| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 66.9 | Low | 85.9 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 38% | 0.379 | 36% | 0.359 | S | S | . | . | 0 | 137.7 | 0 | -167.9 | 177.5 | -171 | 0 | 0 | 106.7 | S3 I6 V23 L26 E27 I54 S58 | M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.13Å; M1-I6 HydrophobicContact CE-CD1 3.82Å; M1-I6 HydrophobicContact CG-CD1 3.79Å; M1-I6 HydrophobicContact SD-CD1 4.1Å; M1-V23 HydrophobicContact SD-CG1 3.94Å; M1-L26 HydrophobicContact CE-CB 4.38Å; M1-E27 HydrophobicContact CB-CG 4.02Å; M1-E27 VanDerWaalsContact CB-OE1 3.24Å; M1-E27 WeakPolarHBondContact CB-OE1 3.48Å; M1-E27 PolarHBondContact N-OE1 3.15Å; M1-E27 HydrophobicContact SD-CG 4.01Å; M1-I54 HydrophobicContact CE-CG2 3.63Å; M1-S58 WeakPolarHBondContact CE-OG 3.21Å | |||
| 2 | N | 77.8 | Confident | 86.3 | Confident | 115 Ų | 115 | 75.8 Ų | 75.8 | 62% | 0.615 | 40% | 0.397 | S | S | * | . | trans | -73.1 | 88.1 | -179.1 | -75.8 | 5.7 | 0 | 0 | 0 | 110.4 | D4 I5 I6 | N2-D4 VanDerWaalsContact C-N 3.26Å; N2-D4 PolarHBondContact O-N 2.95Å; N2-I5 HydrophobicContact CB-CD1 3.76Å; N2-I5 HydrophobicContact CB-CG1 3.94Å; N2-I5 PolarHBondContact O-N 3.16Å; N2-I6 PolarHBondContact O-N 3.28Å | ||
| 3 | S | 79.9 | Confident | 86.5 | Confident | 43 Ų | 43 | 77.8 Ų | 77.8 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -54.6 | -40.6 | -179.8 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | M1 I5 I6 V7 | M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.13Å; S3-I5 VanDerWaalsContact C-N 3.28Å; S3-I5 PolarHBondContact O-N 3.19Å; S3-I6 WeakPolarHBondContact O-CA 3.11Å; S3-I6 WeakPolarHBondContact O-CB 3.41Å; S3-I6 PolarHBondContact O-N 2.76Å; S3-V7 WeakPolarHBondContact O-CG2 3.39Å; S3-V7 PolarHBondContact O-N 3.43Å |
| 4 | D | 85.8 | Confident | 86.9 | Confident | 121 Ų | 121 | 75.6 Ų | 75.6 | 65% | 0.647 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.6 | -38.7 | -177.1 | -59.1 | -31.5 | 0 | 0 | 0 | 113.1 | N2 I6 S8 | N2-D4 VanDerWaalsContact C-N 3.26Å; N2-D4 PolarHBondContact O-N 2.95Å; D4-I6 VanDerWaalsContact C-N 3.35Å; D4-S8 WeakPolarHBondContact O-CB 3.33Å; D4-S8 PolarHBondContact O-N 3.12Å; D4-S8 PolarHBondContact O-OG 3.35Å |
| 5 | I | 88.2 | Confident | 87.2 | Confident | 76 Ų | 76 | 78.4 Ų | 78.4 | 39% | 0.39 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -78.6 | -24.2 | 179.4 | -33.8 | 170.4 | 0 | 0 | 0 | 111 | N2 S3 I9 R61 | N2-I5 HydrophobicContact CB-CD1 3.76Å; N2-I5 HydrophobicContact CB-CG1 3.94Å; N2-I5 PolarHBondContact O-N 3.16Å; S3-I5 VanDerWaalsContact C-N 3.28Å; S3-I5 PolarHBondContact O-N 3.19Å; I5-I9 WeakPolarHBondContact O-CD1 3.24Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.32Å; I5-R61 PolarHBondContact O-NH2 3.23Å |
| 6 | I | 89.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -74.8 | -46.5 | 173.6 | -62.9 | 177.7 | 0 | 0 | 0 | 109.5 | M1 N2 S3 D4 S8 I9 L10 I19 V23 I54 | M1-I6 HydrophobicContact CE-CD1 3.82Å; M1-I6 HydrophobicContact CG-CD1 3.79Å; M1-I6 HydrophobicContact SD-CD1 4.1Å; N2-I6 PolarHBondContact O-N 3.28Å; S3-I6 WeakPolarHBondContact O-CA 3.11Å; S3-I6 WeakPolarHBondContact O-CB 3.41Å; S3-I6 PolarHBondContact O-N 2.76Å; D4-I6 VanDerWaalsContact C-N 3.35Å; I6-S8 VanDerWaalsContact C-N 3.31Å; I6-S8 PolarHBondContact O-N 3.49Å; I6-I9 PolarHBondContact O-N 3.31Å; I6-L10 HydrophobicContact CG2-CD1 3.95Å; I6-L10 PolarHBondContact O-N 3.04Å; I6-I19 HydrophobicContact CG2-CG2 3.98Å; I6-V23 HydrophobicContact CB-CG2 4.46Å; I6-V23 HydrophobicContact CD1-CG2 4.11Å; I6-V23 HydrophobicContact CG2-CG2 4.06Å; I6-I54 HydrophobicContact CD1-CG2 4.1Å; I6-I54 HydrophobicContact CG2-CB 4.49Å; I6-I54 HydrophobicContact CG2-CD1 4.46Å; I6-I54 HydrophobicContact CG2-CG1 3.83Å; I6-I54 HydrophobicContact CG2-CG2 4.17Å |
| 7 | V | 90.8 | Very high | 87.7 | Confident | 20 Ų | 20 | 79.5 Ų | 79.5 | 12% | 0.121 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.3 | -46.8 | 173.9 | 173 | 0 | 0 | 0 | 0 | 110.3 | S3 I9 L10 K11 V16 I19 K20 | S3-V7 WeakPolarHBondContact O-CG2 3.39Å; S3-V7 PolarHBondContact O-N 3.43Å; V7-I9 PolarHBondContact O-N 3.12Å; V7-L10 PolarHBondContact O-N 2.78Å; V7-K11 WeakPolarHBondContact O-CB 3.5Å; V7-K11 WeakPolarHBondContact O-CG 3.33Å; V7-K11 PolarHBondContact O-N 2.74Å; V7-V16 HydrophobicContact CG1-CG1 3.86Å; V7-V16 HydrophobicContact CG1-CG2 4.15Å; V7-I19 HydrophobicContact CG2-CB 4.35Å; V7-I19 HydrophobicContact CG2-CG2 3.72Å; V7-K20 HydrophobicContact CG2-CG 4.41Å |
| 8 | S | 90.9 | Very high | 87.9 | Confident | 70 Ų | 70 | 79.7 Ų | 79.7 | 49% | 0.49 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.8 | -32.5 | -179.8 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | D4 I6 | D4-S8 WeakPolarHBondContact O-CB 3.33Å; D4-S8 PolarHBondContact O-N 3.12Å; D4-S8 PolarHBondContact O-OG 3.35Å; I6-S8 VanDerWaalsContact C-N 3.31Å; I6-S8 PolarHBondContact O-N 3.49Å |
