N 2.76Å; I1145-Q1148 VanDerWaalsContact O-N 3.12Å; I1145-L1149 PolarHBondContact O-N 3.46Å |
| 1146 | D | 36.5 | Very low | 34.3 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 55% | 0.551 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.3 | -26.2 | -179.7 | -69.1 | -27.2 | 0 | 0 | 0 | 113.5 | N1150 | D1146-N1150 PolarHBondContact O-N 2.86Å |
| 1147 | R | 33 | Very low | 35.1 | Very low | 201 Ų | 201 | 131.7 Ų | 131.7 | 76% | 0.758 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82.5 | -20.6 | 176.3 | -146.2 | 176.1 | -170.2 | 178.9 | 4.5 | 113.8 | I1145 | I1145-R1147 PolarHBondContact O-N 3.42Å |
| 1148 | Q | 37.3 | Very low | 36.1 | Very low | 134 Ų | 134 | 127 Ų | 127 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.4 | -42.7 | 166.1 | -74.6 | -79.9 | -66.4 | 0 | 0 | 110.4 | I1144 I1145 N1150 N1151 Q1152 | I1144-Q1148 PolarHBondContact O-N 2.98Å; I1145-Q1148 PolarHBondContact O-N 2.76Å; I1145-Q1148 VanDerWaalsContact O-N 3.12Å; Q1148-N1150 VanDerWaalsContact C-N 3.33Å; Q1148-N1150 PolarHBondContact O-N 3.07Å; Q1148-N1151 PolarHBondContact O-N 3.49Å; Q1148-Q1152 PolarHBondContact O-N 2.76Å |
| 1149 | L | 40 | Very low | 36.6 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 55% | 0.55 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61 | -39.4 | -178.5 | -140.7 | 76.3 | 0 | 0 | 0 | 112.8 | I1145 N1151 Q1152 H1153 | I1145-L1149 PolarHBondContact O-N 3.46Å; L1149-N1151 PolarHBondContact O-N 3.42Å; L1149-Q1152 PolarHBondContact O-N 3.18Å; L1149-H1153 PolarHBondContact O-N 2.86Å |
| 1150 | N | 38.9 | Very low | 37.6 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.1 | -24.2 | -177.4 | -127.9 | 7.4 | 0 | 0 | 0 | 114.2 | D1146 Q1148 | D1146-N1150 PolarHBondContact O-N 2.86Å; Q1148-N1150 VanDerWaalsContact C-N 3.33Å; Q1148-N1150 PolarHBondContact O-N 3.07Å |
| 1151 | N | 39.9 | Very low | 38.2 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -80 | -25.8 | 173 | -79.6 | 3.6 | 0 | 0 | 0 | 112.4 | Q1148 L1149 S1155 | Q1148-N1151 PolarHBondContact O-N 3.49Å; L1149-N1151 PolarHBondContact O-N 3.42Å; N1151-S1155 PolarHBondContact O-N 3.29Å |
| 1152 | Q | 39.5 | Very low | 38.6 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.1 | -35.5 | 177.5 | -157.1 | 147.1 | 5.2 | 0 | 0 | 111.4 | Q1148 L1149 E1154 S1155 D1156 | Q1148-Q1152 PolarHBondContact O-N 2.76Å; L1149-Q1152 PolarHBondContact O-N 3.18Å; Q1152-E1154 VanDerWaalsContact C-N 3.28Å; Q1152-E1154 PolarHBondContact O-N 2.9Å; Q1152-S1155 PolarHBondContact O-N 3.41Å; Q1152-D1156 PolarHBondContact O-N 3.2Å; Q1152-D1156 VanDerWaalsContact O-N 3.15Å |
| 1153 | H | 41.8 | Very low | 38.9 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 63% | 0.63 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.7 | -27.2 | 174.4 | -113.6 | -54.8 | 0 | 0 | 0 | 114.4 | L1149 R1157 | L1149-H1153 PolarHBondContact O-N 2.86Å; H1153-R1157 PolarHBondContact O-N 3.18Å |
| 1154 | E | 41 | Very low | 39.1 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 62% | 0.617 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -80.8 | -31.4 | 174.7 | -168.3 | 151.7 | -140.9 | 0 | 0 | 112.4 | Q1152 R1157 I1158 | Q1152-E1154 VanDerWaalsContact C-N 3.28Å; Q1152-E1154 PolarHBondContact O-N 2.9Å; E1154-R1157 PolarHBondContact O-N 3.38Å; E1154-I1158 WeakPolarHBondContact O-CG1 3.4Å; E1154-I1158 PolarHBondContact O-N 2.86Å; E1154-I1158 VanDerWaalsContact O-N 3.1Å |
| 1155 | S | 40.9 | Very low | 39.3 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 49% | 0.49 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.2 | -44.8 | 172.2 | -161.7 | 0 | 0 | 0 | 0 | 111.8 | N1151 Q1152 R1157 I1158 K1159 | N1151-S1155 PolarHBondContact O-N 3.29Å; Q1152-S1155 PolarHBondContact O-N 3.41Å; S1155-R1157 VanDerWaalsContact C-N 3.31Å; S1155-R1157 PolarHBondContact O-N 3.28Å; S1155-I1158 PolarHBondContact O-N 3.46Å; S1155-I1158 VanDerWaalsContact O-N 3.17Å; S1155-K1159 PolarHBondContact O-N 2.91Å |
| 1156 | D | 41.4 | Very low | 39.4 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 43% | 0.433 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.7 | -31.1 | 176.9 | -74.1 | -28.1 | 0 | 0 | 0 | 112.4 | Q1152 I1158 K1159 V1160 | Q1152-D1156 PolarHBondContact O-N 3.2Å; Q1152-D1156 VanDerWaalsContact O-N 3.15Å; D1156-I1158 VanDerWaalsContact C-N 3.3Å; D1156-I1158 PolarHBondContact O-N 3.39Å; D1156-K1159 PolarHBondContact O-N 2.89Å; D1156-V1160 WeakPolarHBondContact O-CG2 3.43Å; D1156-V1160 PolarHBondContact O-N 2.87Å |
| 1157 | R | 39.3 | Very low | 39.7 | Very low | 202 Ų | 202 | 130 Ų | 130 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.3 | -25.5 | 174.2 | -140.2 | 177.2 | -172.1 | -158.9 | 2.8 | 113.3 | H1153 E1154 S1155 | H1153-R1157 PolarHBondContact O-N 3.18Å; E1154-R1157 PolarHBondContact O-N 3.38Å; S1155-R1157 VanDerWaalsContact C-N 3.31Å; S1155-R1157 PolarHBondContact O-N 3.28Å |
