| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 60.2 | Low | 69.7 | Low | 213 Ų | 213 | 146.6 Ų | 146.6 | 100% | 1.049 | 66% | 0.662 | S | S | * | * | 0 | -29.3 | 0 | -62.5 | -178.3 | -161.6 | 0 | 0 | 115.4 | R3 | M1-R3 PolarHBondContact O-N 3.33Š| |||
| 2 | R | 63.2 | Low | 70.8 | Confident | 222 Ų | 222 | 145.5 Ų | 145.5 | 84% | 0.838 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.4 | -36 | -178.6 | -74.1 | -176.6 | -176.5 | -179.4 | 1.1 | 115.3 | I4 K5 | R2-I4 PolarHBondContact O-N 3.48Å; R2-K5 PolarHBondContact O-N 3.35Å |
| 3 | R | 64.5 | Low | 71.8 | Confident | 218 Ų | 218 | 140.6 Ų | 140.6 | 82% | 0.823 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.4 | -32.5 | -176.8 | -68 | -160.4 | 179.6 | -156.3 | 2.2 | 114.2 | M1 L6 I7 | M1-R3 PolarHBondContact O-N 3.33Å; R3-L6 PolarHBondContact O-N 3.43Å; R3-I7 WeakPolarHBondContact O-CG1 3.32Å; R3-I7 PolarHBondContact O-N 3.06Å |
| 4 | I | 65.7 | Low | 72.8 | Confident | 118 Ų | 118 | 138.6 Ų | 138.6 | 61% | 0.605 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.3 | -39.1 | -179.4 | -64.3 | 163.9 | 0 | 0 | 0 | 111.1 | R2 L6 I7 W8 | R2-I4 PolarHBondContact O-N 3.48Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.47Å; I4-I7 PolarHBondContact O-N 3.31Å; I4-W8 PolarHBondContact O-N 2.94Å; I4-W8 VanDerWaalsContact O-N 3.16Å |
| 5 | K | 67.1 | Low | 73.6 | Confident | 169 Ų | 169 | 135.1 Ų | 135.1 | 74% | 0.735 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.6 | -36.7 | 176 | -69.8 | -171 | 175.4 | -173.4 | 0 | 112.5 | R2 N9 | R2-K5 PolarHBondContact O-N 3.35Å; K5-N9 WeakPolarHBondContact O-CB 3.41Å; K5-N9 PolarHBondContact O-N 3.41Å |
| 6 | L | 66.6 | Low | 74.2 | Confident | 107 Ų | 107 | 130.4 Ų | 130.4 | 56% | 0.56 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.4 | -39.2 | 177.1 | -93 | 134 | 0 | 0 | 0 | 112.6 | R3 I4 N9 N10 | R3-L6 PolarHBondContact O-N 3.43Å; I4-L6 VanDerWaalsContact C-N 3.31Å; I4-L6 PolarHBondContact O-N 3.47Å; L6-N9 PolarHBondContact O-N 3.34Å; L6-N10 PolarHBondContact O-N 3.3Å; L6-N10 VanDerWaalsContact O-N 3.09Å; L6-N10 PolarHBondContact O-ND2 3.49Å |
| 7 | I | 71.8 | Confident | 74.7 | Confident | 102 Ų | 102 | 127.7 Ų | 127.7 | 52% | 0.523 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.3 | -46.2 | 178.5 | -64.5 | 164.5 | 0 | 0 | 0 | 110.1 | R3 I4 N9 N10 I11 | R3-I7 WeakPolarHBondContact O-CG1 3.32Å; R3-I7 PolarHBondContact O-N 3.06Å; I4-I7 PolarHBondContact O-N 3.31Å; I7-N9 VanDerWaalsContact C-N 3.35Å; I7-N9 PolarHBondContact O-N 3.44Å; I7-N10 PolarHBondContact O-N 3.41Å; I7-I11 HydrophobicContact CG2-CD1 3.79Å; I7-I11 HydrophobicContact CG2-CG1 4.49Å; I7-I11 WeakPolarHBondContact O-CG1 3.26Å; I7-I11 PolarHBondContact O-N 3.34Å |
| 8 | W | 71.7 | Confident | 75 | Confident | 200 Ų | 200 | 128.9 Ų | 128.9 | 76% | 0.758 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.2 | -40.9 | 176.6 | -105.7 | 62.9 | 0 | 0 | 0 | 112.9 | I4 I11 F12 | I4-W8 PolarHBondContact O-N 2.94Å; I4-W8 VanDerWaalsContact O-N 3.16Å; W8-I11 PolarHBondContact O-N 3.4Å; W8-F12 WeakPolarHBondContact O-CB 2.98Å; W8-F12 PolarHBondContact O-N 2.93Å |
| 9 | N | 76.4 | Confident | 75.2 | Confident | 91 Ų | 91 | 127.5 Ų | 127.5 | 49% | 0.487 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.3 | -42.2 | 177.2 | -167.3 | 39.6 | 0 | 0 | 0 | 112.1 | K5 L6 I7 F12 I13 | K5-N9 WeakPolarHBondContact O-CB 3.41Å; K5-N9 PolarHBondContact O-N 3.41Å; L6-N9 PolarHBondContact O-N 3.34Å; I7-N9 VanDerWaalsContact C-N 3.35Å; I7-N9 PolarHBondContact O-N 3.44Å; N9-F12 PolarHBondContact O-N 3.16Å; N9-I13 WeakPolarHBondContact O-CD1 3.22Å; N9-I13 WeakPolarHBondContact O-CG1 3.47Å; N9-I13 PolarHBondContact O-N 3.22Å |
| 10 | N | 77.1 | Confident | 75 | Confident | 86 Ų | 86 | 124.5 Ų | 124.5 | 46% | 0.46 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.7 | -43 | 176.5 | -80.9 | -72.2 | 0 | 0 | 0 | 112 | L6 I7 F12 I13 I14 | L6-N10 PolarHBondContact O-N 3.3Å; L6-N10 VanDerWaalsContact O-N 3.09Å; L6-N10 PolarHBondContact O-ND2 3.49Å; I7-N10 PolarHBondContact O-N 3.41Å; N10-F12 VanDerWaalsContact C-N 3.32Å; N10-F12 PolarHBondContact O-N 3.33Å; N10-I13 PolarHBondContact O-N 3.44Å; N10-I14 WeakPolarHBondContact O-CD1 3.28Å; N10-I14 VanDerWaalsContact O-CG1 3.24Å; N10-I14 WeakPolarHBondContact O-CG1 3.46Å; N10-I14 PolarHBondContact O-N 3.45Å |
| 11 | I | 82.4 | Confident | 74.7 | Confident | 87 Ų | 87 | 122 Ų | 122 | 45% | 0.446 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.3 | -44.9 | 176 | -68.1 | 167.2 | 0 | 0 | 0 | 110.3 | I7 W8 I13 I14 I15 | I7-I11 HydrophobicContact CG2-CD1 3.79Å; I7-I11 HydrophobicContact CG2-CG1 4.49Å; I7-I11 WeakPolarHBondContact O-CG1 3.26Å; I7-I11 PolarHBondContact O-N 3.34Å; W8-I11 PolarHBondContact O-N 3.4Å; I11-I13 PolarHBondContact O-N 3.35Å; I11-I14 PolarHBondContact O-N 2.64Å; I11-I15 HydrophobicContact CG2-CD1 3.7Å; I11-I15 HydrophobicContact CG2-CG1 4.42Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.36Å; I11-I15 PolarHBondContact O-N 3.46Å |
| 12 | F | 82.9 | Confident | 74.9 | Confident | 133 Ų | 133 | 113.8 Ų | 113.8 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.7 | -45.4 | 177.3 | -174.8 | -99.7 | 0 | 0 | 0 | 112.1 | W8 N9 N10 I14 I15 V16 | W8-F12 WeakPolarHBondContact O-CB 2.98Å; W8-F12 PolarHBondContact O-N 2.93Å; N9-F12 PolarHBondContact O-N 3.16Å; N10-F12 VanDerWaalsContact C-N 3.32Å; N10-F12 PolarHBondContact O-N 3.33Å; F12-I14 PolarHBondContact O-N 3.15Å; F12-I15 PolarHBondContact O-N 3.12Å; F12-V16 HydrophobicContact CD1-CG2 4.13Å; F12-V16 HydrophobicContact CE1-CG2 3.76Å; F12-V16 HydrophobicContact CE2-CG2 4.39Å; F12-V16 HydrophobicContact CZ-CG2 3.9Å; F12-V16 VanDerWaalsContact O-CG2 3.32Å; F12-V16 WeakPolarHBondContact O-CG2 3.24Å; F12-V16 PolarHBondContact O-N 2.91Å |
| 13 | I | 84.2 | Confident | 74.8 | Confident | 82 Ų | 82 | 106.5 Ų | 106.5 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 176.8 | -67.7 | 163.9 | 0 | 0 | 0 | 110.9 | N9 N10 I11 I15 V16 V17 | N9-I13 WeakPolarHBondContact O-CD1 3.22Å; N9-I13 WeakPolarHBondContact O-CG1 3.47Å; N9-I13 PolarHBondContact O-N 3.22Å; N10-I13 PolarHBondContact O-N 3.44Å; I11-I13 PolarHBondContact O-N 3.35Å; I13-I15 VanDerWaalsContact C-N 3.34Å; I13-I15 PolarHBondContact O-N 3.4Å; I13-V16 PolarHBondContact O-N 3.4Å; I13-V17 HydrophobicContact CG2-CG2 4.38Å; I13-V17 VanDerWaalsContact O-CG2 3.31Å; I13-V17 WeakPolarHBondContact O-CG2 3.46Å; I13-V17 PolarHBondContact O-N 3.3Å |