| 9 | I | 91.2 | Very high | 88.1 | Confident | 81 Ų | 81 | 75.5 Ų | 75.5 | 42% | 0.415 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -82.3 | -37.2 | 179.7 | -67.2 | 169.1 | 0 | 0 | 0 | 111.5 | I5 I6 V7 L57 | I5-I9 WeakPolarHBondContact O-CD1 3.24Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.32Å; I6-I9 PolarHBondContact O-N 3.31Å; V7-I9 PolarHBondContact O-N 3.12Å; I9-L57 HydrophobicContact CB-CD1 4.4Å; I9-L57 HydrophobicContact CD1-CD2 4.3Å; I9-L57 HydrophobicContact CG2-CD1 3.89Å; I9-L57 HydrophobicContact CG2-CD2 4.29Å |
| 10 | L | 92.6 | Very high | 88.3 | Confident | 14 Ų | 14 | 77 Ų | 77 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -102.1 | -10.3 | -169.5 | -67.6 | -179.7 | 0 | 0 | 0 | 114.5 | I6 V7 E12 T13 Y14 I19 L50 I54 L57 | I6-L10 HydrophobicContact CG2-CD1 3.95Å; I6-L10 PolarHBondContact O-N 3.04Å; V7-L10 PolarHBondContact O-N 2.78Å; L10-E12 PolarHBondContact O-N 3.47Å; L10-E12 VanDerWaalsContact O-N 3.08Å; L10-T13 PolarHBondContact O-N 3.32Å; L10-Y14 HydrophobicContact CB-CD2 4.23Å; L10-Y14 HydrophobicContact CD2-CD2 4.39Å; L10-Y14 HydrophobicContact CD2-CE2 4.39Å; L10-Y14 PolarHBondContact O-N 3.24Å; L10-I19 HydrophobicContact CB-CD1 3.72Å; L10-I19 HydrophobicContact CB-CG1 4.22Å; L10-L50 HydrophobicContact CD1-CD1 4.09Å; L10-I54 HydrophobicContact CD1-CD1 4.39Å; L10-I54 HydrophobicContact CD1-CG1 3.49Å; L10-I54 VanDerWaalsContact CD1-CG1 3.49Å; L10-L57 HydrophobicContact CD1-CD1 3.98Å; L10-L57 HydrophobicContact CD2-CD1 4.13Å; L10-L57 HydrophobicContact CG-CD1 3.94Å |
| 11 | K | 90.8 | Very high | 88.4 | Confident | 118 Ų | 118 | 77.9 Ų | 77.9 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.4 | -178.3 | 62.4 | 178 | -176.8 | 175.7 | 0 | 114.7 | V7 T13 V16 | V7-K11 WeakPolarHBondContact O-CB 3.5Å; V7-K11 WeakPolarHBondContact O-CG 3.33Å; V7-K11 PolarHBondContact O-N 2.74Å; K11-T13 VanDerWaalsContact C-N 3.35Å; K11-V16 HydrophobicContact CB-CG2 4.33Å |
| 12 | E | 90.3 | Very high | 89.6 | Confident | 175 Ų | 175 | 74.2 Ų | 74.2 | 82% | 0.818 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -23.9 | 177.3 | -66 | -179.8 | -178.9 | 0 | 0 | 112.2 | L10 | L10-E12 PolarHBondContact O-N 3.47Å; L10-E12 VanDerWaalsContact O-N 3.08Å |
| 13 | T | 89.8 | Confident | 90.2 | Very high | 101 Ų | 101 | 69 Ų | 69 | 62% | 0.62 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -29.3 | -175.9 | -47.2 | 0 | 0 | 0 | 0 | 112.4 | L10 K11 | L10-T13 PolarHBondContact O-N 3.32Å; K11-T13 VanDerWaalsContact C-N 3.35Å |
| 14 | Y | 91.6 | Very high | 90.7 | Very high | 48 Ų | 48 | 74 Ų | 74 | 19% | 0.188 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -133.7 | 150 | -173.4 | -58.5 | -79.8 | 0 | 0 | 0 | 111.7 | L10 L50 | L10-Y14 HydrophobicContact CB-CD2 4.23Å; L10-Y14 HydrophobicContact CD2-CD2 4.39Å; L10-Y14 HydrophobicContact CD2-CE2 4.39Å; L10-Y14 PolarHBondContact O-N 3.24Å; Y14-L50 HydrophobicContact CD1-CB 4.07Å; Y14-L50 HydrophobicContact CD1-CD1 4.1Å; Y14-L50 HydrophobicContact CD1-CD2 4.24Å; Y14-L50 HydrophobicContact CD1-CG 4.37Å; Y14-L50 HydrophobicContact CD2-CD1 3.65Å; Y14-L50 HydrophobicContact CE1-CB 3.83Å; Y14-L50 HydrophobicContact CE1-CD1 4.42Å; Y14-L50 HydrophobicContact CE2-CD1 3.99Å; Y14-L50 HydrophobicContact CG-CD1 3.69Å; Y14-L50 HydrophobicContact CG-CD2 4.39Å; Y14-L50 HydrophobicContact CG-CG 4.42Å |
| 15 | E | 91.8 | Very high | 90.9 | Very high | 117 Ų | 117 | 69 Ų | 69 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | trans | -61.9 | 138.4 | 172.6 | -70.1 | 160.9 | -150.5 | 0 | 0 | 111.2 | D17 K18 I19 | E15-D17 PolarHBondContact O-N 2.91Å; E15-K18 HydrophobicContact CB-CB 4.4Å; E15-K18 HydrophobicContact CB-CD 4.25Å; E15-K18 HydrophobicContact CB-CG 4.3Å; E15-K18 PolarHBondContact O-N 3.36Å; E15-K18 IonicContact OE1-NZ 3.9Å; E15-K18 PolarHBondContact OE1-NZ 3.24Å; E15-K18 WeakPolarHBondContact OE2-CD 3.35Å; E15-K18 WeakPolarHBondContact OE2-CE 3.26Å; E15-K18 IonicContact OE2-NZ 2.97Å; E15-K18 PolarHBondContact OE2-NZ 2.83Å; E15-I19 WeakPolarHBondContact O-CG1 3.14Å; E15-I19 PolarHBondContact O-N 2.71Å | ||
| 16 | V | 91.4 | Very high | 91 | Very high | 56 Ų | 56 | 65.5 Ų | 65.5 | 34% | 0.339 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.6 | -37.5 | -176.9 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | V7 K11 I19 K20 | V7-V16 HydrophobicContact CG1-CG1 3.86Å; V7-V16 HydrophobicContact CG1-CG2 4.15Å; K11-V16 HydrophobicContact CB-CG2 4.33Å; V16-I19 PolarHBondContact O-N 3.22Å; V16-K20 HydrophobicContact CG1-CD 4.36Å; V16-K20 WeakPolarHBondContact O-CG 3.37Å; V16-K20 PolarHBondContact O-N 3.36Å |
| 17 | D | 91.3 | Very high | 90.9 | Very high | 119 Ų | 119 | 69.8 Ų | 69.8 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.4 | -43.4 | -179.2 | -64 | -33.3 | 0 | 0 | 0 | 111.7 | E15 I19 K20 E21 | E15-D17 PolarHBondContact O-N 2.91Å; D17-I19 VanDerWaalsContact C-N 3.29Å; D17-I19 PolarHBondContact O-N 3.19Å; D17-K20 PolarHBondContact O-N 2.92Å; D17-E21 PolarHBondContact O-N 3.06Å |