| 1158 | I | 45.3 | Very low | 40.1 | Very low | 100 Ų | 100 | 124 Ų | 124 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -79.8 | -39.5 | 170.6 | -67.5 | 167.8 | 0 | 0 | 0 | 110.7 | E1154 S1155 D1156 V1160 K1161 H1162 | E1154-I1158 WeakPolarHBondContact O-CG1 3.4Å; E1154-I1158 PolarHBondContact O-N 2.86Å; E1154-I1158 VanDerWaalsContact O-N 3.1Å; S1155-I1158 PolarHBondContact O-N 3.46Å; S1155-I1158 VanDerWaalsContact O-N 3.17Å; D1156-I1158 VanDerWaalsContact C-N 3.3Å; D1156-I1158 PolarHBondContact O-N 3.39Å; I1158-V1160 PolarHBondContact O-N 3.42Å; I1158-K1161 PolarHBondContact O-N 3.28Å; I1158-K1161 VanDerWaalsContact O-N 3.09Å; I1158-H1162 PolarHBondContact O-N 3.34Å; I1158-H1162 VanDerWaalsContact O-N 3.08Å |
| 1159 | K | 35.1 | Very low | 40.2 | Very low | 143 Ų | 143 | 120.2 Ų | 120.2 | 62% | 0.622 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -57.7 | -47.5 | 173.2 | -100.5 | -178.9 | 174.1 | 179.4 | 0 | 112.4 | S1155 D1156 K1161 H1162 E1163 | S1155-K1159 PolarHBondContact O-N 2.91Å; D1156-K1159 PolarHBondContact O-N 2.89Å; K1159-K1161 PolarHBondContact O-N 3.23Å; K1159-H1162 PolarHBondContact O-N 3.33Å; K1159-E1163 WeakPolarHBondContact O-CA 3.28Å; K1159-E1163 PolarHBondContact O-N 2.98Å |
| 1160 | V | 47.2 | Very low | 40.3 | Very low | 97 Ų | 97 | 119.3 Ų | 119.3 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.4 | -23.5 | 176.8 | 175.9 | 0 | 0 | 0 | 0 | 112.6 | D1156 I1158 E1163 Y1164 | D1156-V1160 WeakPolarHBondContact O-CG2 3.43Å; D1156-V1160 PolarHBondContact O-N 2.87Å; I1158-V1160 PolarHBondContact O-N 3.42Å; V1160-E1163 WeakPolarHBondContact O-CA 3.36Å; V1160-Y1164 PolarHBondContact O-N 2.96Å; V1160-Y1164 VanDerWaalsContact O-N 3.13Å |
| 1161 | K | 40 | Very low | 40.7 | Very low | 160 Ų | 160 | 121.7 Ų | 121.7 | 70% | 0.696 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.7 | -26.8 | 171.8 | -85.6 | -174.5 | 172.1 | -178.1 | 0 | 114.4 | I1158 K1159 | I1158-K1161 PolarHBondContact O-N 3.28Å; I1158-K1161 VanDerWaalsContact O-N 3.09Å; K1159-K1161 PolarHBondContact O-N 3.23Å |
| 1162 | H | 39 | Very low | 41.3 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 61% | 0.606 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -80.1 | -49.2 | 169.5 | -89.4 | -70.7 | 0 | 0 | 0 | 111.6 | I1158 K1159 Y1164 N1165 Q1166 | I1158-H1162 PolarHBondContact O-N 3.34Å; I1158-H1162 VanDerWaalsContact O-N 3.08Å; K1159-H1162 PolarHBondContact O-N 3.33Å; H1162-Y1164 PolarHBondContact O-N 2.87Å; H1162-N1165 PolarHBondContact O-N 2.9Å; H1162-Q1166 PolarHBondContact O-N 3.38Å |
| 1163 | E | 36.4 | Very low | 41.9 | Very low | 133 Ų | 133 | 119 Ų | 119 | 62% | 0.621 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | 11.9 | -86.9 | 132.1 | -54.9 | 170.6 | 177.9 | 0 | 0 | 117.5 | K1159 V1160 N1165 | K1159-E1163 WeakPolarHBondContact O-CA 3.28Å; K1159-E1163 PolarHBondContact O-N 2.98Å; V1160-E1163 WeakPolarHBondContact O-CA 3.36Å; E1163-N1165 VanDerWaalsContact C-N 3.34Å; E1163-N1165 PolarHBondContact O-N 3.48Å |
| 1164 | Y | 37.2 | Very low | 42.4 | Very low | 173 Ų | 173 | 117.7 Ų | 117.7 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.6 | -16.4 | -171.6 | -139.3 | -98.7 | 0 | 0 | 0 | 114.6 | V1160 H1162 N1168 | V1160-Y1164 PolarHBondContact O-N 2.96Å; V1160-Y1164 VanDerWaalsContact O-N 3.13Å; H1162-Y1164 PolarHBondContact O-N 2.87Å; Y1164-N1168 PolarHBondContact O-ND2 3.49Å |
| 1165 | N | 39.5 | Very low | 43.5 | Very low | 111 Ų | 111 | 116 Ų | 116 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -89.8 | -27.3 | -178.2 | -91.6 | -16.3 | 0 | 0 | 0 | 113.4 | H1162 E1163 | H1162-N1165 PolarHBondContact O-N 2.9Å; E1163-N1165 VanDerWaalsContact C-N 3.34Å; E1163-N1165 PolarHBondContact O-N 3.48Å |
| 1166 | Q | 38.3 | Very low | 44.4 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 66% | 0.664 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.6 | -40.3 | 173.5 | -78.1 | -174 | -23.4 | 0 | 0 | 112.1 | H1162 N1168 A1169 T1170 | H1162-Q1166 PolarHBondContact O-N 3.38Å; Q1166-N1168 VanDerWaalsContact C-N 3.26Å; Q1166-N1168 PolarHBondContact O-N 3.18Å; Q1166-A1169 WeakPolarHBondContact O-CB 3.41Å; Q1166-A1169 PolarHBondContact O-N 3.07Å; Q1166-T1170 PolarHBondContact O-N 3.16Å; Q1166-T1170 PolarHBondContact O-OG1 3.05Å |
| 1167 | N | 41.7 | Very low | 45.3 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 60% | 0.604 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.7 | -22 | 179.7 | -76 | -29.9 | 0 | 0 | 0 | 114.5 | ||
| 1168 | N | 41.7 | Very low | 46 | Very low | 77 Ų | 77 | 118 Ų | 118 | 41% | 0.412 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -80.2 | -25.5 | 172.2 | -78.9 | -28.7 | 0 | 0 | 0 | 113.3 | Y1164 Q1166 T1172 | Y1164-N1168 PolarHBondContact O-ND2 3.49Å; Q1166-N1168 VanDerWaalsContact C-N 3.26Å; Q1166-N1168 PolarHBondContact O-N 3.18Å; N1168-T1172 WeakPolarHBondContact O-CB 3.27Å; N1168-T1172 PolarHBondContact O-N 3.06Å; N1168-T1172 VanDerWaalsContact O-N 3.08Å; N1168-T1172 PolarHBondContact O-OG1 2.94Å |