| 14 | I | 84.7 | Confident | 74.5 | Confident | 113 Ų | 113 | 102.5 Ų | 102.5 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.3 | -44 | 179.1 | -67.3 | 164.1 | 0 | 0 | 0 | 110.8 | N10 I11 F12 V17 F18 | N10-I14 WeakPolarHBondContact O-CD1 3.28Å; N10-I14 VanDerWaalsContact O-CG1 3.24Å; N10-I14 WeakPolarHBondContact O-CG1 3.46Å; N10-I14 PolarHBondContact O-N 3.45Å; I11-I14 PolarHBondContact O-N 2.64Å; F12-I14 PolarHBondContact O-N 3.15Å; I14-V17 PolarHBondContact O-N 3.47Å; I14-F18 WeakPolarHBondContact O-CB 3.48Å; I14-F18 PolarHBondContact O-N 3.45Å |
| 15 | I | 84.7 | Confident | 74.2 | Confident | 86 Ų | 86 | 101.9 Ų | 101.9 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 177.9 | -68.3 | 167 | 0 | 0 | 0 | 110.6 | I11 F12 I13 V17 F18 I19 | I11-I15 HydrophobicContact CG2-CD1 3.7Å; I11-I15 HydrophobicContact CG2-CG1 4.42Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.36Å; I11-I15 PolarHBondContact O-N 3.46Å; F12-I15 PolarHBondContact O-N 3.12Å; I13-I15 VanDerWaalsContact C-N 3.34Å; I13-I15 PolarHBondContact O-N 3.4Å; I15-V17 PolarHBondContact O-N 3.31Å; I15-F18 PolarHBondContact O-N 3.28Å; I15-I19 HydrophobicContact CG2-CD1 3.73Å; I15-I19 HydrophobicContact CG2-CG1 4.41Å; I15-I19 VanDerWaalsContact O-CG1 3.28Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 3.49Å |
| 16 | V | 83.8 | Confident | 73.3 | Confident | 60 Ų | 60 | 101.8 Ų | 101.8 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 178 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | F12 I13 F18 I19 C20 | F12-V16 HydrophobicContact CD1-CG2 4.13Å; F12-V16 HydrophobicContact CE1-CG2 3.76Å; F12-V16 HydrophobicContact CE2-CG2 4.39Å; F12-V16 HydrophobicContact CZ-CG2 3.9Å; F12-V16 VanDerWaalsContact O-CG2 3.32Å; F12-V16 WeakPolarHBondContact O-CG2 3.24Å; F12-V16 PolarHBondContact O-N 2.91Å; I13-V16 PolarHBondContact O-N 3.4Å; V16-F18 VanDerWaalsContact C-N 3.34Å; V16-F18 PolarHBondContact O-N 2.74Å; V16-I19 PolarHBondContact O-N 3.39Å; V16-C20 WeakPolarHBondContact O-CB 3.5Å; V16-C20 PolarHBondContact O-N 3.3Å; V16-C20 PolarHBondContact O-SG 3.46Å; V16-C20 VanDerWaalsContact O-SG 3.33Å |
| 17 | V | 82.4 | Confident | 72.6 | Confident | 84 Ų | 84 | 105.4 Ų | 105.4 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | I13 I14 I15 C20 T21 | I13-V17 HydrophobicContact CG2-CG2 4.38Å; I13-V17 VanDerWaalsContact O-CG2 3.31Å; I13-V17 WeakPolarHBondContact O-CG2 3.46Å; I13-V17 PolarHBondContact O-N 3.3Å; I14-V17 PolarHBondContact O-N 3.47Å; I15-V17 PolarHBondContact O-N 3.31Å; V17-C20 PolarHBondContact O-N 2.97Å; V17-T21 HydrophobicContact CG1-CG2 4.43Å; V17-T21 WeakPolarHBondContact O-CG2 3.33Å; V17-T21 PolarHBondContact O-N 3.3Å; V17-T21 PolarHBondContact O-OG1 2.92Å |
| 18 | F | 79.9 | Confident | 71.8 | Confident | 150 Ų | 150 | 103.2 Ų | 103.2 | 66% | 0.658 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 177.4 | -169.9 | -98.3 | 0 | 0 | 0 | 111.9 | I14 I15 V16 T21 S22 | I14-F18 WeakPolarHBondContact O-CB 3.48Å; I14-F18 PolarHBondContact O-N 3.45Å; I15-F18 PolarHBondContact O-N 3.28Å; V16-F18 VanDerWaalsContact C-N 3.34Å; V16-F18 PolarHBondContact O-N 2.74Å; F18-T21 PolarHBondContact O-OG1 2.91Å; F18-S22 WeakPolarHBondContact O-CB 3.31Å; F18-S22 PolarHBondContact O-N 2.95Å; F18-S22 PolarHBondContact O-OG 3.46Å |
| 19 | I | 78.5 | Confident | 71 | Confident | 101 Ų | 101 | 98 Ų | 98 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 175.4 | -66.6 | 166.9 | 0 | 0 | 0 | 110.5 | I15 V16 T21 S22 S23 | I15-I19 HydrophobicContact CG2-CD1 3.73Å; I15-I19 HydrophobicContact CG2-CG1 4.41Å; I15-I19 VanDerWaalsContact O-CG1 3.28Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 3.49Å; V16-I19 PolarHBondContact O-N 3.39Å; I19-T21 PolarHBondContact O-N 2.94Å; I19-S22 PolarHBondContact O-N 3.29Å; I19-S22 PolarHBondContact O-OG 2.94Å; I19-S23 PolarHBondContact O-N 3Å; I19-S23 VanDerWaalsContact O-N 3.12Å |
| 20 | C | 71.9 | Confident | 70 | Confident | 68 Ų | 68 | 100.6 Ų | 100.6 | 46% | 0.459 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 179.1 | -73 | 0 | 0 | 0 | 0 | 112.2 | V16 V17 S22 S23 E24 | V16-C20 WeakPolarHBondContact O-CB 3.5Å; V16-C20 PolarHBondContact O-N 3.3Å; V16-C20 PolarHBondContact O-SG 3.46Å; V16-C20 VanDerWaalsContact O-SG 3.33Å; V17-C20 PolarHBondContact O-N 2.97Å; C20-S22 VanDerWaalsContact C-N 3.33Å; C20-S22 PolarHBondContact O-N 3.44Å; C20-S23 PolarHBondContact O-N 3.29Å; C20-S23 VanDerWaalsContact O-N 3.15Å; C20-S23 PolarHBondContact O-OG 2.96Å; C20-E24 PolarHBondContact O-N 2.92Å |
| 21 | T | 69.1 | Low | 69.5 | Low | 71 Ų | 71 | 99.7 Ų | 99.7 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 179.9 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | V17 F18 I19 S23 E24 F25 | V17-T21 HydrophobicContact CG1-CG2 4.43Å; V17-T21 WeakPolarHBondContact O-CG2 3.33Å; V17-T21 PolarHBondContact O-N 3.3Å; V17-T21 PolarHBondContact O-OG1 2.92Å; F18-T21 PolarHBondContact O-OG1 2.91Å; I19-T21 PolarHBondContact O-N 2.94Å; T21-S23 VanDerWaalsContact C-N 3.32Å; T21-S23 PolarHBondContact O-N 3.09Å; T21-E24 PolarHBondContact O-N 2.84Å; T21-F25 PolarHBondContact O-N 3.47Å |
| 22 | S | 64.5 | Low | 69.1 | Low | 42 Ų | 42 | 100.6 Ų | 100.6 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 174.7 | 76.1 | 0 | 0 | 0 | 0 | 112 | F18 I19 C20 E24 F25 W26 | F18-S22 WeakPolarHBondContact O-CB 3.31Å; F18-S22 PolarHBondContact O-N 2.95Å; F18-S22 PolarHBondContact O-OG 3.46Å; I19-S22 PolarHBondContact O-N 3.29Å; I19-S22 PolarHBondContact O-OG 2.94Å; C20-S22 VanDerWaalsContact C-N 3.33Å; C20-S22 PolarHBondContact O-N 3.44Å; S22-E24 VanDerWaalsContact C-N 3.3Å; S22-E24 PolarHBondContact O-N 2.03Å; S22-F25 WeakPolarHBondContact O-CB 3.46Å; S22-F25 PolarHBondContact O-N 3.33Å; S22-F25 VanDerWaalsContact O-N 3.16Å; S22-W26 PolarHBondContact O-N 3.35Å; S22-W26 VanDerWaalsContact O-N 3.11Å |