| 18 | K | 91.3 | Very high | 90.8 | Very high | 83 Ų | 83 | 75.4 Ų | 75.4 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 173.3 | -70.3 | 178.4 | 176.7 | 139.7 | 0 | 111.7 | E15 E21 A22 L50 | E15-K18 HydrophobicContact CB-CB 4.4Å; E15-K18 HydrophobicContact CB-CD 4.25Å; E15-K18 HydrophobicContact CB-CG 4.3Å; E15-K18 PolarHBondContact O-N 3.36Å; E15-K18 IonicContact OE1-NZ 3.9Å; E15-K18 PolarHBondContact OE1-NZ 3.24Å; E15-K18 WeakPolarHBondContact OE2-CD 3.35Å; E15-K18 WeakPolarHBondContact OE2-CE 3.26Å; E15-K18 IonicContact OE2-NZ 2.97Å; E15-K18 PolarHBondContact OE2-NZ 2.83Å; K18-E21 PolarHBondContact O-N 3.46Å; K18-A22 VanDerWaalsContact O-CB 3.24Å; K18-A22 WeakPolarHBondContact O-CB 3.46Å; K18-A22 PolarHBondContact O-N 3.48Å; K18-L50 HydrophobicContact CB-CD2 3.88Å |
| 19 | I | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 176 | -63 | 163.8 | 0 | 0 | 0 | 110.3 | I6 V7 L10 E15 V16 D17 E21 A22 V23 L50 I54 | I6-I19 HydrophobicContact CG2-CG2 3.98Å; V7-I19 HydrophobicContact CG2-CB 4.35Å; V7-I19 HydrophobicContact CG2-CG2 3.72Å; L10-I19 HydrophobicContact CB-CD1 3.72Å; L10-I19 HydrophobicContact CB-CG1 4.22Å; E15-I19 WeakPolarHBondContact O-CG1 3.14Å; E15-I19 PolarHBondContact O-N 2.71Å; V16-I19 PolarHBondContact O-N 3.22Å; D17-I19 VanDerWaalsContact C-N 3.29Å; D17-I19 PolarHBondContact O-N 3.19Å; I19-E21 VanDerWaalsContact C-N 3.33Å; I19-E21 PolarHBondContact O-N 3.33Å; I19-A22 PolarHBondContact O-N 3.49Å; I19-V23 HydrophobicContact CG2-CG2 4.38Å; I19-V23 VanDerWaalsContact O-CG2 3.28Å; I19-V23 WeakPolarHBondContact O-CG2 3.46Å; I19-V23 PolarHBondContact O-N 3.34Å; I19-L50 HydrophobicContact CG1-CD1 4.11Å; I19-I54 HydrophobicContact CG2-CD1 4.35Å |
| 20 | K | 90.9 | Very high | 90.4 | Very high | 106 Ų | 106 | 75.7 Ų | 75.7 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 179.9 | -74 | 175.5 | 179.1 | 174.3 | 0 | 111.8 | V7 V16 D17 V23 K24 | V7-K20 HydrophobicContact CG2-CG 4.41Å; V16-K20 HydrophobicContact CG1-CD 4.36Å; V16-K20 WeakPolarHBondContact O-CG 3.37Å; V16-K20 PolarHBondContact O-N 3.36Å; D17-K20 PolarHBondContact O-N 2.92Å; K20-V23 PolarHBondContact O-N 3.43Å; K20-K24 WeakPolarHBondContact O-CG 3.48Å; K20-K24 PolarHBondContact O-N 3.49Å; K20-K24 VanDerWaalsContact O-N 3.11Å |
| 21 | E | 90.6 | Very high | 90.1 | Very high | 96 Ų | 96 | 79.1 Ų | 79.1 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 176.8 | -160.9 | -177.4 | 174.5 | 0 | 0 | 111.6 | D17 K18 I19 V23 K24 I25 I46 | D17-E21 PolarHBondContact O-N 3.06Å; K18-E21 PolarHBondContact O-N 3.46Å; I19-E21 VanDerWaalsContact C-N 3.33Å; I19-E21 PolarHBondContact O-N 3.33Å; E21-V23 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 2.97Å; E21-K24 WeakPolarHBondContact O-CB 3.46Å; E21-K24 PolarHBondContact O-N 2.96Å; E21-K24 VanDerWaalsContact O-N 3.08Å; E21-I25 PolarHBondContact O-N 3.42Å; E21-I25 VanDerWaalsContact O-N 3.09Å; E21-I46 HydrophobicContact CB-CD1 4.12Å; E21-I46 HydrophobicContact CG-CD1 3.67Å |
| 22 | A | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K18 I19 I25 L26 I46 L50 L51 I54 | K18-A22 VanDerWaalsContact O-CB 3.24Å; K18-A22 WeakPolarHBondContact O-CB 3.46Å; K18-A22 PolarHBondContact O-N 3.48Å; I19-A22 PolarHBondContact O-N 3.49Å; A22-I25 PolarHBondContact O-N 3.04Å; A22-L26 WeakPolarHBondContact O-CG 3.24Å; A22-L26 PolarHBondContact O-N 3.23Å; A22-L26 VanDerWaalsContact O-N 3.08Å; A22-I46 HydrophobicContact CB-CG2 3.74Å; A22-L50 HydrophobicContact CB-CD2 3.96Å; A22-L50 HydrophobicContact CB-CG 3.93Å; A22-L51 HydrophobicContact CB-CD2 3.95Å; A22-I54 HydrophobicContact CB-CD1 3.4Å |
| 23 | V | 91.5 | Very high | 90.1 | Very high | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.03 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 172.6 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | M1 I6 I19 K20 E21 I25 L26 E27 I54 | M1-V23 HydrophobicContact SD-CG1 3.94Å; I6-V23 HydrophobicContact CB-CG2 4.46Å; I6-V23 HydrophobicContact CD1-CG2 4.11Å; I6-V23 HydrophobicContact CG2-CG2 4.06Å; I19-V23 HydrophobicContact CG2-CG2 4.38Å; I19-V23 VanDerWaalsContact O-CG2 3.28Å; I19-V23 WeakPolarHBondContact O-CG2 3.46Å; I19-V23 PolarHBondContact O-N 3.34Å; K20-V23 PolarHBondContact O-N 3.43Å; E21-V23 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 2.97Å; V23-I25 VanDerWaalsContact C-N 3.31Å; V23-I25 PolarHBondContact O-N 3.41Å; V23-L26 PolarHBondContact O-N 3.45Å; V23-L26 VanDerWaalsContact O-N 3.14Å; V23-E27 HydrophobicContact CG1-CG 4.26Å; V23-E27 WeakPolarHBondContact O-CG 3.44Å; V23-E27 PolarHBondContact O-N 2.82Å; V23-I54 HydrophobicContact CG2-CD1 4.17Å; V23-I54 HydrophobicContact CG2-CG2 4.01Å |
| 24 | K | 90.4 | Very high | 90.1 | Very high | 149 Ų | 149 | 65 Ų | 65 | 65% | 0.648 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.2 | -40.3 | 177.6 | -72.3 | 176.1 | 179.8 | -179.4 | 0 | 112.5 | K20 E21 E27 | K20-K24 WeakPolarHBondContact O-CG 3.48Å; K20-K24 PolarHBondContact O-N 3.49Å; K20-K24 VanDerWaalsContact O-N 3.11Å; E21-K24 WeakPolarHBondContact O-CB 3.46Å; E21-K24 PolarHBondContact O-N 2.96Å; E21-K24 VanDerWaalsContact O-N 3.08Å; K24-E27 PolarHBondContact O-N 2.82Å |