| 1169 | A | 40.3 | Very low | 46.1 | Very low | 53 Ų | 53 | 119.1 Ų | 119.1 | 44% | 0.438 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.3 | -49.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q1166 R1171 T1172 I1173 | Q1166-A1169 WeakPolarHBondContact O-CB 3.41Å; Q1166-A1169 PolarHBondContact O-N 3.07Å; A1169-R1171 VanDerWaalsContact C-N 3.33Å; A1169-R1171 PolarHBondContact O-N 3.38Å; A1169-T1172 PolarHBondContact O-N 3.04Å; A1169-T1172 VanDerWaalsContact O-N 3.16Å; A1169-I1173 WeakPolarHBondContact O-CG1 3.33Å; A1169-I1173 PolarHBondContact O-N 2.71Å |
| 1170 | T | 42.9 | Very low | 46.6 | Very low | 86 Ų | 86 | 118.8 Ų | 118.8 | 53% | 0.528 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.1 | -43.9 | 178.6 | -30.4 | 0 | 0 | 0 | 0 | 111.6 | Q1166 T1172 I1173 E1174 | Q1166-T1170 PolarHBondContact O-N 3.16Å; Q1166-T1170 PolarHBondContact O-OG1 3.05Å; T1170-T1172 VanDerWaalsContact C-N 3.32Å; T1170-T1172 PolarHBondContact O-N 3.08Å; T1170-I1173 PolarHBondContact O-N 3.41Å; T1170-E1174 PolarHBondContact O-N 2.82Å |
| 1171 | R | 45.9 | Very low | 46.8 | Very low | 170 Ų | 170 | 118.5 Ų | 118.5 | 64% | 0.642 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.2 | -31.1 | 178.9 | -140.4 | 175.2 | -166.3 | 178.1 | 4 | 113.1 | A1169 N1175 | A1169-R1171 VanDerWaalsContact C-N 3.33Å; A1169-R1171 PolarHBondContact O-N 3.38Å; R1171-N1175 WeakPolarHBondContact O-CB 3.42Å; R1171-N1175 PolarHBondContact O-N 3.01Å; R1171-N1175 PolarHBondContact O-ND2 3.49Å |
| 1172 | T | 53.4 | Low | 46.8 | Very low | 85 Ų | 85 | 117.3 Ų | 117.3 | 52% | 0.521 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.8 | -36.1 | 174.3 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | N1168 A1169 T1170 R1176 | N1168-T1172 WeakPolarHBondContact O-CB 3.27Å; N1168-T1172 PolarHBondContact O-N 3.06Å; N1168-T1172 VanDerWaalsContact O-N 3.08Å; N1168-T1172 PolarHBondContact O-OG1 2.94Å; A1169-T1172 PolarHBondContact O-N 3.04Å; A1169-T1172 VanDerWaalsContact O-N 3.16Å; T1170-T1172 VanDerWaalsContact C-N 3.32Å; T1170-T1172 PolarHBondContact O-N 3.08Å; T1172-R1176 PolarHBondContact O-N 3.07Å |
| 1173 | I | 52.1 | Low | 47.1 | Very low | 103 Ų | 103 | 116 Ų | 116 | 53% | 0.528 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.1 | -47 | 175 | -65.9 | 168.5 | 0 | 0 | 0 | 110.8 | A1169 T1170 N1175 R1176 I1177 | A1169-I1173 WeakPolarHBondContact O-CG1 3.33Å; A1169-I1173 PolarHBondContact O-N 2.71Å; T1170-I1173 PolarHBondContact O-N 3.41Å; I1173-N1175 VanDerWaalsContact C-N 3.32Å; I1173-N1175 PolarHBondContact O-N 3.46Å; I1173-R1176 PolarHBondContact O-N 3.23Å; I1173-I1177 HydrophobicContact CG2-CD1 3.76Å; I1173-I1177 HydrophobicContact CG2-CG1 4.41Å; I1173-I1177 WeakPolarHBondContact O-CG1 3.47Å; I1173-I1177 PolarHBondContact O-N 3.08Å |
| 1174 | E | 52.2 | Low | 47.3 | Very low | 109 Ų | 109 | 112.9 Ų | 112.9 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -56.7 | -44.4 | 173.8 | -86.5 | -163 | 119.5 | 0 | 0 | 112.3 | T1170 I1177 K1178 | T1170-E1174 PolarHBondContact O-N 2.82Å; E1174-I1177 PolarHBondContact O-N 3.48Å; E1174-K1178 PolarHBondContact O-N 2.96Å |
| 1175 | N | 64 | Low | 47.4 | Very low | 97 Ų | 97 | 109.7 Ų | 109.7 | 52% | 0.519 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 177.9 | -75.4 | -12.6 | 0 | 0 | 0 | 111.9 | R1171 I1173 Q1179 | R1171-N1175 WeakPolarHBondContact O-CB 3.42Å; R1171-N1175 PolarHBondContact O-N 3.01Å; R1171-N1175 PolarHBondContact O-ND2 3.49Å; I1173-N1175 VanDerWaalsContact C-N 3.32Å; I1173-N1175 PolarHBondContact O-N 3.46Å; N1175-Q1179 VanDerWaalsContact O-CB 3.23Å; N1175-Q1179 WeakPolarHBondContact O-CB 3.23Å; N1175-Q1179 PolarHBondContact O-N 3Å |
| 1176 | R | 59.8 | Low | 47.3 | Very low | 181 Ų | 181 | 111.8 Ų | 111.8 | 68% | 0.683 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63 | -43 | 172 | -96 | -172.9 | 179.5 | 176.3 | 2.1 | 112.5 | T1172 I1173 Q1179 Q1180 | T1172-R1176 PolarHBondContact O-N 3.07Å; I1173-R1176 PolarHBondContact O-N 3.23Å; R1176-Q1179 PolarHBondContact O-N 3.24Å; R1176-Q1180 WeakPolarHBondContact O-CB 3.42Å; R1176-Q1180 WeakPolarHBondContact O-CG 3.43Å; R1176-Q1180 PolarHBondContact O-N 3.28Å |
| 1177 | I | 58.9 | Low | 47 | Very low | 86 Ų | 86 | 112.4 Ų | 112.4 | 44% | 0.441 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.6 | -45.8 | 179.2 | -68.9 | 169.7 | 0 | 0 | 0 | 110.1 | I1173 E1174 Q1179 Q1180 I1181 | I1173-I1177 HydrophobicContact CG2-CD1 3.76Å; I1173-I1177 HydrophobicContact CG2-CG1 4.41Å; I1173-I1177 WeakPolarHBondContact O-CG1 3.47Å; I1173-I1177 PolarHBondContact O-N 3.08Å; E1174-I1177 PolarHBondContact O-N 3.48Å; I1177-Q1179 PolarHBondContact O-N 3.13Å; I1177-Q1180 PolarHBondContact O-N 3.31Å; I1177-I1181 HydrophobicContact CG2-CD1 3.72Å; I1177-I1181 HydrophobicContact CG2-CG1 4.46Å; I1177-I1181 VanDerWaalsContact O-CG1 3.27Å; I1177-I1181 WeakPolarHBondContact O-CG1 3.38Å; I1177-I1181 PolarHBondContact O-N 3.19Å |