| 23 | S | 61.9 | Low | 69 | Low | 68 Ų | 68 | 97.4 Ų | 97.4 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -33.2 | -178.7 | 73.6 | 0 | 0 | 0 | 0 | 113.3 | I19 C20 T21 R27 | I19-S23 PolarHBondContact O-N 3Å; I19-S23 VanDerWaalsContact O-N 3.12Å; C20-S23 PolarHBondContact O-N 3.29Å; C20-S23 VanDerWaalsContact O-N 3.15Å; C20-S23 PolarHBondContact O-OG 2.96Å; T21-S23 VanDerWaalsContact C-N 3.32Å; T21-S23 PolarHBondContact O-N 3.09Å; S23-R27 PolarHBondContact O-N 3.26Å |
| 24 | E | 58.2 | Low | 68.9 | Low | 134 Ų | 134 | 97 Ų | 97 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.1 | -38.5 | 175.3 | -62.1 | -172.8 | 104.9 | 0 | 0 | 111.7 | C20 T21 S22 R27 | C20-E24 PolarHBondContact O-N 2.92Å; T21-E24 PolarHBondContact O-N 2.84Å; S22-E24 VanDerWaalsContact C-N 3.3Å; S22-E24 PolarHBondContact O-N 2.03Å; E24-R27 PolarHBondContact O-N 3.36Å |
| 25 | F | 57.6 | Low | 68.9 | Low | 106 Ų | 106 | 96.9 Ų | 96.9 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 176.8 | -175.5 | -100.9 | 0 | 0 | 0 | 112.2 | T21 S22 R27 F45 | T21-F25 PolarHBondContact O-N 3.47Å; S22-F25 WeakPolarHBondContact O-CB 3.46Å; S22-F25 PolarHBondContact O-N 3.33Å; S22-F25 VanDerWaalsContact O-N 3.16Å; F25-R27 VanDerWaalsContact C-N 3.32Å; F25-R27 PolarHBondContact O-N 3.3Å; F25-F45 HydrophobicContact CZ-CB 4.06Å; F25-F45 HydrophobicContact CZ-CD2 4.02Å; F25-F45 HydrophobicContact CZ-CG 4.29Å |
| 26 | W | 48.8 | Very low | 69 | Low | 167 Ų | 167 | 97 Ų | 97 | 63% | 0.633 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.8 | -26.2 | 177.8 | -67.3 | 109.8 | 0 | 0 | 0 | 113.4 | S22 E28 N29 | S22-W26 PolarHBondContact O-N 3.35Å; S22-W26 VanDerWaalsContact O-N 3.11Å; W26-E28 PolarHBondContact O-N 3.11Å; W26-N29 PolarHBondContact O-N 3.44Å |
| 27 | R | 52.3 | Low | 69.1 | Low | 183 Ų | 183 | 96.8 Ų | 96.8 | 69% | 0.691 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -32.1 | 179.8 | -159.3 | 160.2 | 81.1 | -170.7 | 4.5 | 112 | S23 E24 F25 N29 N30 L31 | S23-R27 PolarHBondContact O-N 3.26Å; E24-R27 PolarHBondContact O-N 3.36Å; F25-R27 VanDerWaalsContact C-N 3.32Å; F25-R27 PolarHBondContact O-N 3.3Å; R27-N29 VanDerWaalsContact C-N 3.31Å; R27-N29 PolarHBondContact O-N 3.46Å; R27-N30 PolarHBondContact O-N 3.35Å; R27-L31 HydrophobicContact CG-CD1 4.4Å; R27-L31 WeakPolarHBondContact O-CD1 3.04Å |
| 28 | E | 55.2 | Low | 69.3 | Low | 55 Ų | 55 | 95.1 Ų | 95.1 | 26% | 0.257 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -62.7 | -32.7 | -178.4 | -164.5 | 108.1 | 104.4 | 0 | 0 | 113.4 | W26 N30 L31 S46 | W26-E28 PolarHBondContact O-N 3.11Å; E28-N30 VanDerWaalsContact C-N 3.29Å; E28-N30 PolarHBondContact O-N 3.48Å; E28-L31 PolarHBondContact O-N 3.05Å; E28-S46 WeakPolarHBondContact CG-OG 3.01Å; E28-S46 WeakPolarHBondContact OE1-CB 3.35Å; E28-S46 PolarHBondContact OE1-OG 3.16Å |
| 29 | N | 54 | Low | 69.6 | Low | 90 Ų | 90 | 93.4 Ų | 93.4 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -72.9 | -19.2 | -176.9 | -75.9 | -65.5 | 0 | 0 | 0 | 114 | W26 R27 F45 | W26-N29 PolarHBondContact O-N 3.44Å; R27-N29 VanDerWaalsContact C-N 3.31Å; R27-N29 PolarHBondContact O-N 3.46Å; N29-F45 PolarHBondContact OD1-O 3.35Å |
| 30 | N | 56.5 | Low | 69.9 | Low | 147 Ų | 147 | 88.6 Ų | 88.6 | 79% | 0.786 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -102.7 | 6.7 | 177.7 | -74.7 | -63.5 | 0 | 0 | 0 | 113 | R27 E28 | R27-N30 PolarHBondContact O-N 3.35Å; E28-N30 VanDerWaalsContact C-N 3.29Å; E28-N30 PolarHBondContact O-N 3.48Å |
| 31 | L | 65 | Low | 70.2 | Confident | 67 Ų | 67 | 90.8 Ų | 90.8 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -69.8 | 136.9 | 174.3 | -95.5 | 70.7 | 0 | 0 | 0 | 109.4 | R27 E28 C33 | R27-L31 HydrophobicContact CG-CD1 4.4Å; R27-L31 WeakPolarHBondContact O-CD1 3.04Å; E28-L31 PolarHBondContact O-N 3.05Å; L31-C33 PolarHBondContact O-N 3Å |
| 32 | P | 74.7 | Confident | 70.2 | Confident | 105 Ų | 105 | 89.8 Ų | 89.8 | 68% | 0.682 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 145 | 170.8 | 25.1 | -33.5 | 0 | 0 | 0 | 109.1 | Q47 | P32-Q47 PolarHBondContact O-NE2 2.81Š|
| 33 | C | 81.4 | Confident | 70.3 | Confident | 67 Ų | 67 | 90.8 Ų | 90.8 | 45% | 0.453 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 152.8 | 175.5 | 64.6 | 0 | 0 | 0 | 0 | 110.1 | L31 R48 C50 | L31-C33 PolarHBondContact O-N 3Å; C33-R48 WeakPolarHBondContact CA-O 3.45Å; C33-C50 HydrophobicContact CB-CB 3.83Å; C33-C50 WeakPolarHBondContact CB-SG 3.44Å; C33-C50 PolarHBondContact O-SG 2.82Å; C33-C50 WeakPolarHBondContact SG-CA 3.26Å; C33-C50 WeakPolarHBondContact SG-CB 3.39Å; C33-C50 CovalentContact SG-SG 2.03Å; C33-C50 PolarHBondContact SG-SG 3.23Å |
| 34 | K | 80.9 | Confident | 70.2 | Confident | 72 Ų | 72 | 93 Ų | 93 | 31% | 0.313 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -90.7 | 127.3 | -176.6 | -78.8 | -72.5 | 173 | 176.2 | 0 | 110.5 | T38 Q47 R48 C49 C50 | K34-T38 VanDerWaalsContact CB-OG1 3.26Å; K34-T38 WeakPolarHBondContact CB-OG1 3.44Å; K34-Q47 HydrophobicContact CB-CG 4.42Å; K34-Q47 VanDerWaalsContact CE-OE1 3.28Å; K34-Q47 HydrophobicContact CG-CG 3.55Å; K34-R48 PolarHBondContact N-O 3.29Å; K34-C49 CarbonylContact O-C 3.59Å; K34-C49 WeakPolarHBondContact O-CA 2.95Å; K34-C50 PolarHBondContact O-N 2.03Å |
| 35 | N | 84.6 | Confident | 70.1 | Confident | 112 Ų | 112 | 93.2 Ų | 93.2 | 60% | 0.599 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 160.8 | 177.9 | -75 | -49.2 | 0 | 0 | 0 | 111.7 | G37 T38 C65 | N35-G37 PolarHBondContact O-N 2.63Å; N35-T38 HydrophobicContact CB-CG2 4.08Å; N35-T38 PolarHBondContact N-OG1 3.04Å; N35-T38 WeakPolarHBondContact O-CB 3.39Å; N35-T38 WeakPolarHBondContact O-CG2 3.45Å; N35-T38 PolarHBondContact O-N 3.36Å; N35-T38 VanDerWaalsContact O-N 3.1Å; N35-T38 PolarHBondContact O-OG1 2.62Å; N35-C65 WeakPolarHBondContact O-CB 2.94Å |
| 36 | L | 88.4 | Confident | 70 | Confident | 88 Ų | 88 | 89 Ų | 89 | 46% | 0.461 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 137.1 | 174.4 | -169.8 | 74.4 | 0 | 0 | 0 | 110.9 | T38 T53 R67 | L36-T38 PolarHBondContact O-N 3.38Å; L36-T53 HydrophobicContact CD1-CG2 3.97Å; L36-R67 HydrophobicContact CD1-CG 3.68Å; L36-R67 HydrophobicContact CD2-CG 4.08Å |