| 25 | I | 88.9 | Confident | 89.9 | Confident | 15 Ų | 15 | 69.9 Ų | 69.9 | 8% | 0.077 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.7 | -66.9 | -178.8 | 0 | 0 | 0 | 110.5 | E21 A22 V23 E27 K28 F37 V38 E42 I46 L51 | E21-I25 PolarHBondContact O-N 3.42Å; E21-I25 VanDerWaalsContact O-N 3.09Å; A22-I25 PolarHBondContact O-N 3.04Å; V23-I25 VanDerWaalsContact C-N 3.31Å; V23-I25 PolarHBondContact O-N 3.41Å; I25-E27 VanDerWaalsContact C-N 3.3Å; I25-E27 PolarHBondContact O-N 3.46Å; I25-K28 WeakPolarHBondContact O-CB 3.34Å; I25-K28 PolarHBondContact O-N 2.72Å; I25-F37 HydrophobicContact CG2-CE2 3.99Å; I25-V38 HydrophobicContact CG2-CG2 3.92Å; I25-E42 HydrophobicContact CD1-CB 4.44Å; I25-I46 HydrophobicContact CD1-CD1 3.22Å; I25-I46 HydrophobicContact CG1-CD1 4.34Å; I25-L51 HydrophobicContact CB-CD2 4.34Å; I25-L51 HydrophobicContact CG2-CD2 4.19Å |
| 26 | L | 90.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72.6 | -20.7 | -177.2 | -73 | 167 | 0 | 0 | 0 | 114 | M1 A22 V23 K28 F29 P30 P34 F37 L51 I54 | M1-L26 HydrophobicContact CE-CB 4.38Å; A22-L26 WeakPolarHBondContact O-CG 3.24Å; A22-L26 PolarHBondContact O-N 3.23Å; A22-L26 VanDerWaalsContact O-N 3.08Å; V23-L26 PolarHBondContact O-N 3.45Å; V23-L26 VanDerWaalsContact O-N 3.14Å; L26-K28 PolarHBondContact O-N 2.91Å; L26-F29 CarbonylContact O-C 3.31Å; L26-F29 VanDerWaalsContact O-C 3.31Å; L26-F29 PolarHBondContact O-N 2.83Å; L26-P30 WeakPolarHBondContact O-CA 3.32Å; L26-P34 HydrophobicContact CD2-CB 4.42Å; L26-P34 HydrophobicContact CD2-CG 3.75Å; L26-F37 HydrophobicContact CD2-CE1 4.25Å; L26-F37 HydrophobicContact CD2-CZ 3.68Å; L26-L51 HydrophobicContact CD1-CD2 4.02Å; L26-L51 WeakPolarHBondContact CD1-O 3.28Å; L26-L51 HydrophobicContact CD2-CD2 4.48Å; L26-L51 HydrophobicContact CG-CD2 3.97Å; L26-I54 HydrophobicContact CD1-CB 3.55Å; L26-I54 HydrophobicContact CD1-CG2 3.35Å |
| 27 | E | 88.5 | Confident | 89.7 | Confident | 91 Ų | 91 | 72.2 Ų | 72.2 | 43% | 0.425 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.2 | -24.8 | 174.2 | -79.7 | -171.4 | 151.1 | 0 | 0 | 113 | M1 V23 K24 I25 F29 | M1-E27 HydrophobicContact CB-CG 4.02Å; M1-E27 VanDerWaalsContact CB-OE1 3.24Å; M1-E27 WeakPolarHBondContact CB-OE1 3.48Å; M1-E27 PolarHBondContact N-OE1 3.15Å; M1-E27 HydrophobicContact SD-CG 4.01Å; V23-E27 HydrophobicContact CG1-CG 4.26Å; V23-E27 WeakPolarHBondContact O-CG 3.44Å; V23-E27 PolarHBondContact O-N 2.82Å; K24-E27 PolarHBondContact O-N 2.82Å; I25-E27 VanDerWaalsContact C-N 3.3Å; I25-E27 PolarHBondContact O-N 3.46Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 2.71Å |
| 28 | K | 87.7 | Confident | 89.5 | Confident | 137 Ų | 137 | 67.2 Ų | 67.2 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 173.8 | -62.3 | 179.6 | -176.8 | 171.6 | 0 | 111.6 | I25 L26 E42 | I25-K28 WeakPolarHBondContact O-CB 3.34Å; I25-K28 PolarHBondContact O-N 2.72Å; L26-K28 PolarHBondContact O-N 2.91Å; K28-E42 IonicContact NZ-OE1 2.81Å |
| 29 | F | 88.5 | Confident | 89.3 | Confident | 94 Ų | 94 | 68.9 Ų | 68.9 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -138.6 | 73.2 | -175.5 | -59.8 | -70.4 | 0 | 0 | 0 | 112.1 | L26 E27 S31 I32 F37 | L26-F29 CarbonylContact O-C 3.31Å; L26-F29 VanDerWaalsContact O-C 3.31Å; L26-F29 PolarHBondContact O-N 2.83Å; E27-F29 VanDerWaalsContact C-N 3.32Å; E27-F29 PolarHBondContact O-N 2.71Å; F29-S31 PolarHBondContact O-N 2.86Å; F29-S31 VanDerWaalsContact O-N 3.13Å; F29-I32 HydrophobicContact CB-CB 3.96Å; F29-I32 HydrophobicContact CB-CD1 3.94Å; F29-I32 HydrophobicContact CB-CG1 4Å; F29-I32 HydrophobicContact CD1-CD1 3.77Å; F29-I32 HydrophobicContact CG-CD1 4.04Å; F29-I32 PolarHBondContact O-N 2.93Å; F29-F37 HydrophobicContact CB-CD1 4.18Å; F29-F37 HydrophobicContact CB-CD2 4.44Å; F29-F37 HydrophobicContact CB-CE1 4.07Å; F29-F37 HydrophobicContact CB-CE2 4.35Å; F29-F37 HydrophobicContact CB-CG 4.34Å; F29-F37 HydrophobicContact CB-CZ 4.15Å; F29-F37 HydrophobicContact CD2-CB 4.16Å; F29-F37 HydrophobicContact CD2-CD1 4.47Å; F29-F37 AromaticContact CD2-CD2 3.52Å; F29-F37 HydrophobicContact CD2-CD2 3.52Å; F29-F37 AromaticContact CD2-CE2 3.94Å; F29-F37 HydrophobicContact CD2-CE2 3.94Å; F29-F37 AromaticContact CD2-CG 3.8Å; F29-F37 HydrophobicContact CD2-CG 3.8Å; F29-F37 HydrophobicContact CE2-CD2 4.24Å; F29-F37 HydrophobicContact CG-CD2 4.4Å; F29-F37 HydrophobicContact CG-CG 4.38Å |
| 30 | P | 85.8 | Confident | 88.7 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 41% | 0.409 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.9 | -168.6 | 25.9 | -35.4 | 0 | 0 | 0 | 114.3 | L26 R62 | L26-P30 WeakPolarHBondContact O-CA 3.32Å; P30-R62 PolarHBondContact O-NH1 2.91Å; P30-R62 PolarHBondContact O-NH2 3.43Å |
| 31 | S | 87.3 | Confident | 88.2 | Confident | 86 Ų | 86 | 77.7 Ų | 77.7 | 60% | 0.601 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -10.9 | -179.4 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | F29 Y55 | F29-S31 PolarHBondContact O-N 2.86Å; F29-S31 VanDerWaalsContact O-N 3.13Å; S31-Y55 PolarHBondContact O-OH 3.01Å |