| 1178 | K | 54.3 | Low | 46.5 | Very low | 129 Ų | 129 | 114.2 Ų | 114.2 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -58.6 | -46.4 | 173.4 | -80.3 | -177.6 | 175.2 | 173.4 | 0 | 112.1 | E1174 Q1180 I1181 E1182 | E1174-K1178 PolarHBondContact O-N 2.96Å; K1178-Q1180 VanDerWaalsContact C-N 3.32Å; K1178-Q1180 PolarHBondContact O-N 3.23Å; K1178-I1181 PolarHBondContact O-N 3.3Å; K1178-E1182 PolarHBondContact O-N 3.42Å |
| 1179 | Q | 48.4 | Very low | 45.9 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 57% | 0.57 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.3 | -31.5 | 179.7 | -162.4 | 171.7 | 32.6 | 0 | 0 | 112.6 | N1175 R1176 I1177 N1183 | N1175-Q1179 VanDerWaalsContact O-CB 3.23Å; N1175-Q1179 WeakPolarHBondContact O-CB 3.23Å; N1175-Q1179 PolarHBondContact O-N 3Å; R1176-Q1179 PolarHBondContact O-N 3.24Å; I1177-Q1179 PolarHBondContact O-N 3.13Å; Q1179-N1183 VanDerWaalsContact O-CB 3.27Å; Q1179-N1183 WeakPolarHBondContact O-CB 3.43Å; Q1179-N1183 PolarHBondContact O-N 3.1Å; Q1179-N1183 PolarHBondContact O-ND2 3.41Å |
| 1180 | Q | 45.5 | Very low | 45.3 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 64% | 0.64 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.2 | -37.9 | 170.9 | -79 | -176.1 | -40.2 | 0 | 0 | 112.7 | R1176 I1177 K1178 S1184 | R1176-Q1180 WeakPolarHBondContact O-CB 3.42Å; R1176-Q1180 WeakPolarHBondContact O-CG 3.43Å; R1176-Q1180 PolarHBondContact O-N 3.28Å; I1177-Q1180 PolarHBondContact O-N 3.31Å; K1178-Q1180 VanDerWaalsContact C-N 3.32Å; K1178-Q1180 PolarHBondContact O-N 3.23Å; Q1180-S1184 WeakPolarHBondContact O-CB 3.42Å; Q1180-S1184 PolarHBondContact O-N 3.31Å; Q1180-S1184 PolarHBondContact O-OG 3.31Å |
| 1181 | I | 50.7 | Low | 44.6 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 46% | 0.462 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.2 | -41 | 176.3 | -68.4 | 167.1 | 0 | 0 | 0 | 111.3 | I1177 K1178 S1184 N1185 | I1177-I1181 HydrophobicContact CG2-CD1 3.72Å; I1177-I1181 HydrophobicContact CG2-CG1 4.46Å; I1177-I1181 VanDerWaalsContact O-CG1 3.27Å; I1177-I1181 WeakPolarHBondContact O-CG1 3.38Å; I1177-I1181 PolarHBondContact O-N 3.19Å; K1178-I1181 PolarHBondContact O-N 3.3Å; I1181-S1184 PolarHBondContact O-N 3.15Å; I1181-S1184 PolarHBondContact O-OG 3.43Å; I1181-N1185 PolarHBondContact O-N 3.3Å; I1181-N1185 VanDerWaalsContact O-N 3.11Å |
| 1182 | E | 40.8 | Very low | 43.7 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.7 | -42.3 | 174.7 | -74.2 | -179.4 | 154.2 | 0 | 0 | 111.5 | K1178 S1184 N1185 H1186 | K1178-E1182 PolarHBondContact O-N 3.42Å; E1182-S1184 PolarHBondContact O-N 3.17Å; E1182-N1185 PolarHBondContact O-N 3.09Å; E1182-H1186 PolarHBondContact O-N 3.35Å |
| 1183 | N | 44.5 | Very low | 42.3 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67 | -34.6 | 176.2 | -74.2 | -18 | 0 | 0 | 0 | 113.1 | Q1179 H1186 Q1187 | Q1179-N1183 VanDerWaalsContact O-CB 3.27Å; Q1179-N1183 WeakPolarHBondContact O-CB 3.43Å; Q1179-N1183 PolarHBondContact O-N 3.1Å; Q1179-N1183 PolarHBondContact O-ND2 3.41Å; N1183-H1186 PolarHBondContact O-N 2.93Å; N1183-Q1187 PolarHBondContact O-N 3.45Å |
| 1184 | S | 41.2 | Very low | 41.1 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 47% | 0.469 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.2 | -36.6 | 176.6 | 68.6 | 0 | 0 | 0 | 0 | 112.3 | Q1180 I1181 E1182 H1186 Q1187 H1188 | Q1180-S1184 WeakPolarHBondContact O-CB 3.42Å; Q1180-S1184 PolarHBondContact O-N 3.31Å; Q1180-S1184 PolarHBondContact O-OG 3.31Å; I1181-S1184 PolarHBondContact O-N 3.15Å; I1181-S1184 PolarHBondContact O-OG 3.43Å; E1182-S1184 PolarHBondContact O-N 3.17Å; S1184-H1186 VanDerWaalsContact C-N 3.25Å; S1184-H1186 PolarHBondContact O-N 3.41Å; S1184-Q1187 PolarHBondContact O-N 3.29Å; S1184-H1188 PolarHBondContact O-N 3.12Å |
| 1185 | N | 38.8 | Very low | 39.8 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 57% | 0.572 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.9 | -22.4 | 175.1 | -80 | -23.4 | 0 | 0 | 0 | 113.7 | I1181 E1182 | I1181-N1185 PolarHBondContact O-N 3.3Å; I1181-N1185 VanDerWaalsContact O-N 3.11Å; E1182-N1185 PolarHBondContact O-N 3.09Å |
| 1186 | H | 37.5 | Very low | 38 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -83.7 | -24.6 | 172.6 | -86.8 | -28.1 | 0 | 0 | 0 | 114.6 | E1182 N1183 S1184 | E1182-H1186 PolarHBondContact O-N 3.35Å; N1183-H1186 PolarHBondContact O-N 2.93Å; S1184-H1186 VanDerWaalsContact C-N 3.25Å; S1184-H1186 PolarHBondContact O-N 3.41Å |
| 1187 | Q | 32.5 | Very low | 36.5 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 72% | 0.724 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -78.8 | -25.8 | 173.8 | -75.7 | -168.3 | -33.6 | 0 | 0 | 113.6 | N1183 S1184 H1189 | N1183-Q1187 PolarHBondContact O-N 3.45Å; S1184-Q1187 PolarHBondContact O-N 3.29Å; Q1187-H1189 PolarHBondContact O-N 3.42Å |
| 1188 | H | 30.4 | Very low | 34.9 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -14.1 | -177.7 | -142.1 | -21.2 | 0 | 0 | 0 | 114.2 | S1184 | S1184-H1188 PolarHBondContact O-N 3.12Š|