| 37 | G | 86.2 | Confident | 70.6 | Confident | 55 Ų | 55 | 82.3 Ų | 82.3 | 57% | 0.567 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N35 T64 C65 | N35-G37 PolarHBondContact O-N 2.63Å; G37-T64 WeakPolarHBondContact O-CG2 3.49Å; G37-C65 PolarHBondContact N-O 3.03Å |
| 38 | T | 86.2 | Confident | 71.6 | Confident | 49 Ų | 49 | 83.7 Ų | 83.7 | 30% | 0.301 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -88.1 | 158.8 | 177.6 | 67.7 | 0 | 0 | 0 | 0 | 112.3 | K34 N35 L36 T64 C65 | K34-T38 VanDerWaalsContact CB-OG1 3.26Å; K34-T38 WeakPolarHBondContact CB-OG1 3.44Å; N35-T38 HydrophobicContact CB-CG2 4.08Å; N35-T38 PolarHBondContact N-OG1 3.04Å; N35-T38 WeakPolarHBondContact O-CB 3.39Å; N35-T38 WeakPolarHBondContact O-CG2 3.45Å; N35-T38 PolarHBondContact O-N 3.36Å; N35-T38 VanDerWaalsContact O-N 3.1Å; N35-T38 PolarHBondContact O-OG1 2.62Å; L36-T38 PolarHBondContact O-N 3.38Å; T38-T64 WeakPolarHBondContact O-CA 3.39Å; T38-C65 PolarHBondContact O-N 3.2Å |
| 39 | F | 84.9 | Confident | 72.8 | Confident | 115 Ų | 115 | 81.6 Ų | 81.6 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 136.2 | 179.1 | 177.3 | -95.4 | 0 | 0 | 0 | 112 | R41 S62 G63 | F39-R41 HydrophobicContact CD1-CG 4.41Å; F39-R41 HydrophobicContact CE1-CG 3.43Å; F39-R41 VanDerWaalsContact CE1-CG 3.43Å; F39-R41 HydrophobicContact CZ-CG 3.72Å; F39-S62 WeakPolarHBondContact CE2-OG 3.46Å; F39-G63 WeakPolarHBondContact CA-O 2.9Å |
| 40 | C | 84.9 | Confident | 74.2 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 156.5 | 177.1 | 60.7 | 0 | 0 | 0 | 0 | 111.6 | C55 G63 T64 | C40-C55 HydrophobicContact CB-CB 3.93Å; C40-C55 WeakPolarHBondContact CB-SG 3.45Å; C40-C55 WeakPolarHBondContact SG-CA 2.98Å; C40-C55 WeakPolarHBondContact SG-CB 3.39Å; C40-C55 CovalentContact SG-SG 2.03Å; C40-C55 PolarHBondContact SG-SG 2.58Å; C40-G63 PolarHBondContact N-O 3.1Å; C40-G63 PolarHBondContact O-N 3.49Å; C40-T64 PolarHBondContact SG-N 3.44Å |
| 41 | R | 79.3 | Confident | 75.4 | Confident | 114 Ų | 114 | 78.7 Ų | 78.7 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | trans | -127.8 | 127.3 | 174.7 | -60.8 | -175.8 | 68.5 | -175.3 | -0.5 | 109.8 | F39 L43 F61 | F39-R41 HydrophobicContact CD1-CG 4.41Å; F39-R41 HydrophobicContact CE1-CG 3.43Å; F39-R41 VanDerWaalsContact CE1-CG 3.43Å; F39-R41 HydrophobicContact CZ-CG 3.72Å; R41-L43 HydrophobicContact CB-CD1 3.67Å; R41-L43 PolarHBondContact O-N 2.84Å; R41-F61 VanDerWaalsContact CA-O 3.23Å; R41-F61 WeakPolarHBondContact CA-O 3.15Å; R41-F61 WeakPolarHBondContact CB-O 3.26Å; R41-F61 VanDerWaalsContact CG-O 3.24Å; R41-F61 WeakPolarHBondContact CG-O 3.41Å | ||
| 42 | K | 68.6 | Low | 76.1 | Confident | 50 Ų | 50 | 81 Ų | 81 | 22% | 0.217 | 43% | 0.429 | C | S | . | . | trans | -91.1 | 76.8 | 178.5 | -161.2 | 164 | -172.4 | 168.9 | 0 | 109.5 | L57 L76 E80 | K42-L57 HydrophobicContact CB-CD1 3.9Å; K42-L57 HydrophobicContact CB-CD2 4.02Å; K42-L57 HydrophobicContact CB-CG 4.29Å; K42-L57 HydrophobicContact CD-CD1 3.39Å; K42-L57 HydrophobicContact CG-CD1 4.28Å; K42-L76 VanDerWaalsContact CE-CD1 3.47Å; K42-E80 IonicContact NZ-OE1 3.16Å; K42-E80 PolarHBondContact NZ-OE1 2.02Å; K42-E80 VanDerWaalsContact NZ-OE1 3.16Å; K42-E80 IonicContact NZ-OE2 3.74Å | ||
| 43 | L | 67.7 | Low | 76.6 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | trans | -90.4 | 151.7 | 160.8 | -57.4 | 89.4 | 0 | 0 | 0 | 108.6 | R41 F45 S46 | R41-L43 HydrophobicContact CB-CD1 3.67Å; R41-L43 PolarHBondContact O-N 2.84Å; L43-F45 PolarHBondContact O-N 2.02Å; L43-S46 PolarHBondContact O-N 3.08Å; L43-S46 VanDerWaalsContact O-N 3.08Å | ||
| 44 | P | 59.6 | Low | 76.9 | Confident | 115 Ų | 115 | 75 Ų | 75 | 75% | 0.747 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -20.7 | -177.3 | 16.6 | -31.5 | 0 | 0 | 0 | 114.9 | ||
| 45 | F | 55.1 | Low | 77.2 | Confident | 138 Ų | 138 | 72.3 Ų | 72.3 | 61% | 0.605 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.8 | 24 | -179.1 | -55.7 | -75.5 | 0 | 0 | 0 | 113.3 | F25 N29 L43 | F25-F45 HydrophobicContact CZ-CB 4.06Å; F25-F45 HydrophobicContact CZ-CD2 4.02Å; F25-F45 HydrophobicContact CZ-CG 4.29Å; N29-F45 PolarHBondContact OD1-O 3.35Å; L43-F45 PolarHBondContact O-N 2.02Å |
| 46 | S | 56.3 | Low | 77.4 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 12% | 0.119 | 35% | 0.353 | C | S | . | . | trans | -106.8 | 173.4 | -171.3 | 179.1 | 0 | 0 | 0 | 0 | 115 | E28 L43 R48 | E28-S46 WeakPolarHBondContact CG-OG 3.01Å; E28-S46 WeakPolarHBondContact OE1-CB 3.35Å; E28-S46 PolarHBondContact OE1-OG 3.16Å; L43-S46 PolarHBondContact O-N 3.08Å; L43-S46 VanDerWaalsContact O-N 3.08Å; S46-R48 PolarHBondContact O-N 3.43Å | ||
| 47 | Q | 61 | Low | 77.3 | Confident | 28 Ų | 28 | 64.9 Ų | 64.9 | 13% | 0.131 | 34% | 0.339 | C | S | . | . | trans | -29.9 | 114.5 | 179.7 | -177.3 | 150.7 | 57.1 | 0 | 0 | 114.2 | P32 K34 | P32-Q47 PolarHBondContact O-NE2 2.81Å; K34-Q47 HydrophobicContact CB-CG 4.42Å; K34-Q47 VanDerWaalsContact CE-OE1 3.28Å; K34-Q47 HydrophobicContact CG-CG 3.55Å | ||
| 48 | R | 73 | Confident | 77.1 | Confident | 211 Ų | 211 | 68.9 Ų | 68.9 | 80% | 0.796 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 144.5 | 173.6 | -61.8 | -176.7 | -176.1 | 170.7 | 3.6 | 110.2 | C33 K34 S46 | C33-R48 WeakPolarHBondContact CA-O 3.45Å; K34-R48 PolarHBondContact N-O 3.29Å; S46-R48 PolarHBondContact O-N 3.43Å |
| 49 | C | 81.4 | Confident | 76.7 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 146.9 | 162.8 | -55.7 | 0 | 0 | 0 | 0 | 108.8 | K34 T53 C65 | K34-C49 CarbonylContact O-C 3.59Å; K34-C49 WeakPolarHBondContact O-CA 2.95Å; C49-T53 WeakPolarHBondContact CB-OG1 3.14Å; C49-C65 VanDerWaalsContact CA-SG 3.56Å; C49-C65 HydrophobicContact CB-CB 3.57Å; C49-C65 WeakPolarHBondContact CB-SG 3.38Å; C49-C65 WeakPolarHBondContact SG-CA 3.47Å; C49-C65 WeakPolarHBondContact SG-CB 3.4Å; C49-C65 CovalentContact SG-SG 2.02Å; C49-C65 PolarHBondContact SG-SG 2.9Å |