| 32 | I | 88.8 | Confident | 87.6 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 31% | 0.313 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -98.1 | 133.5 | -176.3 | -52 | -175.5 | 0 | 0 | 0 | 108.4 | F29 W36 F37 Y55 | F29-I32 HydrophobicContact CB-CB 3.96Å; F29-I32 HydrophobicContact CB-CD1 3.94Å; F29-I32 HydrophobicContact CB-CG1 4Å; F29-I32 HydrophobicContact CD1-CD1 3.77Å; F29-I32 HydrophobicContact CG-CD1 4.04Å; F29-I32 PolarHBondContact O-N 2.93Å; I32-W36 HydrophobicContact CG2-CB 3.78Å; I32-W36 HydrophobicContact CG2-CG 4.4Å; I32-F37 HydrophobicContact CB-CD1 3.93Å; I32-F37 HydrophobicContact CB-CE1 4.22Å; I32-F37 HydrophobicContact CG2-CD1 3.72Å; I32-F37 HydrophobicContact CG2-CE1 4.4Å; I32-F37 WeakPolarHBondContact O-CE1 3.33Å; I32-Y55 WeakPolarHBondContact O-CD2 3.4Å; I32-Y55 VanDerWaalsContact O-CE2 3.27Å; I32-Y55 WeakPolarHBondContact O-CE2 3.24Å |
| 33 | P | 90.5 | Very high | 86.8 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | trans | -65.2 | 141.3 | 173.2 | -16 | 26.3 | 0 | 0 | 0 | 111.5 | K35 W36 F37 Y55 | P33-K35 HydrophobicContact CB-CG 4.35Å; P33-K35 PolarHBondContact O-N 2.97Å; P33-W36 PolarHBondContact O-N 3.01Å; P33-F37 WeakPolarHBondContact O-CD1 3.4Å; P33-Y55 HydrophobicContact CB-CE1 4.04Å; P33-Y55 HydrophobicContact CG-CE1 4.1Å | ||
| 34 | P | 89.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -50.2 | -38.5 | -175.1 | -22.9 | 24.6 | 0 | 0 | 0 | 114.5 | L26 W36 F37 V38 I48 L51 | L26-P34 HydrophobicContact CD2-CB 4.42Å; L26-P34 HydrophobicContact CD2-CG 3.75Å; P34-W36 PolarHBondContact O-N 2.91Å; P34-F37 VanDerWaalsContact CA-CE1 3.49Å; P34-F37 PolarHBondContact O-N 3.08Å; P34-F37 VanDerWaalsContact O-N 3.14Å; P34-V38 HydrophobicContact CB-CG2 3.92Å; P34-V38 WeakPolarHBondContact O-CB 2.78Å; P34-V38 WeakPolarHBondContact O-CG2 3.46Å; P34-V38 PolarHBondContact O-N 3.26Å; P34-I48 HydrophobicContact CB-CD1 4.16Å; P34-L51 HydrophobicContact CB-CB 3.85Å; P34-L51 HydrophobicContact CB-CD1 4.5Å; P34-L51 HydrophobicContact CG-CB 3.77Å |
| 35 | K | 88.9 | Confident | 85.6 | Confident | 151 Ų | 151 | 86.4 Ų | 86.4 | 66% | 0.657 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -56.2 | -17.1 | -179.2 | 72.8 | 173.6 | -171.3 | 171 | 0 | 115.4 | P33 | P33-K35 HydrophobicContact CB-CG 4.35Å; P33-K35 PolarHBondContact O-N 2.97Å |
| 36 | W | 89.2 | Confident | 85.4 | Confident | 184 Ų | 184 | 85.8 Ų | 85.8 | 70% | 0.697 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -98.6 | -14 | -176.3 | -64.2 | 96.8 | 0 | 0 | 0 | 114 | I32 P33 P34 | I32-W36 HydrophobicContact CG2-CB 3.78Å; I32-W36 HydrophobicContact CG2-CG 4.4Å; P33-W36 PolarHBondContact O-N 3.01Å; P34-W36 PolarHBondContact O-N 2.91Å |
| 37 | F | 88.9 | Confident | 85.2 | Confident | 38 Ų | 38 | 88.4 Ų | 88.4 | 17% | 0.167 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.4 | -12 | -172.9 | 74.4 | -93.5 | 0 | 0 | 0 | 114.6 | I25 L26 F29 I32 P33 P34 | I25-F37 HydrophobicContact CG2-CE2 3.99Å; L26-F37 HydrophobicContact CD2-CE1 4.25Å; L26-F37 HydrophobicContact CD2-CZ 3.68Å; F29-F37 HydrophobicContact CB-CD1 4.18Å; F29-F37 HydrophobicContact CB-CD2 4.44Å; F29-F37 HydrophobicContact CB-CE1 4.07Å; F29-F37 HydrophobicContact CB-CE2 4.35Å; F29-F37 HydrophobicContact CB-CG 4.34Å; F29-F37 HydrophobicContact CB-CZ 4.15Å; F29-F37 HydrophobicContact CD2-CB 4.16Å; F29-F37 HydrophobicContact CD2-CD1 4.47Å; F29-F37 AromaticContact CD2-CD2 3.52Å; F29-F37 HydrophobicContact CD2-CD2 3.52Å; F29-F37 AromaticContact CD2-CE2 3.94Å; F29-F37 HydrophobicContact CD2-CE2 3.94Å; F29-F37 AromaticContact CD2-CG 3.8Å; F29-F37 HydrophobicContact CD2-CG 3.8Å; F29-F37 HydrophobicContact CE2-CD2 4.24Å; F29-F37 HydrophobicContact CG-CD2 4.4Å; F29-F37 HydrophobicContact CG-CG 4.38Å; I32-F37 HydrophobicContact CB-CD1 3.93Å; I32-F37 HydrophobicContact CB-CE1 4.22Å; I32-F37 HydrophobicContact CG2-CD1 3.72Å; I32-F37 HydrophobicContact CG2-CE1 4.4Å; I32-F37 WeakPolarHBondContact O-CE1 3.33Å; P33-F37 WeakPolarHBondContact O-CD1 3.4Å; P34-F37 VanDerWaalsContact CA-CE1 3.49Å; P34-F37 PolarHBondContact O-N 3.08Å; P34-F37 VanDerWaalsContact O-N 3.14Å |
| 38 | V | 87.7 | Confident | 85.2 | Confident | 14 Ų | 14 | 86.7 Ų | 86.7 | 9% | 0.085 | 42% | 0.424 | C | S | . | . | trans | -90 | 118.6 | 177.1 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | I25 P34 E42 V43 L51 | I25-V38 HydrophobicContact CG2-CG2 3.92Å; P34-V38 HydrophobicContact CB-CG2 3.92Å; P34-V38 WeakPolarHBondContact O-CB 2.78Å; P34-V38 WeakPolarHBondContact O-CG2 3.46Å; P34-V38 PolarHBondContact O-N 3.26Å; V38-E42 HydrophobicContact CG1-CB 3.56Å; V38-V43 HydrophobicContact CB-CG2 4.24Å; V38-V43 HydrophobicContact CG1-CG2 3.55Å; V38-L51 HydrophobicContact CG1-CD1 3.9Å; V38-L51 HydrophobicContact CG2-CD1 4.26Å | ||
| 39 | D | 86.9 | Confident | 85.4 | Confident | 118 Ų | 118 | 84.7 Ų | 84.7 | 63% | 0.631 | 42% | 0.42 | S | S | * | . | trans | -71.1 | 157.8 | 178.5 | -71.1 | -35.9 | 0 | 0 | 0 | 111.5 | E41 E42 V43 | D39-E41 PolarHBondContact O-N 2.68Å; D39-E41 VanDerWaalsContact O-N 3.07Å; D39-E42 PolarHBondContact O-N 3.39Å; D39-E42 VanDerWaalsContact O-N 3.09Å; D39-V43 WeakPolarHBondContact O-CG2 3.31Å; D39-V43 PolarHBondContact O-N 3.14Å; D39-V43 VanDerWaalsContact O-N 3.07Å | ||