| 1189 | H | 29.7 | Very low | 33.4 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 1.9 | -176 | -115 | -44.3 | 0 | 0 | 0 | 115.9 | Q1187 | Q1187-H1189 PolarHBondContact O-N 3.42Š|
| 1190 | Q | 28.9 | Very low | 32.3 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -112.3 | -0.1 | -179.7 | -100.7 | 178.1 | -14.4 | 0 | 0 | 115.8 | ||
| 1191 | I | 27.5 | Very low | 31.4 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -113.6 | 39.9 | 177.1 | -37.9 | -177.8 | 0 | 0 | 0 | 111.2 | ||
| 1192 | I | 26 | Very low | 30.1 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -128.1 | 52.9 | 168 | -45.5 | -179.8 | 0 | 0 | 0 | 109 | ||
| 1193 | C | 25.4 | Very low | 29.1 | Very low | 114 Ų | 114 | 155.3 Ų | 155.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -157.2 | 67.8 | 173.5 | -96.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1194 | D | 26.3 | Very low | 28.2 | Very low | 156 Ų | 156 | 161.3 Ų | 161.3 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -164.9 | 39.2 | 156.1 | -102.9 | -23.1 | 0 | 0 | 0 | 114.2 | K1196 | D1194-K1196 VanDerWaalsContact C-N 3.31Å; D1194-K1196 PolarHBondContact O-N 3.23Å | ||
| 1195 | E | 25.1 | Very low | 27.4 | Very low | 201 Ų | 201 | 163.6 Ų | 163.6 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 38.1 | -179.6 | -152.8 | -174.9 | -153.8 | 0 | 0 | 113.2 | ||
| 1196 | K | 26.8 | Very low | 26.6 | Very low | 204 Ų | 204 | 165.5 Ų | 165.5 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | 2 | -171.6 | -88.2 | -175.4 | 178.8 | 173.5 | 0 | 117.9 | D1194 | D1194-K1196 VanDerWaalsContact C-N 3.31Å; D1194-K1196 PolarHBondContact O-N 3.23Å |
| 1197 | S | 27.6 | Very low | 26 | Very low | 109 Ų | 109 | 164.5 Ų | 164.5 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -107.9 | 21.4 | -176.9 | 59.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1198 | L | 24.3 | Very low | 25.7 | Very low | 167 Ų | 167 | 162.8 Ų | 162.8 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -132.6 | 61.6 | 177.5 | -149.7 | 79.1 | 0 | 0 | 0 | 113.8 | ||||
| 1199 | N | 23 | Very low | 25.4 | Very low | 158 Ų | 158 | 161.7 Ų | 161.7 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -147.8 | 70.4 | 175.5 | -109 | -39.4 | 0 | 0 | 0 | 112.1 | ||||
| 1200 | K | 25.7 | Very low | 25.2 | Very low | 206 Ų | 206 | 160.6 Ų | 160.6 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | 171 | 93.4 | 155.6 | -97.6 | 161.6 | -176.6 | -178.9 | 0 | 110.6 | ||||
| 1201 | E | 27.4 | Very low | 24.9 | Very low | 197 Ų | 197 | 159.7 Ų | 159.7 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -176.7 | 71 | 141.7 | -106.6 | 174.8 | 172.1 | 0 | 0 | 111 | ||||
| 1202 | I | 22.7 | Very low | 25 | Very low | 161 Ų | 161 | 160.4 Ų | 160.4 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -135.7 | 81 | 167.6 | -54.5 | 178.6 | 0 | 0 | 0 | 108 | ||||
| 1203 | Y | 20.6 | Very low | 25 | Very low | 230 Ų | 230 | 162.4 Ų | 162.4 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -163 | 104.3 | 166.4 | -102.6 | -69.9 | 0 | 0 | 0 | 112.4 | ||||
| 1204 | R | 25.2 | Very low | 25 | Very low | 229 Ų | 229 | 163 Ų | 163 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | 160.1 | 101.5 | 142.3 | -90.1 | 169.1 | -173.6 | -158.1 | 1.7 | 109.4 | ||||
| 1205 | T | 24.4 | Very low | 24.9 | Very low | 115 Ų | 115 | 163 Ų | 163 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | 62.4 | 103.3 | 96.6 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1206 | N | 21.7 | Very low | 24.7 | Very low | 147 Ų | 147 | 160.5 Ų | 160.5 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | 56.1 | 103.2 | 96.8 | -87.2 | 15.8 | 0 | 0 | 0 | 114 | |||||
| 1207 | N | 24.5 | Very low | 24.5 | Very low | 133 Ų | 133 | 156.2 Ų | 156.2 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | 169.2 | 147.2 | 105.8 | -96.8 | -5.4 | 0 | 0 | 0 | 114 | |||||
| 1208 | N | 25.7 | Very low | 24.5 | Very low | 118 Ų | 118 | 160 Ų | 160 | 63% | 0.631 | 80% | 0.798 | S | S | * | * | trans | 62.1 | 114.7 | 138.4 | -63 | -4.3 | 0 | 0 | 0 | 122.5 | ||||
| 1209 | N | 24.2 | Very low | 24.7 | Very low | 128 Ų | 128 | 159.9 Ų | 159.9 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | 75.7 | 138.7 | 115 | -62.4 | -4.4 | 0 | 0 | 0 | 122.2 | |||||
| 1210 | N | 25.5 | Very low | 24.7 | Very low | 137 Ų | 137 | 159.8 Ų | 159.8 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | 71.6 | 109.6 | 152.1 | -59.2 | -7.5 | 0 | 0 | 0 | 115.2 | ||||
| 1211 | N | 23.3 | Very low | 24.6 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | 59.5 | 91.4 | 84.8 | -75.4 | 5.8 | 0 | 0 | 0 | 112.2 | |||||
| 1212 | E | 29.6 | Very low | 24.5 | Very low | 170 Ų | 170 | 154.1 Ų | 154.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -168 | 94.8 | 135.6 | -109.9 | 171.5 | -143.9 | 0 | 0 | 109.6 | I1214 | E1212-I1214 PolarHBondContact O-N 3Š| ||