| 50 | C | 83.1 | Confident | 76.2 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -63.4 | 147.8 | -179 | -64 | 0 | 0 | 0 | 0 | 111.1 | C33 K34 T53 | C33-C50 HydrophobicContact CB-CB 3.83Å; C33-C50 WeakPolarHBondContact CB-SG 3.44Å; C33-C50 PolarHBondContact O-SG 2.82Å; C33-C50 WeakPolarHBondContact SG-CA 3.26Å; C33-C50 WeakPolarHBondContact SG-CB 3.39Å; C33-C50 CovalentContact SG-SG 2.03Å; C33-C50 PolarHBondContact SG-SG 3.23Å; K34-C50 PolarHBondContact O-N 2.03Å; C50-T53 WeakPolarHBondContact O-CB 3.01Å; C50-T53 WeakPolarHBondContact O-CG2 3.43Å; C50-T53 PolarHBondContact O-N 3.33Å; C50-T53 PolarHBondContact O-OG1 3.38Å |
| 51 | D | 80.5 | Confident | 75.8 | Confident | 152 Ų | 152 | 74.2 Ų | 74.2 | 81% | 0.813 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -143.4 | 172.1 | -152.5 | -92 | 0 | 0 | 0 | 113.5 | T53 | D51-T53 PolarHBondContact O-N 2.93Š|
| 52 | T | 80.2 | Confident | 76 | Confident | 115 Ų | 115 | 70.5 Ų | 70.5 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 13.9 | 176.8 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 53 | T | 85.4 | Confident | 76.9 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 17% | 0.166 | 36% | 0.361 | C | S | . | . | trans | -78.3 | 155.3 | -177.5 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | L36 C49 C50 D51 V66 | L36-T53 HydrophobicContact CD1-CG2 3.97Å; C49-T53 WeakPolarHBondContact CB-OG1 3.14Å; C50-T53 WeakPolarHBondContact O-CB 3.01Å; C50-T53 WeakPolarHBondContact O-CG2 3.43Å; C50-T53 PolarHBondContact O-N 3.33Å; C50-T53 PolarHBondContact O-OG1 3.38Å; D51-T53 PolarHBondContact O-N 2.93Å; T53-V66 CarbonylContact C-O 3.58Å; T53-V66 WeakPolarHBondContact CA-O 3.09Å; T53-V66 VanDerWaalsContact CB-O 3.26Å; T53-V66 WeakPolarHBondContact CB-O 3.24Å | ||
| 54 | V | 86.9 | Confident | 78 | Confident | 19 Ų | 19 | 66.6 Ų | 66.6 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.3 | -172.6 | -64 | 0 | 0 | 0 | 0 | 110.3 | D56 V66 L69 E80 | V54-D56 PolarHBondContact O-N 2.9Å; V54-V66 HydrophobicContact CG2-CG2 3.88Å; V54-V66 PolarHBondContact N-O 2.9Å; V54-V66 PolarHBondContact O-N 3.09Å; V54-L69 HydrophobicContact CG2-CD2 4.03Å; V54-L69 HydrophobicContact CG2-CG 3.78Å; V54-E80 HydrophobicContact CB-CB 4.43Å; V54-E80 HydrophobicContact CG1-CB 3.94Å; V54-E80 HydrophobicContact CG1-CG 3.86Å |
| 55 | C | 87.5 | Confident | 79.4 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 10% | 0.101 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 107.4 | 178.5 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | C40 L57 | C40-C55 HydrophobicContact CB-CB 3.93Å; C40-C55 WeakPolarHBondContact CB-SG 3.45Å; C40-C55 WeakPolarHBondContact SG-CA 2.98Å; C40-C55 WeakPolarHBondContact SG-CB 3.39Å; C40-C55 CovalentContact SG-SG 2.03Å; C40-C55 PolarHBondContact SG-SG 2.58Å; C55-L57 WeakPolarHBondContact O-CD1 3.23Å; C55-L57 PolarHBondContact O-N 3.37Å |
| 56 | D | 89.3 | Confident | 81.2 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.059 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 105.2 | 171.4 | 174.4 | 29 | 0 | 0 | 0 | 109.6 | V54 K58 G63 T64 V66 L69 R73 | V54-D56 PolarHBondContact O-N 2.9Å; D56-K58 PolarHBondContact O-N 3.34Å; D56-G63 CarbonylContact O-C 3.15Å; D56-G63 WeakPolarHBondContact O-CA 3.49Å; D56-T64 PolarHBondContact N-O 2.97Å; D56-T64 PolarHBondContact O-N 3.02Å; D56-V66 HydrophobicContact CB-CG1 4.06Å; D56-V66 HydrophobicContact CB-CG2 3.68Å; D56-L69 HydrophobicContact CB-CD2 3.7Å; D56-R73 VanDerWaalsContact CG-NH1 3.28Å; D56-R73 VanDerWaalsContact OD1-CD 3.24Å; D56-R73 WeakPolarHBondContact OD1-CD 3.4Å; D56-R73 IonicContact OD1-CZ 3.6Å; D56-R73 IonicContact OD1-NE 3.65Å; D56-R73 IonicContact OD1-NH1 2.96Å; D56-R73 PolarHBondContact OD1-NH1 2.83Å; D56-R73 IonicContact OD2-CZ 3.24Å; D56-R73 VanDerWaalsContact OD2-CZ 3.24Å; D56-R73 IonicContact OD2-NE 3.76Å; D56-R73 IonicContact OD2-NH1 2.84Å; D56-R73 PolarHBondContact OD2-NH1 3.23Å; D56-R73 IonicContact OD2-NH2 3.81Å |
| 57 | L | 85.4 | Confident | 82.8 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 115.5 | 177.7 | -74.3 | 95.2 | 0 | 0 | 0 | 110.2 | K42 C55 S62 F74 | K42-L57 HydrophobicContact CB-CD1 3.9Å; K42-L57 HydrophobicContact CB-CD2 4.02Å; K42-L57 HydrophobicContact CB-CG 4.29Å; K42-L57 HydrophobicContact CD-CD1 3.39Å; K42-L57 HydrophobicContact CG-CD1 4.28Å; C55-L57 WeakPolarHBondContact O-CD1 3.23Å; C55-L57 PolarHBondContact O-N 3.37Å; L57-S62 WeakPolarHBondContact CA-O 3.22Å; L57-F74 HydrophobicContact CD1-CD1 4.26Å |
| 58 | K | 82.9 | Confident | 84.2 | Confident | 138 Ų | 138 | 65.9 Ų | 65.9 | 60% | 0.6 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | -22.2 | 169.3 | -66.4 | 177.7 | 179.5 | 168.3 | 0 | 111.5 | D56 S62 T64 | D56-K58 PolarHBondContact O-N 3.34Å; K58-S62 PolarHBondContact N-O 3.34Å; K58-T64 PolarHBondContact NZ-OG1 3.3Å |
| 59 | A | 78.4 | Confident | 85 | Confident | 43 Ų | 43 | 55.9 Ų | 55.9 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 162.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F61 S62 | A59-F61 PolarHBondContact O-N 2.85Å; A59-F61 VanDerWaalsContact O-N 3.09Å; A59-S62 PolarHBondContact N-O 2.84Å; A59-S62 PolarHBondContact O-N 2.84Å |
| 60 | P | 74.3 | Confident | 85.4 | Confident | 113 Ų | 113 | 60.7 Ų | 60.7 | 73% | 0.734 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 120.2 | 173.3 | 19.4 | -30.7 | 0 | 0 | 0 | 110.5 | S62 | P60-S62 PolarHBondContact O-N 3.41Š|
| 61 | F | 75.5 | Confident | 85.8 | Confident | 120 Ų | 120 | 65.8 Ų | 65.8 | 53% | 0.526 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 16.7 | -177.5 | -46.1 | -77.5 | 0 | 0 | 0 | 116.2 | R41 A59 | R41-F61 VanDerWaalsContact CA-O 3.23Å; R41-F61 WeakPolarHBondContact CA-O 3.15Å; R41-F61 WeakPolarHBondContact CB-O 3.26Å; R41-F61 VanDerWaalsContact CG-O 3.24Å; R41-F61 WeakPolarHBondContact CG-O 3.41Å; A59-F61 PolarHBondContact O-N 2.85Å; A59-F61 VanDerWaalsContact O-N 3.09Å |
| 62 | S | 83.8 | Confident | 86.1 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 131.5 | -174.8 | 165 | 0 | 0 | 0 | 0 | 111.3 | F39 L57 K58 A59 P60 | F39-S62 WeakPolarHBondContact CE2-OG 3.46Å; L57-S62 WeakPolarHBondContact CA-O 3.22Å; K58-S62 PolarHBondContact N-O 3.34Å; A59-S62 PolarHBondContact N-O 2.84Å; A59-S62 PolarHBondContact O-N 2.84Å; P60-S62 PolarHBondContact O-N 3.41Å |