| 40 | N | 79.9 | Confident | 85.6 | Confident | 134 Ų | 134 | 80.3 Ų | 80.3 | 72% | 0.717 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.1 | -27.9 | -178.5 | -73.4 | -35.6 | 0 | 0 | 0 | 113.4 | R44 | N40-R44 WeakPolarHBondContact O-CG 3.31Å; N40-R44 PolarHBondContact O-N 3.38Å |
| 41 | E | 80.4 | Confident | 85.9 | Confident | 157 Ų | 157 | 77.3 Ų | 77.3 | 73% | 0.734 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.8 | -44.8 | 176.7 | -65.8 | -173.5 | 172.3 | 0 | 0 | 112.1 | D39 V43 R44 N45 | D39-E41 PolarHBondContact O-N 2.68Å; D39-E41 VanDerWaalsContact O-N 3.07Å; E41-V43 VanDerWaalsContact C-N 3.3Å; E41-V43 PolarHBondContact O-N 2.92Å; E41-R44 PolarHBondContact O-N 2.86Å; E41-N45 PolarHBondContact O-N 3.33Å |
| 42 | E | 76.9 | Confident | 86.2 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 27% | 0.266 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 175.5 | -68.6 | -173.9 | 153.4 | 0 | 0 | 110.9 | I25 K28 V38 D39 R44 N45 I46 | I25-E42 HydrophobicContact CD1-CB 4.44Å; K28-E42 IonicContact NZ-OE1 2.81Å; V38-E42 HydrophobicContact CG1-CB 3.56Å; D39-E42 PolarHBondContact O-N 3.39Å; D39-E42 VanDerWaalsContact O-N 3.09Å; E42-R44 VanDerWaalsContact C-N 3.3Å; E42-R44 PolarHBondContact O-N 2.77Å; E42-N45 PolarHBondContact O-N 3.28Å; E42-I46 PolarHBondContact O-N 3.04Å |
| 43 | V | 76.3 | Confident | 86.4 | Confident | 38 Ų | 38 | 74.8 Ų | 74.8 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.2 | -30.2 | 175.5 | 176.6 | 0 | 0 | 0 | 0 | 113 | V38 D39 E41 I46 I48 | V38-V43 HydrophobicContact CB-CG2 4.24Å; V38-V43 HydrophobicContact CG1-CG2 3.55Å; D39-V43 WeakPolarHBondContact O-CG2 3.31Å; D39-V43 PolarHBondContact O-N 3.14Å; D39-V43 VanDerWaalsContact O-N 3.07Å; E41-V43 VanDerWaalsContact C-N 3.3Å; E41-V43 PolarHBondContact O-N 2.92Å; V43-I46 CarbonylContact C-O 3.41Å; V43-I46 WeakPolarHBondContact CA-O 3.38Å; V43-I46 CarbonylContact O-C 3.33Å; V43-I48 HydrophobicContact CG1-CB 3.86Å; V43-I48 HydrophobicContact CG2-CD1 4.1Å |
| 44 | R | 74.9 | Confident | 86.5 | Confident | 217 Ų | 217 | 73.1 Ų | 73.1 | 82% | 0.819 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.4 | -37.2 | 177.3 | -79 | 174.8 | -178.3 | -167.4 | 2 | 111.9 | N40 E41 E42 | N40-R44 WeakPolarHBondContact O-CG 3.31Å; N40-R44 PolarHBondContact O-N 3.38Å; E41-R44 PolarHBondContact O-N 2.86Å; E42-R44 VanDerWaalsContact C-N 3.3Å; E42-R44 PolarHBondContact O-N 2.77Å |
| 45 | N | 81.3 | Confident | 86.7 | Confident | 121 Ų | 121 | 74.8 Ų | 74.8 | 65% | 0.647 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -77.1 | -35.9 | 178.1 | -65.2 | -17.7 | 0 | 0 | 0 | 111.3 | E41 E42 | E41-N45 PolarHBondContact O-N 3.33Å; E42-N45 PolarHBondContact O-N 3.28Å |
| 46 | I | 84.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -126.9 | 115.5 | -175 | -61.5 | 160 | 0 | 0 | 0 | 109.2 | E21 A22 I25 E42 V43 I48 L50 L51 | E21-I46 HydrophobicContact CB-CD1 4.12Å; E21-I46 HydrophobicContact CG-CD1 3.67Å; A22-I46 HydrophobicContact CB-CG2 3.74Å; I25-I46 HydrophobicContact CD1-CD1 3.22Å; I25-I46 HydrophobicContact CG1-CD1 4.34Å; E42-I46 PolarHBondContact O-N 3.04Å; V43-I46 CarbonylContact C-O 3.41Å; V43-I46 WeakPolarHBondContact CA-O 3.38Å; V43-I46 CarbonylContact O-C 3.33Å; I46-I48 PolarHBondContact O-N 3.47Å; I46-L50 HydrophobicContact CG2-CD2 4.14Å; I46-L51 HydrophobicContact CG2-CD1 4.2Å; I46-L51 HydrophobicContact CG2-CD2 4.23Å; I46-L51 HydrophobicContact CG2-CG 3.88Å |
| 47 | S | 86.9 | Confident | 87 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | trans | -47.7 | 127.7 | 179.6 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | N49 L50 L51 | S47-N49 PolarHBondContact O-N 2.92Å; S47-N49 VanDerWaalsContact O-N 3.08Å; S47-N49 PolarHBondContact OG-N 3.3Å; S47-L50 WeakPolarHBondContact O-CB 3.37Å; S47-L50 PolarHBondContact O-N 3.44Å; S47-L51 PolarHBondContact O-N 3.18Å | ||
| 48 | I | 88.4 | Confident | 87 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.2 | -28.3 | 176 | -167 | 58.8 | 0 | 0 | 0 | 112.7 | P34 V43 I46 L51 N52 | P34-I48 HydrophobicContact CB-CD1 4.16Å; V43-I48 HydrophobicContact CG1-CB 3.86Å; V43-I48 HydrophobicContact CG2-CD1 4.1Å; I46-I48 PolarHBondContact O-N 3.47Å; I48-L51 HydrophobicContact CD1-CD1 4.33Å; I48-N52 WeakPolarHBondContact O-CB 3.39Å; I48-N52 PolarHBondContact O-N 3.04Å; I48-N52 PolarHBondContact O-ND2 2.81Å; I48-N52 VanDerWaalsContact O-ND2 3.11Å |
| 49 | N | 91.3 | Very high | 87.1 | Confident | 96 Ų | 96 | 69 Ų | 69 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.8 | -67.5 | -24.7 | 0 | 0 | 0 | 111.1 | S47 L51 N52 D53 | S47-N49 PolarHBondContact O-N 2.92Å; S47-N49 VanDerWaalsContact O-N 3.08Å; S47-N49 PolarHBondContact OG-N 3.3Å; N49-L51 PolarHBondContact O-N 3.22Å; N49-N52 PolarHBondContact O-N 3.2Å; N49-D53 PolarHBondContact O-N 2.83Å |