| 1213 | D | 25.3 | Very low | 24.7 | Very low | 177 Ų | 177 | 151.7 Ų | 151.7 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | trans | -77.1 | 101.1 | 169.7 | -78.4 | -45.3 | 0 | 0 | 0 | 109.4 | ||||
| 1214 | I | 26.9 | Very low | 25 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 65% | 0.646 | 77% | 0.773 | S | S | * | * | trans | -129.9 | 126.3 | 175.1 | -68.9 | -179.5 | 0 | 0 | 0 | 110.6 | E1212 | E1212-I1214 PolarHBondContact O-N 3Š| ||
| 1215 | L | 23 | Very low | 25.1 | Very low | 157 Ų | 157 | 146 Ų | 146 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 50.2 | 103.1 | 163.8 | -98.3 | 71.2 | 0 | 0 | 0 | 120.5 | ||||
| 1216 | L | 21.3 | Very low | 25.1 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | 45.1 | 113.3 | 105.1 | -144.5 | 77.2 | 0 | 0 | 0 | 119.9 | |||||
| 1217 | T | 23.2 | Very low | 25.3 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 53.6 | 107.7 | 145.8 | 56.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1218 | H | 27.1 | Very low | 25.3 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | -153.8 | 157.4 | 128.8 | -111.2 | -77.5 | 0 | 0 | 0 | 110 | |||||
| 1219 | L | 28.7 | Very low | 25.3 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 82.8 | 88.9 | 173.4 | -56.6 | 170.2 | 0 | 0 | 0 | 118.2 | ||||
| 1220 | L | 21.8 | Very low | 25.1 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -56.4 | 165.8 | 131.4 | -59.2 | 150.6 | 0 | 0 | 0 | 108.9 | ||||
| 1221 | T | 24.2 | Very low | 25.2 | Very low | 112 Ų | 112 | 152.6 Ų | 152.6 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | cis | -167.5 | 171.2 | 34.4 | -23.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1222 | E | 24.9 | Very low | 25 | Very low | 172 Ų | 172 | 155.4 Ų | 155.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 62.1 | 108.7 | 153 | -70.5 | 165.5 | -156.7 | 0 | 0 | 120.5 | ||||
| 1223 | S | 28.6 | Very low | 24.8 | Very low | 109 Ų | 109 | 156.5 Ų | 156.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | 162.1 | 134.4 | 95.7 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1224 | N | 24.8 | Very low | 24.6 | Very low | 149 Ų | 149 | 158.2 Ų | 158.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 13.3 | 118.7 | 149.9 | -45.5 | -22.4 | 0 | 0 | 0 | 119.4 | ||||
| 1225 | E | 28.2 | Very low | 24.5 | Very low | 190 Ų | 190 | 160.2 Ų | 160.2 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | -178.6 | 141.2 | 96 | -96.2 | -179 | -178.7 | 0 | 0 | 113.8 | I1227 | E1225-I1227 PolarHBondContact O-N 3.3Š| |||
| 1226 | N | 24.8 | Very low | 24.5 | Very low | 151 Ų | 151 | 161.4 Ų | 161.4 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -73.6 | 106.7 | -168.6 | -60.3 | -50 | 0 | 0 | 0 | 114.3 | ||||
| 1227 | I | 25.3 | Very low | 24.6 | Very low | 160 Ų | 160 | 160.4 Ų | 160.4 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | trans | -143 | 77.1 | 152.5 | -44.1 | 177 | 0 | 0 | 0 | 111.9 | E1225 | E1225-I1227 PolarHBondContact O-N 3.3Š| ||
| 1228 | P | 25 | Very low | 24.6 | Very low | 111 Ų | 111 | 161.8 Ų | 161.8 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | trans | -88.9 | 120.2 | 169.8 | 10.8 | 7.7 | 0 | 0 | 0 | 110.7 | ||||
| 1229 | L | 24.7 | Very low | 24.4 | Very low | 143 Ų | 143 | 160 Ų | 160 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -62 | 140.7 | 165.7 | -72.3 | 85.5 | 0 | 0 | 0 | 109.8 | T1231 | L1229-T1231 VanDerWaalsContact C-N 3.28Å; L1229-T1231 PolarHBondContact O-N 3.34Å | ||
| 1230 | Y | 21.5 | Very low | 24.3 | Very low | 247 Ų | 247 | 156.2 Ų | 156.2 | 97% | 0.969 | 79% | 0.793 | S | S | * | * | trans | -69.5 | 84 | 167 | -101.1 | -94.8 | 0 | 0 | 0 | 110.3 | ||||
| 1231 | T | 26.9 | Very low | 24.5 | Very low | 106 Ų | 106 | 155.4 Ų | 155.4 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -91 | 120.4 | 164.8 | 39.7 | 0 | 0 | 0 | 0 | 110.8 | L1229 Y1233 | L1229-T1231 VanDerWaalsContact C-N 3.28Å; L1229-T1231 PolarHBondContact O-N 3.34Å; T1231-Y1233 PolarHBondContact O-N 3.21Å | ||
| 1232 | Y | 20 | Very low | 24.7 | Very low | 213 Ų | 213 | 155.8 Ų | 155.8 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -49.9 | 118.3 | 172.5 | -125.8 | -110.2 | 0 | 0 | 0 | 111.6 | Y1234 | Y1232-Y1234 HydrophobicContact CE1-CE2 4.48Š| ||
| 1233 | Y | 24.3 | Very low | 24.7 | Very low | 192 Ų | 192 | 153 Ų | 153 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -133.6 | 112.3 | 168.8 | -102.1 | -87.8 | 0 | 0 | 0 | 111.5 | T1231 | T1231-Y1233 PolarHBondContact O-N 3.21Š| ||
| 1234 | Y | 21.4 | Very low | 24.4 | Very low | 213 Ų | 213 | 155.3 Ų | 155.3 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -79.3 | 122.2 | 157.1 | -96.3 | -99.8 | 0 | 0 | 0 | 108.1 | Y1232 | Y1232-Y1234 HydrophobicContact CE1-CE2 4.48Š| ||
| 1235 | Q | 25.6 | Very low | 24.6 | Very low | 168 Ų | 168 | 157.5 Ų | 157.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -151.6 | 139.1 | 155.8 | -144.8 | 159 | -11.1 | 0 | 0 | 112 | ||||
| 1236 | H | 22.1 | Very low | 24.2 | Very low | 182 Ų | 182 | 156.2 Ų | 156.2 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -66.7 | 143.1 | 178.1 | -79.1 | -43.9 | 0 | 0 | 0 | 111.8 | ||||