| 63 | G | 88.8 | Confident | 86.5 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | -170.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F39 C40 D56 | F39-G63 WeakPolarHBondContact CA-O 2.9Å; C40-G63 PolarHBondContact N-O 3.1Å; C40-G63 PolarHBondContact O-N 3.49Å; D56-G63 CarbonylContact O-C 3.15Å; D56-G63 WeakPolarHBondContact O-CA 3.49Å |
| 64 | T | 90 | Very high | 86.6 | Confident | 29 Ų | 29 | 62.1 Ų | 62.1 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141 | 177 | -49.9 | 0 | 0 | 0 | 0 | 110.3 | G37 T38 C40 D56 K58 V66 | G37-T64 WeakPolarHBondContact O-CG2 3.49Å; T38-T64 WeakPolarHBondContact O-CA 3.39Å; C40-T64 PolarHBondContact SG-N 3.44Å; D56-T64 PolarHBondContact N-O 2.97Å; D56-T64 PolarHBondContact O-N 3.02Å; K58-T64 PolarHBondContact NZ-OG1 3.3Å; T64-V66 PolarHBondContact O-N 2.96Å |
| 65 | C | 89.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 119.3 | 174.1 | -67 | 0 | 0 | 0 | 0 | 110.8 | N35 G37 T38 C49 | N35-C65 WeakPolarHBondContact O-CB 2.94Å; G37-C65 PolarHBondContact N-O 3.03Å; T38-C65 PolarHBondContact O-N 3.2Å; C49-C65 VanDerWaalsContact CA-SG 3.56Å; C49-C65 HydrophobicContact CB-CB 3.57Å; C49-C65 WeakPolarHBondContact CB-SG 3.38Å; C49-C65 WeakPolarHBondContact SG-CA 3.47Å; C49-C65 WeakPolarHBondContact SG-CB 3.4Å; C49-C65 CovalentContact SG-SG 2.02Å; C49-C65 PolarHBondContact SG-SG 2.9Å |
| 66 | V | 91 | Very high | 86.6 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 160.5 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | T53 V54 D56 T64 C68 L69 | T53-V66 CarbonylContact C-O 3.58Å; T53-V66 WeakPolarHBondContact CA-O 3.09Å; T53-V66 VanDerWaalsContact CB-O 3.26Å; T53-V66 WeakPolarHBondContact CB-O 3.24Å; V54-V66 HydrophobicContact CG2-CG2 3.88Å; V54-V66 PolarHBondContact N-O 2.9Å; V54-V66 PolarHBondContact O-N 3.09Å; D56-V66 HydrophobicContact CB-CG1 4.06Å; D56-V66 HydrophobicContact CB-CG2 3.68Å; T64-V66 PolarHBondContact O-N 2.96Å; V66-C68 VanDerWaalsContact CG2-O 3.22Å; V66-C68 WeakPolarHBondContact CG2-O 3.49Å; V66-L69 HydrophobicContact CG2-CD2 4.21Å |
| 67 | R | 90.2 | Very high | 86.4 | Confident | 194 Ų | 194 | 71.9 Ų | 71.9 | 73% | 0.732 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -68.2 | -40.3 | 179.8 | -65.6 | -173.7 | 180 | -170 | -1.2 | 112.1 | L36 | L36-R67 HydrophobicContact CD1-CG 3.68Å; L36-R67 HydrophobicContact CD2-CG 4.08Å |
| 68 | C | 90.3 | Very high | 86.5 | Confident | 52 Ų | 52 | 72.8 Ų | 72.8 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -151.4 | 157.1 | 175.8 | 60.3 | 0 | 0 | 0 | 0 | 109.3 | V66 C82 | V66-C68 VanDerWaalsContact CG2-O 3.22Å; V66-C68 WeakPolarHBondContact CG2-O 3.49Å; C68-C82 VanDerWaalsContact C-SG 3.56Å; C68-C82 HydrophobicContact CB-CB 3.87Å; C68-C82 WeakPolarHBondContact CB-SG 3.31Å; C68-C82 WeakPolarHBondContact SG-CB 3.34Å; C68-C82 CovalentContact SG-SG 2.03Å; C68-C82 PolarHBondContact SG-SG 2.92Å |
| 69 | L | 90.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -82.6 | 130.4 | 179 | -65.2 | 175.1 | 0 | 0 | 0 | 110.5 | V54 D56 V66 R73 F74 C75 E80 C82 C91 | V54-L69 HydrophobicContact CG2-CD2 4.03Å; V54-L69 HydrophobicContact CG2-CG 3.78Å; D56-L69 HydrophobicContact CB-CD2 3.7Å; V66-L69 HydrophobicContact CG2-CD2 4.21Å; L69-R73 HydrophobicContact CB-CB 4.03Å; L69-R73 HydrophobicContact CD2-CB 4.24Å; L69-F74 VanDerWaalsContact CD1-O 3.23Å; L69-F74 WeakPolarHBondContact CD1-O 3.11Å; L69-C75 HydrophobicContact CD1-CB 3.83Å; L69-E80 WeakPolarHBondContact CB-O 3.01Å; L69-E80 HydrophobicContact CD1-CB 3.64Å; L69-E80 HydrophobicContact CG-CB 4.24Å; L69-E80 PolarHBondContact N-O 2.85Å; L69-C82 PolarHBondContact O-N 2.96Å; L69-C82 PolarHBondContact O-SG 3.17Å; L69-C82 VanDerWaalsContact O-SG 3.33Å; L69-C91 WeakPolarHBondContact CB-SG 3.02Å |
| 70 | D | 89.9 | Confident | 87 | Confident | 112 Ų | 112 | 74.4 Ų | 74.4 | 60% | 0.599 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 168 | 176.5 | -129.8 | -65.4 | 0 | 0 | 0 | 112.6 | G72 R73 C91 | D70-G72 PolarHBondContact O-N 3.16Å; D70-R73 HydrophobicContact CB-CG 4.05Å; D70-R73 VanDerWaalsContact O-CB 3.29Å; D70-R73 WeakPolarHBondContact O-CB 3.44Å; D70-R73 VanDerWaalsContact O-CG 3.27Å; D70-R73 WeakPolarHBondContact O-CG 3.23Å; D70-R73 PolarHBondContact O-N 3.33Å; D70-C91 VanDerWaalsContact O-CB 3.29Å; D70-C91 WeakPolarHBondContact O-CB 3.5Å |
| 71 | K | 90.6 | Very high | 87.7 | Confident | 132 Ų | 132 | 69.2 Ų | 69.2 | 57% | 0.574 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 136.6 | 179.5 | -65 | -170.5 | -179.9 | -136.5 | 0 | 110.9 | R73 R92 | K71-R73 VanDerWaalsContact C-N 3.32Å; K71-R73 PolarHBondContact O-N 2.81Å; K71-R92 WeakPolarHBondContact CD-OXT 3.33Å; K71-R92 VanDerWaalsContact CE-OXT 3.26Å; K71-R92 WeakPolarHBondContact CE-OXT 3.39Å; K71-R92 PolarHBondContact NZ-OXT 2.96Å |
| 72 | G | 87.8 | Confident | 88.4 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -7.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | D70 C91 | D70-G72 PolarHBondContact O-N 3.16Å; G72-C91 PolarHBondContact N-O 2.03Å |
| 73 | R | 88.5 | Confident | 88.8 | Confident | 86 Ų | 86 | 69.7 Ų | 69.7 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | trans | -76.5 | 152.3 | 178.2 | -62 | -53.2 | -173.2 | 138.3 | -9.1 | 112.7 | D56 L69 D70 K71 C75 K90 C91 | D56-R73 VanDerWaalsContact CG-NH1 3.28Å; D56-R73 VanDerWaalsContact OD1-CD 3.24Å; D56-R73 WeakPolarHBondContact OD1-CD 3.4Å; D56-R73 IonicContact OD1-CZ 3.6Å; D56-R73 IonicContact OD1-NE 3.65Å; D56-R73 IonicContact OD1-NH1 2.96Å; D56-R73 PolarHBondContact OD1-NH1 2.83Å; D56-R73 IonicContact OD2-CZ 3.24Å; D56-R73 VanDerWaalsContact OD2-CZ 3.24Å; D56-R73 IonicContact OD2-NE 3.76Å; D56-R73 IonicContact OD2-NH1 2.84Å; D56-R73 PolarHBondContact OD2-NH1 3.23Å; D56-R73 IonicContact OD2-NH2 3.81Å; L69-R73 HydrophobicContact CB-CB 4.03Å; L69-R73 HydrophobicContact CD2-CB 4.24Å; D70-R73 HydrophobicContact CB-CG 4.05Å; D70-R73 VanDerWaalsContact O-CB 3.29Å; D70-R73 WeakPolarHBondContact O-CB 3.44Å; D70-R73 VanDerWaalsContact O-CG 3.27Å; D70-R73 WeakPolarHBondContact O-CG 3.23Å; D70-R73 PolarHBondContact O-N 3.33Å; K71-R73 VanDerWaalsContact C-N 3.32Å; K71-R73 PolarHBondContact O-N 2.81Å; R73-C75 PolarHBondContact O-N 2.96Å; R73-K90 CarbonylContact O-C 3.42Å; R73-K90 VanDerWaalsContact O-CA 3.27Å; R73-K90 WeakPolarHBondContact O-CA 3.33Å; R73-C91 PolarHBondContact O-N 2.77Å | ||