| 50 | L | 93.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 176.4 | 173.7 | 56.6 | 0 | 0 | 0 | 111.2 | L10 Y14 K18 I19 A22 I46 S47 N52 D53 I54 | L10-L50 HydrophobicContact CD1-CD1 4.09Å; Y14-L50 HydrophobicContact CD1-CB 4.07Å; Y14-L50 HydrophobicContact CD1-CD1 4.1Å; Y14-L50 HydrophobicContact CD1-CD2 4.24Å; Y14-L50 HydrophobicContact CD1-CG 4.37Å; Y14-L50 HydrophobicContact CD2-CD1 3.65Å; Y14-L50 HydrophobicContact CE1-CB 3.83Å; Y14-L50 HydrophobicContact CE1-CD1 4.42Å; Y14-L50 HydrophobicContact CE2-CD1 3.99Å; Y14-L50 HydrophobicContact CG-CD1 3.69Å; Y14-L50 HydrophobicContact CG-CD2 4.39Å; Y14-L50 HydrophobicContact CG-CG 4.42Å; K18-L50 HydrophobicContact CB-CD2 3.88Å; I19-L50 HydrophobicContact CG1-CD1 4.11Å; A22-L50 HydrophobicContact CB-CD2 3.96Å; A22-L50 HydrophobicContact CB-CG 3.93Å; I46-L50 HydrophobicContact CG2-CD2 4.14Å; S47-L50 WeakPolarHBondContact O-CB 3.37Å; S47-L50 PolarHBondContact O-N 3.44Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 2.86Å; L50-D53 PolarHBondContact O-N 3.35Å; L50-I54 HydrophobicContact CD1-CD1 3.6Å; L50-I54 HydrophobicContact CD1-CG1 4.02Å; L50-I54 HydrophobicContact CG-CD1 3.92Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.44Å; L50-I54 PolarHBondContact O-N 3.48Å |
| 51 | L | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 176.9 | -72.2 | 164.7 | 0 | 0 | 0 | 111.7 | A22 I25 L26 P34 V38 I46 S47 I48 N49 D53 Y55 | A22-L51 HydrophobicContact CB-CD2 3.95Å; I25-L51 HydrophobicContact CB-CD2 4.34Å; I25-L51 HydrophobicContact CG2-CD2 4.19Å; L26-L51 HydrophobicContact CD1-CD2 4.02Å; L26-L51 WeakPolarHBondContact CD1-O 3.28Å; L26-L51 HydrophobicContact CD2-CD2 4.48Å; L26-L51 HydrophobicContact CG-CD2 3.97Å; P34-L51 HydrophobicContact CB-CB 3.85Å; P34-L51 HydrophobicContact CB-CD1 4.5Å; P34-L51 HydrophobicContact CG-CB 3.77Å; V38-L51 HydrophobicContact CG1-CD1 3.9Å; V38-L51 HydrophobicContact CG2-CD1 4.26Å; I46-L51 HydrophobicContact CG2-CD1 4.2Å; I46-L51 HydrophobicContact CG2-CD2 4.23Å; I46-L51 HydrophobicContact CG2-CG 3.88Å; S47-L51 PolarHBondContact O-N 3.18Å; I48-L51 HydrophobicContact CD1-CD1 4.33Å; N49-L51 PolarHBondContact O-N 3.22Å; L51-D53 PolarHBondContact O-N 3.46Å; L51-Y55 VanDerWaalsContact O-CB 3.31Å; L51-Y55 WeakPolarHBondContact O-CB 3.4Å; L51-Y55 PolarHBondContact O-N 2.96Å |
| 52 | N | 93 | Very high | 87.6 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 179 | -80.4 | -38.3 | 0 | 0 | 0 | 112.8 | I48 N49 L50 Y55 K56 | I48-N52 WeakPolarHBondContact O-CB 3.39Å; I48-N52 PolarHBondContact O-N 3.04Å; I48-N52 PolarHBondContact O-ND2 2.81Å; I48-N52 VanDerWaalsContact O-ND2 3.11Å; N49-N52 PolarHBondContact O-N 3.2Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 2.86Å; N52-Y55 PolarHBondContact O-N 3.19Å; N52-K56 WeakPolarHBondContact O-CB 3.49Å; N52-K56 VanDerWaalsContact O-CG 3.24Å; N52-K56 WeakPolarHBondContact O-CG 3.31Å; N52-K56 PolarHBondContact O-N 3.35Å |
| 53 | D | 93.5 | Very high | 87.9 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.7 | -41.3 | -179.3 | -72.2 | -16.9 | 0 | 0 | 0 | 111.9 | N49 L50 L51 Y55 K56 L57 | N49-D53 PolarHBondContact O-N 2.83Å; L50-D53 PolarHBondContact O-N 3.35Å; L51-D53 PolarHBondContact O-N 3.46Å; D53-Y55 VanDerWaalsContact C-N 3.32Å; D53-Y55 PolarHBondContact O-N 2.9Å; D53-K56 PolarHBondContact O-N 3.45Å; D53-K56 IonicContact OD1-NZ 3.23Å; D53-K56 PolarHBondContact OD1-NZ 3.39Å; D53-L57 WeakPolarHBondContact O-CB 3.36Å; D53-L57 WeakPolarHBondContact O-CG 3.36Å; D53-L57 PolarHBondContact O-N 3.32Å |
| 54 | I | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 171.7 | -66.1 | 169.8 | 0 | 0 | 0 | 110.6 | M1 I6 L10 I19 A22 V23 L26 L50 L57 S58 | M1-I54 HydrophobicContact CE-CG2 3.63Å; I6-I54 HydrophobicContact CD1-CG2 4.1Å; I6-I54 HydrophobicContact CG2-CB 4.49Å; I6-I54 HydrophobicContact CG2-CD1 4.46Å; I6-I54 HydrophobicContact CG2-CG1 3.83Å; I6-I54 HydrophobicContact CG2-CG2 4.17Å; L10-I54 HydrophobicContact CD1-CD1 4.39Å; L10-I54 HydrophobicContact CD1-CG1 3.49Å; L10-I54 VanDerWaalsContact CD1-CG1 3.49Å; I19-I54 HydrophobicContact CG2-CD1 4.35Å; A22-I54 HydrophobicContact CB-CD1 3.4Å; V23-I54 HydrophobicContact CG2-CD1 4.17Å; V23-I54 HydrophobicContact CG2-CG2 4.01Å; L26-I54 HydrophobicContact CD1-CB 3.55Å; L26-I54 HydrophobicContact CD1-CG2 3.35Å; L50-I54 HydrophobicContact CD1-CD1 3.6Å; L50-I54 HydrophobicContact CD1-CG1 4.02Å; L50-I54 HydrophobicContact CG-CD1 3.92Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.44Å; L50-I54 PolarHBondContact O-N 3.48Å; I54-L57 PolarHBondContact O-N 3.13Å; I54-S58 VanDerWaalsContact O-CB 3.31Å; I54-S58 WeakPolarHBondContact O-CB 3.39Å; I54-S58 PolarHBondContact O-N 3.31Å; I54-S58 PolarHBondContact O-OG 3.49Å |
| 55 | Y | 93.5 | Very high | 88 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 14% | 0.137 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 176.4 | 174.3 | -101.7 | 0 | 0 | 0 | 111.9 | S31 I32 P33 L51 N52 D53 S58 R59 | S31-Y55 PolarHBondContact O-OH 3.01Å; I32-Y55 WeakPolarHBondContact O-CD2 3.4Å; I32-Y55 VanDerWaalsContact O-CE2 3.27Å; I32-Y55 WeakPolarHBondContact O-CE2 3.24Å; P33-Y55 HydrophobicContact CB-CE1 4.04Å; P33-Y55 HydrophobicContact CG-CE1 4.1Å; L51-Y55 VanDerWaalsContact O-CB 3.31Å; L51-Y55 WeakPolarHBondContact O-CB 3.4Å; L51-Y55 PolarHBondContact O-N 2.96Å; N52-Y55 PolarHBondContact O-N 3.19Å; D53-Y55 VanDerWaalsContact C-N 3.32Å; D53-Y55 PolarHBondContact O-N 2.9Å; Y55-S58 PolarHBondContact O-N 3.47Å; Y55-R59 WeakPolarHBondContact O-CB 3.46Å; Y55-R59 PolarHBondContact O-N 2.9Å |