| 1237 | C | 22.8 | Very low | 24.2 | Very low | 127 Ų | 127 | 159.7 Ų | 159.7 | 86% | 0.858 | 79% | 0.787 | S | S | * | * | trans | -95.7 | 117.9 | 164.1 | -58.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1238 | D | 24.3 | Very low | 24.2 | Very low | 143 Ų | 143 | 158.1 Ų | 158.1 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -113.5 | 112.8 | 163.5 | -91.6 | -48.2 | 0 | 0 | 0 | 109.1 | ||||
| 1239 | N | 23.3 | Very low | 24.3 | Very low | 149 Ų | 149 | 159.9 Ų | 159.9 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 31.7 | 151.9 | 148.1 | -62.7 | -38.6 | 0 | 0 | 0 | 124.1 | ||||
| 1240 | A | 26.2 | Very low | 24.5 | Very low | 87 Ų | 87 | 158 Ų | 158 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | 78.6 | 140.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1241 | D | 26.1 | Very low | 24.5 | Very low | 139 Ų | 139 | 156.5 Ų | 156.5 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | cis | -170.1 | 164.4 | -16.7 | -123.6 | -38.9 | 0 | 0 | 0 | 108.8 | ||||
| 1242 | T | 27.2 | Very low | 24.5 | Very low | 121 Ų | 121 | 162 Ų | 162 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | 62 | 154.4 | 161.2 | 62.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1243 | T | 25.5 | Very low | 24.7 | Very low | 114 Ų | 114 | 158.8 Ų | 158.8 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | cis | -157.7 | 150.3 | -11.4 | 13.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1244 | E | 22.7 | Very low | 24.7 | Very low | 157 Ų | 157 | 155.8 Ų | 155.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -0.7 | 139.1 | 149.4 | -51.9 | 178.4 | 155.9 | 0 | 0 | 120.4 | ||||
| 1245 | Q | 28.4 | Very low | 24.9 | Very low | 195 Ų | 195 | 152.7 Ų | 152.7 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | -159.4 | 143 | 121.8 | -111.7 | 169.8 | 35.8 | 0 | 0 | 114.2 | |||||
| 1246 | F | 20.5 | Very low | 24.6 | Very low | 162 Ų | 162 | 156.4 Ų | 156.4 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -93.8 | 151.9 | -174.4 | -74.6 | -113.5 | 0 | 0 | 0 | 112.6 | ||||
| 1247 | Y | 25 | Very low | 24.7 | Very low | 224 Ų | 224 | 152.6 Ų | 152.6 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | trans | -147.2 | 159.9 | 147.6 | -99 | -74.5 | 0 | 0 | 0 | 112.9 | ||||
| 1248 | N | 24.3 | Very low | 24.7 | Very low | 127 Ų | 127 | 154.5 Ų | 154.5 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | trans | -104.9 | 138.8 | -149.9 | -70.8 | -67.4 | 0 | 0 | 0 | 116.7 | ||||
| 1249 | I | 26.5 | Very low | 24.7 | Very low | 148 Ų | 148 | 151 Ų | 151 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | 22.4 | 139.3 | 110.3 | -64.8 | 170.7 | 0 | 0 | 0 | 116.2 | |||||
| 1250 | P | 30.1 | Very low | 24.9 | Very low | 104 Ų | 104 | 152 Ų | 152 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | cis | -150.7 | -178.5 | 36 | 24.7 | 3.3 | 0 | 0 | 0 | 120.8 | ||||
| 1251 | R | 21.3 | Very low | 24.9 | Very low | 216 Ų | 216 | 152.8 Ų | 152.8 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | 80.7 | 108.1 | 139.8 | -88.9 | 168.6 | -175.2 | -178.1 | 2.1 | 121.8 | ||||
| 1252 | K | 26.5 | Very low | 24.9 | Very low | 221 Ų | 221 | 153.6 Ų | 153.6 | 96% | 0.961 | 79% | 0.789 | S | S | * | * | -139.1 | 154.5 | 120.5 | -96.8 | -178.4 | -177.4 | 176.8 | 0 | 109.4 | |||||
| 1253 | Q | 25 | Very low | 25 | Very low | 146 Ų | 146 | 152 Ų | 152 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | trans | -122.8 | 151.2 | -161.4 | -95.3 | 179.5 | -36.4 | 0 | 0 | 113.9 | ||||
| 1254 | N | 23.1 | Very low | 25 | Very low | 129 Ų | 129 | 154.4 Ų | 154.4 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | trans | 54.1 | 120.7 | 146 | -53 | -5.3 | 0 | 0 | 0 | 120.1 | ||||
| 1255 | T | 25.7 | Very low | 25.2 | Very low | 147 Ų | 147 | 151.7 Ų | 151.7 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | -173.6 | 156.3 | 90.9 | 23.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1256 | W | 19.3 | Very low | 25.2 | Very low | 247 Ų | 247 | 151.1 Ų | 151.1 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | -75.8 | 154.6 | -174.7 | -91.2 | -68.9 | 0 | 0 | 0 | 115.2 | ||||
| 1257 | S | 25 | Very low | 25.4 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | 173.2 | 143.4 | 99 | 44.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1258 | N | 23.8 | Very low | 25.7 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | 35.1 | 139.6 | 156.4 | -57.3 | -7.7 | 0 | 0 | 0 | 121.4 | ||||
| 1259 | G | 23.7 | Very low | 25.8 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | cis | 163.9 | 168.5 | 0.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1260 | N | 26.2 | Very low | 26 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | 72 | 93 | 172.9 | -70.9 | 15.2 | 0 | 0 | 0 | 119.8 | ||||