| 74 | F | 87.5 | Confident | 88.8 | Confident | 84 Ų | 84 | 77.3 Ų | 77.3 | 37% | 0.368 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -70.7 | 119 | -177.8 | -180 | -93.7 | 0 | 0 | 0 | 111.7 | L57 L69 L76 F89 | L57-F74 HydrophobicContact CD1-CD1 4.26Å; L69-F74 VanDerWaalsContact CD1-O 3.23Å; L69-F74 WeakPolarHBondContact CD1-O 3.11Å; F74-L76 HydrophobicContact CE1-CD2 3.84Å; F74-L76 HydrophobicContact CE1-CG 3.94Å; F74-L76 HydrophobicContact CZ-CD2 3.74Å; F74-L76 HydrophobicContact CZ-CG 4.36Å; F74-F89 CarbonylContact C-O 3.55Å; F74-F89 VanDerWaalsContact CA-O 3.23Å; F74-F89 WeakPolarHBondContact CA-O 3.05Å; F74-F89 HydrophobicContact CD2-CB 3.86Å; F74-F89 WeakPolarHBondContact CD2-O 3.46Å; F74-F89 HydrophobicContact CE2-CB 3.56Å; F74-F89 AromaticContact CE2-CD1 3.99Å; F74-F89 HydrophobicContact CE2-CD1 3.99Å; F74-F89 AromaticContact CE2-CG 3.99Å; F74-F89 HydrophobicContact CE2-CG 3.99Å; F74-F89 HydrophobicContact CZ-CB 4.39Å; F74-F89 HydrophobicContact CZ-CD1 4.05Å |
| 75 | C | 87.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -122.5 | 148.2 | 178.6 | 56 | 0 | 0 | 0 | 0 | 111.1 | L69 R73 C81 C86 F89 K90 C91 | L69-C75 HydrophobicContact CD1-CB 3.83Å; R73-C75 PolarHBondContact O-N 2.96Å; C75-C81 VanDerWaalsContact CB-SG 3.58Å; C75-C81 VanDerWaalsContact SG-SG 3.65Å; C75-C86 HydrophobicContact CB-CB 3.83Å; C75-C86 WeakPolarHBondContact CB-SG 3.24Å; C75-C86 PolarHBondContact O-SG 2.95Å; C75-C86 WeakPolarHBondContact SG-CA 3.29Å; C75-C86 WeakPolarHBondContact SG-CB 3.41Å; C75-C86 CovalentContact SG-SG 2.02Å; C75-C86 PolarHBondContact SG-SG 3.19Å; C75-F89 PolarHBondContact N-O 3.07Å; C75-F89 CarbonylContact O-C 3.57Å; C75-F89 VanDerWaalsContact O-CA 3.31Å; C75-F89 WeakPolarHBondContact O-CA 3.27Å; C75-F89 VanDerWaalsContact SG-C 3.56Å; C75-K90 VanDerWaalsContact SG-CA 3.56Å; C75-K90 PolarHBondContact SG-N 3.04Å; C75-K90 VanDerWaalsContact SG-N 3.41Å; C75-K90 PolarHBondContact SG-O 3.42Å; C75-K90 VanDerWaalsContact SG-O 3.41Å; C75-C91 PolarHBondContact SG-N 3.31Å | ||
| 76 | L | 85.7 | Confident | 89 | Confident | 96 Ų | 96 | 82.3 Ų | 82.3 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -106.3 | -31.1 | 168.6 | -67.9 | 176.5 | 0 | 0 | 0 | 111.1 | K42 F74 E80 F89 | K42-L76 VanDerWaalsContact CE-CD1 3.47Å; F74-L76 HydrophobicContact CE1-CD2 3.84Å; F74-L76 HydrophobicContact CE1-CG 3.94Å; F74-L76 HydrophobicContact CZ-CD2 3.74Å; F74-L76 HydrophobicContact CZ-CG 4.36Å; L76-E80 PolarHBondContact N-OE2 3.41Å; L76-F89 HydrophobicContact CD2-CD1 3.9Å; L76-F89 HydrophobicContact CD2-CE1 3.9Å |
| 77 | R | 85 | Confident | 89 | Confident | 153 Ų | 153 | 85.5 Ų | 85.5 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -125.7 | 140.4 | 177.9 | -62.9 | -177.5 | 176.5 | -174 | -1.5 | 110 | R79 E80 | R77-R79 HydrophobicContact CB-CG 4.04Å; R77-R79 VanDerWaalsContact NH1-NH2 3.16Å; R77-R79 PolarHBondContact O-N 2.93Å; R77-E80 HydrophobicContact CB-CG 4.26Å; R77-E80 PolarHBondContact N-OE2 3.41Å; R77-E80 WeakPolarHBondContact O-CB 3Å; R77-E80 PolarHBondContact O-N 2.03Å |
| 78 | S | 88.2 | Confident | 89 | Confident | 54 Ų | 54 | 84.6 Ų | 84.6 | 38% | 0.378 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -57.1 | -36.5 | -179.9 | -41.7 | 0 | 0 | 0 | 0 | 112.7 | E80 C81 K84 C86 | S78-E80 PolarHBondContact O-N 3.26Å; S78-C81 WeakPolarHBondContact O-CB 3.12Å; S78-C81 PolarHBondContact O-N 3.03Å; S78-K84 WeakPolarHBondContact CB-O 3.27Å; S78-K84 CarbonylContact O-C 3.57Å; S78-K84 WeakPolarHBondContact O-CA 3.46Å; S78-C86 VanDerWaalsContact CA-CB 3.49Å |
| 79 | R | 86.2 | Confident | 88.9 | Confident | 188 Ų | 188 | 87.9 Ų | 87.9 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -60.6 | -15.4 | 175.1 | 72.9 | 179.2 | -171.9 | 163.9 | 5.1 | 115.6 | R77 C81 | R77-R79 HydrophobicContact CB-CG 4.04Å; R77-R79 VanDerWaalsContact NH1-NH2 3.16Å; R77-R79 PolarHBondContact O-N 2.93Å; R79-C81 VanDerWaalsContact C-N 3.33Å |
| 80 | E | 85.5 | Confident | 88.9 | Confident | 27 Ų | 27 | 93.8 Ų | 93.8 | 13% | 0.126 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -76.7 | -25.5 | 176.2 | -61.5 | -179.1 | 104.8 | 0 | 0 | 111.4 | K42 V54 L69 L76 R77 S78 | K42-E80 IonicContact NZ-OE1 3.16Å; K42-E80 PolarHBondContact NZ-OE1 2.02Å; K42-E80 VanDerWaalsContact NZ-OE1 3.16Å; K42-E80 IonicContact NZ-OE2 3.74Å; V54-E80 HydrophobicContact CB-CB 4.43Å; V54-E80 HydrophobicContact CG1-CB 3.94Å; V54-E80 HydrophobicContact CG1-CG 3.86Å; L69-E80 WeakPolarHBondContact CB-O 3.01Å; L69-E80 HydrophobicContact CD1-CB 3.64Å; L69-E80 HydrophobicContact CG-CB 4.24Å; L69-E80 PolarHBondContact N-O 2.85Å; L76-E80 PolarHBondContact N-OE2 3.41Å; R77-E80 HydrophobicContact CB-CG 4.26Å; R77-E80 PolarHBondContact N-OE2 3.41Å; R77-E80 WeakPolarHBondContact O-CB 3Å; R77-E80 PolarHBondContact O-N 2.03Å; S78-E80 PolarHBondContact O-N 3.26Å |
| 81 | C | 89 | Confident | 88.9 | Confident | 4 Ų | 4 | 88.8 Ų | 88.8 | 3% | 0.027 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -79.6 | 145.4 | 179.6 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | C75 S78 R79 D83 K84 Y85 C91 | C75-C81 VanDerWaalsContact CB-SG 3.58Å; C75-C81 VanDerWaalsContact SG-SG 3.65Å; S78-C81 WeakPolarHBondContact O-CB 3.12Å; S78-C81 PolarHBondContact O-N 3.03Å; R79-C81 VanDerWaalsContact C-N 3.33Å; C81-D83 PolarHBondContact O-N 3.48Å; C81-K84 WeakPolarHBondContact O-CA 3.29Å; C81-K84 PolarHBondContact O-N 3.31Å; C81-Y85 PolarHBondContact SG-O 3.3Å; C81-C91 WeakPolarHBondContact CA-SG 3.37Å; C81-C91 HydrophobicContact CB-CB 3.63Å; C81-C91 WeakPolarHBondContact CB-SG 3.26Å; C81-C91 WeakPolarHBondContact SG-CA 2.93Å; C81-C91 WeakPolarHBondContact SG-CB 3.46Å; C81-C91 CovalentContact SG-SG 2.03Å; C81-C91 PolarHBondContact SG-SG 3.16Å |
| 82 | C | 91.2 | Very high | 88.7 | Confident | 66 Ų | 66 | 90.5 Ų | 90.5 | 45% | 0.446 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -34.2 | 174.5 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | C68 L69 K84 | C68-C82 VanDerWaalsContact C-SG 3.56Å; C68-C82 HydrophobicContact CB-CB 3.87Å; C68-C82 WeakPolarHBondContact CB-SG 3.31Å; C68-C82 WeakPolarHBondContact SG-CB 3.34Å; C68-C82 CovalentContact SG-SG 2.03Å; C68-C82 PolarHBondContact SG-SG 2.92Å; L69-C82 PolarHBondContact O-N 2.96Å; L69-C82 PolarHBondContact O-SG 3.17Å; L69-C82 VanDerWaalsContact O-SG 3.33Å; C82-K84 PolarHBondContact O-N 3.34Å |