| 1261 | S | 26.3 | Very low | 25.5 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -46.2 | 159.2 | 149.7 | 50.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1262 | N | 27.7 | Very low | 25.9 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -146 | 116.6 | 134.9 | -104.2 | -13.3 | 0 | 0 | 0 | 112.5 | ||||
| 1263 | S | 27.7 | Very low | 26 | Very low | 87 Ų | 87 | 138.2 Ų | 138.2 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | 46.9 | 104.3 | 147 | 61.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 1264 | D | 27.3 | Very low | 26.1 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | 68.9 | 83.4 | 113.6 | -48.8 | -29.3 | 0 | 0 | 0 | 120.6 | |||||
| 1265 | S | 25.7 | Very low | 26.4 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -131.6 | 124.2 | 149.1 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1266 | H | 29.3 | Very low | 26.3 | Very low | 184 Ų | 184 | 141 Ų | 141 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | 140.4 | 93.1 | 152.5 | -74.1 | -55.1 | 0 | 0 | 0 | 111.8 | ||||
| 1267 | G | 25 | Very low | 26.8 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 143.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1268 | P | 30.3 | Very low | 26.8 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -74.9 | 131.4 | 174.6 | 30.4 | -33.5 | 0 | 0 | 0 | 111 | T1270 | P1268-T1270 PolarHBondContact O-N 3.46Å; P1268-T1270 VanDerWaalsContact O-N 3.15Å | ||
| 1269 | V | 27.4 | Very low | 27 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | -79.2 | 95 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1270 | T | 29 | Very low | 27.1 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 130.5 | 167.3 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | P1268 P1272 | P1268-T1270 PolarHBondContact O-N 3.46Å; P1268-T1270 VanDerWaalsContact O-N 3.15Å; T1270-P1272 WeakPolarHBondContact O-CD 3.46Å |
| 1271 | W | 21 | Very low | 27.3 | Very low | 238 Ų | 238 | 138.8 Ų | 138.8 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -80 | 127.3 | -174.8 | -72.1 | 35.7 | 0 | 0 | 0 | 111.4 | ||
| 1272 | P | 29.9 | Very low | 27.4 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 126.3 | 166.3 | -5.2 | 23.9 | 0 | 0 | 0 | 110.5 | T1270 | T1270-P1272 WeakPolarHBondContact O-CD 3.46Š|
| 1273 | T | 27.1 | Very low | 27.5 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 136.1 | -178.7 | -43.4 | 0 | 0 | 0 | 0 | 112.7 | Q1275 | T1273-Q1275 PolarHBondContact O-N 3.45Å; T1273-Q1275 VanDerWaalsContact O-N 3.12Å |
| 1274 | I | 26.9 | Very low | 27.4 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | -62.2 | 109.8 | 173.4 | -64 | 163.8 | 0 | 0 | 0 | 109.6 | ||||
| 1275 | Q | 29.7 | Very low | 27.5 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -88.2 | 114.4 | 168.4 | -77.1 | -169.4 | -19.7 | 0 | 0 | 110.4 | T1273 F1277 | T1273-Q1275 PolarHBondContact O-N 3.45Å; T1273-Q1275 VanDerWaalsContact O-N 3.12Å; Q1275-F1277 PolarHBondContact O-N 3.33Å | ||
| 1276 | H | 25.1 | Very low | 27.6 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | trans | -65.1 | 121 | 165.5 | -80.1 | -97.4 | 0 | 0 | 0 | 110.2 | ||||
| 1277 | F | 27.8 | Very low | 27.5 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 79% | 0.789 | 81% | 0.806 | S | S | * | * | trans | -123.1 | 108.3 | 158.8 | -92.8 | -79.3 | 0 | 0 | 0 | 110.5 | Q1275 | Q1275-F1277 PolarHBondContact O-N 3.33Š| ||
| 1278 | T | 25 | Very low | 27.6 | Very low | 130 Ų | 130 | 158.3 Ų | 158.3 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | -94.8 | 111.3 | 173.6 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1279 | S | 28.8 | Very low | 27.5 | Very low | 109 Ų | 109 | 160.6 Ų | 160.6 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -163 | 123.6 | 156.4 | 44.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1280 | H | 25.9 | Very low | 27.5 | Very low | 175 Ų | 175 | 162.6 Ų | 162.6 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -73 | 158.4 | 156 | -69.1 | -51.2 | 0 | 0 | 0 | 109.2 | ||||
| 1281 | P | 30.7 | Very low | 27.4 | Very low | 115 Ų | 115 | 165.3 Ų | 165.3 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | -138.4 | 142.2 | 89.7 | 32.1 | -16.5 | 0 | 0 | 0 | 114.5 | |||||
| 1282 | I | 28.8 | Very low | 27.8 | Very low | 150 Ų | 150 | 160.1 Ų | 160.1 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -69.7 | 129.1 | 162.3 | -66.4 | 158.8 | 0 | 0 | 0 | 107.8 | ||||
| 1283 | L | 29.6 | Very low | 27.7 | Very low | 160 Ų | 160 | 162.9 Ų | 162.9 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -125.1 | 116.1 | 171.1 | -112.2 | 164.1 | 0 | 0 | 0 | 109.7 | ||||
| 1284 | H | 24.4 | Very low | 27.7 | Very low | 177 Ų | 177 | 165.5 Ų | 165.5 | 82% | 0.819 | 82% | 0.817 | S | S | * | * | trans | -67.5 | 137.5 | 178.3 | -119.4 | -82.1 | 0 | 0 | 0 | 111.2 | ||||
| 1285 | R | 29.7 | Very low | 27.8 | Very low | 310 Ų | 310 | 166.8 Ų | 166.8 | 100% | 1.17 | 82% | 0.821 | S | S | * | * | trans | -146.6 | 0 | 136 | -148.3 | 175.9 | -163.6 | -179 | 5.3 | 110.5 |
Retrieved 1,285 of 1,285 residues in 193.5 ms
(Link to these results)