| 83 | D | 90.9 | Very high | 88.8 | Confident | 99 Ų | 99 | 92.7 Ų | 92.7 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4.2 | 175 | -149.8 | -97.5 | 0 | 0 | 0 | 113.3 | C81 Y85 R92 | C81-D83 PolarHBondContact O-N 3.48Å; D83-Y85 PolarHBondContact O-N 3.43Å; D83-R92 WeakPolarHBondContact CB-O 3.07Å |
| 84 | K | 90.2 | Very high | 88.8 | Confident | 163 Ų | 163 | 93.1 Ų | 93.1 | 71% | 0.709 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 56.1 | 25.2 | -171.3 | -58 | 178.9 | -176.6 | 173.7 | 0 | 114.1 | S78 C81 C82 | S78-K84 WeakPolarHBondContact CB-O 3.27Å; S78-K84 CarbonylContact O-C 3.57Å; S78-K84 WeakPolarHBondContact O-CA 3.46Å; C81-K84 WeakPolarHBondContact O-CA 3.29Å; C81-K84 PolarHBondContact O-N 3.31Å; C82-K84 PolarHBondContact O-N 3.34Å |
| 85 | Y | 92.3 | Very high | 88.9 | Confident | 108 Ų | 108 | 93.6 Ų | 93.6 | 42% | 0.424 | 42% | 0.421 | S | S | . | . | trans | -128.1 | 116.3 | -179.5 | -172 | -113.4 | 0 | 0 | 0 | 111.6 | C81 D83 F87 C91 R92 | C81-Y85 PolarHBondContact SG-O 3.3Å; D83-Y85 PolarHBondContact O-N 3.43Å; Y85-F87 HydrophobicContact CD1-CB 4.41Å; Y85-F87 HydrophobicContact CE1-CB 3.69Å; Y85-F87 HydrophobicContact CE1-CG 4.38Å; Y85-F87 WeakPolarHBondContact OH-CD2 3.44Å; Y85-C91 WeakPolarHBondContact O-CA 3.23Å; Y85-R92 HydrophobicContact CD1-CB 3.9Å; Y85-R92 HydrophobicContact CE1-CB 4.2Å; Y85-R92 PolarHBondContact O-N 2.79Å | ||
| 86 | C | 90.7 | Very high | 88.9 | Confident | 25 Ų | 25 | 99.1 Ų | 99.1 | 17% | 0.169 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.3 | 176.7 | -178 | 0 | 0 | 0 | 0 | 108.8 | C75 S78 | C75-C86 HydrophobicContact CB-CB 3.83Å; C75-C86 WeakPolarHBondContact CB-SG 3.24Å; C75-C86 PolarHBondContact O-SG 2.95Å; C75-C86 WeakPolarHBondContact SG-CA 3.29Å; C75-C86 WeakPolarHBondContact SG-CB 3.41Å; C75-C86 CovalentContact SG-SG 2.02Å; C75-C86 PolarHBondContact SG-SG 3.19Å; S78-C86 VanDerWaalsContact CA-CB 3.49Å |
| 87 | F | 92 | Very high | 89.1 | Confident | 104 Ų | 104 | 99.3 Ų | 99.3 | 46% | 0.456 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126.8 | 179.7 | -173.6 | -98.2 | 0 | 0 | 0 | 109.8 | Y85 F89 K90 | Y85-F87 HydrophobicContact CD1-CB 4.41Å; Y85-F87 HydrophobicContact CE1-CB 3.69Å; Y85-F87 HydrophobicContact CE1-CG 4.38Å; Y85-F87 WeakPolarHBondContact OH-CD2 3.44Å; F87-F89 VanDerWaalsContact C-N 3.3Å; F87-F89 PolarHBondContact O-N 3.28Å; F87-K90 PolarHBondContact N-O 3.19Å; F87-K90 PolarHBondContact O-N 3.32Å |
| 88 | F | 90.4 | Very high | 89.4 | Confident | 176 Ų | 176 | 95.7 Ų | 95.7 | 77% | 0.772 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 46 | 179.4 | -151.3 | -96.4 | 0 | 0 | 0 | 113.1 | K90 | F88-K90 PolarHBondContact O-N 2.83Å; F88-K90 VanDerWaalsContact O-N 3.16Å |
| 89 | F | 87.4 | Confident | 89.5 | Confident | 120 Ų | 120 | 98.6 Ų | 98.6 | 53% | 0.526 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 17.8 | -175 | -57.8 | -80 | 0 | 0 | 0 | 115.5 | F74 C75 L76 F87 | F74-F89 CarbonylContact C-O 3.55Å; F74-F89 VanDerWaalsContact CA-O 3.23Å; F74-F89 WeakPolarHBondContact CA-O 3.05Å; F74-F89 HydrophobicContact CD2-CB 3.86Å; F74-F89 WeakPolarHBondContact CD2-O 3.46Å; F74-F89 HydrophobicContact CE2-CB 3.56Å; F74-F89 AromaticContact CE2-CD1 3.99Å; F74-F89 HydrophobicContact CE2-CD1 3.99Å; F74-F89 AromaticContact CE2-CG 3.99Å; F74-F89 HydrophobicContact CE2-CG 3.99Å; F74-F89 HydrophobicContact CZ-CB 4.39Å; F74-F89 HydrophobicContact CZ-CD1 4.05Å; C75-F89 PolarHBondContact N-O 3.07Å; C75-F89 CarbonylContact O-C 3.57Å; C75-F89 VanDerWaalsContact O-CA 3.31Å; C75-F89 WeakPolarHBondContact O-CA 3.27Å; C75-F89 VanDerWaalsContact SG-C 3.56Å; L76-F89 HydrophobicContact CD2-CD1 3.9Å; L76-F89 HydrophobicContact CD2-CE1 3.9Å; F87-F89 VanDerWaalsContact C-N 3.3Å; F87-F89 PolarHBondContact O-N 3.28Å |
| 90 | K | 89.3 | Confident | 89.8 | Confident | 126 Ų | 126 | 91.8 Ų | 91.8 | 55% | 0.548 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.6 | 176.4 | -68.8 | -176.6 | 178.6 | -179.6 | 0 | 111.8 | R73 C75 F87 F88 | R73-K90 CarbonylContact O-C 3.42Å; R73-K90 VanDerWaalsContact O-CA 3.27Å; R73-K90 WeakPolarHBondContact O-CA 3.33Å; C75-K90 VanDerWaalsContact SG-CA 3.56Å; C75-K90 PolarHBondContact SG-N 3.04Å; C75-K90 VanDerWaalsContact SG-N 3.41Å; C75-K90 PolarHBondContact SG-O 3.42Å; C75-K90 VanDerWaalsContact SG-O 3.41Å; F87-K90 PolarHBondContact N-O 3.19Å; F87-K90 PolarHBondContact O-N 3.32Å; F88-K90 PolarHBondContact O-N 2.83Å; F88-K90 VanDerWaalsContact O-N 3.16Å |
| 91 | C | 90 | Very high | 90.1 | Very high | 6 Ų | 6 | 97.2 Ų | 97.2 | 4% | 0.041 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 138.8 | 170.6 | -65 | 0 | 0 | 0 | 0 | 109.8 | L69 D70 G72 R73 C75 C81 Y85 | L69-C91 WeakPolarHBondContact CB-SG 3.02Å; D70-C91 VanDerWaalsContact O-CB 3.29Å; D70-C91 WeakPolarHBondContact O-CB 3.5Å; G72-C91 PolarHBondContact N-O 2.03Å; R73-C91 PolarHBondContact O-N 2.77Å; C75-C91 PolarHBondContact SG-N 3.31Å; C81-C91 WeakPolarHBondContact CA-SG 3.37Å; C81-C91 HydrophobicContact CB-CB 3.63Å; C81-C91 WeakPolarHBondContact CB-SG 3.26Å; C81-C91 WeakPolarHBondContact SG-CA 2.93Å; C81-C91 WeakPolarHBondContact SG-CB 3.46Å; C81-C91 CovalentContact SG-SG 2.03Å; C81-C91 PolarHBondContact SG-SG 3.16Å; Y85-C91 WeakPolarHBondContact O-CA 3.23Å |
| 92 | R | 88.1 | Confident | 90.2 | Very high | 169 Ų | 169 | 105.6 Ų | 105.6 | 64% | 0.638 | 48% | 0.478 | S | S | * | . | trans | -132 | 0 | -179.8 | -177 | 172.8 | -166.2 | 165.9 | 3.8 | 110.8 | K71 D83 Y85 | K71-R92 WeakPolarHBondContact CD-OXT 3.33Å; K71-R92 VanDerWaalsContact CE-OXT 3.26Å; K71-R92 WeakPolarHBondContact CE-OXT 3.39Å; K71-R92 PolarHBondContact NZ-OXT 2.96Å; D83-R92 WeakPolarHBondContact CB-O 3.07Å; Y85-R92 HydrophobicContact CD1-CB 3.9Å; Y85-R92 HydrophobicContact CE1-CB 4.2Å; Y85-R92 PolarHBondContact O-N 2.79Å |
Retrieved 92 of 92 residues in 28.6 ms
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