| 56 | K | 92.8 | Very high | 87 | Confident | 101 Ų | 101 | 65 Ų | 65 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 178.1 | -73.4 | 168.5 | -166.6 | 160.9 | 0 | 111.9 | N52 D53 S58 R59 R60 | N52-K56 WeakPolarHBondContact O-CB 3.49Å; N52-K56 VanDerWaalsContact O-CG 3.24Å; N52-K56 WeakPolarHBondContact O-CG 3.31Å; N52-K56 PolarHBondContact O-N 3.35Å; D53-K56 PolarHBondContact O-N 3.45Å; D53-K56 IonicContact OD1-NZ 3.23Å; D53-K56 PolarHBondContact OD1-NZ 3.39Å; K56-S58 PolarHBondContact O-N 3.4Å; K56-R59 PolarHBondContact O-N 3.34Å; K56-R60 WeakPolarHBondContact O-CB 3.4Å; K56-R60 WeakPolarHBondContact O-CG 3.27Å; K56-R60 PolarHBondContact O-N 3.08Å |
| 57 | L | 91.3 | Very high | 85.7 | Confident | 27 Ų | 27 | 70.5 Ų | 70.5 | 14% | 0.141 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.2 | -41.4 | 178.1 | -75.4 | 174.1 | 0 | 0 | 0 | 111.1 | I9 L10 D53 I54 R60 R61 | I9-L57 HydrophobicContact CB-CD1 4.4Å; I9-L57 HydrophobicContact CD1-CD2 4.3Å; I9-L57 HydrophobicContact CG2-CD1 3.89Å; I9-L57 HydrophobicContact CG2-CD2 4.29Å; L10-L57 HydrophobicContact CD1-CD1 3.98Å; L10-L57 HydrophobicContact CD2-CD1 4.13Å; L10-L57 HydrophobicContact CG-CD1 3.94Å; D53-L57 WeakPolarHBondContact O-CB 3.36Å; D53-L57 WeakPolarHBondContact O-CG 3.36Å; D53-L57 PolarHBondContact O-N 3.32Å; I54-L57 PolarHBondContact O-N 3.13Å; L57-R60 PolarHBondContact O-N 3.42Å; L57-R61 PolarHBondContact O-N 3.11Å |
| 58 | S | 89.2 | Confident | 84.2 | Confident | 7 Ų | 7 | 76 Ų | 76 | 5% | 0.049 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -76.9 | -36.9 | -175.8 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | M1 I54 Y55 K56 R61 R62 | M1-S58 WeakPolarHBondContact CE-OG 3.21Å; I54-S58 VanDerWaalsContact O-CB 3.31Å; I54-S58 WeakPolarHBondContact O-CB 3.39Å; I54-S58 PolarHBondContact O-N 3.31Å; I54-S58 PolarHBondContact O-OG 3.49Å; Y55-S58 PolarHBondContact O-N 3.47Å; K56-S58 PolarHBondContact O-N 3.4Å; S58-R61 PolarHBondContact O-N 3.14Å; S58-R62 WeakPolarHBondContact O-CG 3.48Å; S58-R62 PolarHBondContact O-N 3.17Å |
| 59 | R | 89.6 | Confident | 82.4 | Confident | 131 Ų | 131 | 81.4 Ų | 81.4 | 49% | 0.494 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 168.8 | -177.1 | 176.6 | -178.5 | -89.8 | -0.5 | 111.1 | Y55 K56 R61 R62 I63 | Y55-R59 WeakPolarHBondContact O-CB 3.46Å; Y55-R59 PolarHBondContact O-N 2.9Å; K56-R59 PolarHBondContact O-N 3.34Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 3.36Å; R59-R62 PolarHBondContact O-N 3.23Å; R59-I63 HydrophobicContact CG-CD1 3.95Å; R59-I63 WeakPolarHBondContact O-CG1 3.33Å; R59-I63 PolarHBondContact O-N 2.96Å |
| 60 | R | 88.3 | Confident | 80.3 | Confident | 151 Ų | 151 | 82.1 Ų | 82.1 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.1 | -44 | 176.5 | -73.8 | 175.3 | -174.3 | 164.4 | 1.4 | 111.3 | K56 L57 R62 I63 N64 | K56-R60 WeakPolarHBondContact O-CB 3.4Å; K56-R60 WeakPolarHBondContact O-CG 3.27Å; K56-R60 PolarHBondContact O-N 3.08Å; L57-R60 PolarHBondContact O-N 3.42Å; R60-R62 PolarHBondContact O-N 3.36Å; R60-I63 PolarHBondContact O-N 3.03Å; R60-N64 WeakPolarHBondContact O-CB 3.42Å; R60-N64 VanDerWaalsContact O-CG 3.25Å; R60-N64 PolarHBondContact O-N 3.28Å |
| 61 | R | 85.8 | Confident | 78.2 | Confident | 78 Ų | 78 | 90.2 Ų | 90.2 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 175.8 | -78.8 | -163.8 | 178.8 | 125.6 | 18.5 | 113.1 | I5 L57 S58 R59 I63 N64 S65 | I5-R61 PolarHBondContact O-NH2 3.23Å; L57-R61 PolarHBondContact O-N 3.11Å; S58-R61 PolarHBondContact O-N 3.14Å; R59-R61 VanDerWaalsContact C-N 3.32Å; R59-R61 PolarHBondContact O-N 3.36Å; R61-I63 VanDerWaalsContact C-N 3.33Å; R61-I63 PolarHBondContact O-N 3.48Å; R61-N64 PolarHBondContact O-N 2.94Å; R61-S65 VanDerWaalsContact O-CB 3.24Å; R61-S65 WeakPolarHBondContact O-CB 3.24Å; R61-S65 PolarHBondContact O-N 3.23Å; R61-S65 PolarHBondContact O-OG 3.48Å; R61-S65 VanDerWaalsContact O-OG 3.12Å |
| 62 | R | 83.1 | Confident | 76 | Confident | 87 Ų | 87 | 98.6 Ų | 98.6 | 33% | 0.328 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 178.4 | -70.6 | -171.4 | -59.1 | -100.9 | 7.3 | 113 | P30 S58 R59 R60 S65 R66 | P30-R62 PolarHBondContact O-NH1 2.91Å; P30-R62 PolarHBondContact O-NH2 3.43Å; S58-R62 WeakPolarHBondContact O-CG 3.48Å; S58-R62 PolarHBondContact O-N 3.17Å; R59-R62 PolarHBondContact O-N 3.23Å; R60-R62 PolarHBondContact O-N 3.36Å; R62-S65 WeakPolarHBondContact CA-OG 3.46Å; R62-S65 PolarHBondContact O-OG 3.26Å; R62-S65 VanDerWaalsContact O-OG 3.04Å; R62-R66 WeakPolarHBondContact O-CG 3.48Å; R62-R66 PolarHBondContact O-N 2.81Å |
| 63 | I | 83.2 | Confident | 73.7 | Confident | 75 Ų | 75 | 98.5 Ų | 98.5 | 39% | 0.385 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.8 | -48.5 | 176.6 | -66.9 | 167.6 | 0 | 0 | 0 | 109.5 | R59 R60 R61 S65 R66 L67 | R59-I63 HydrophobicContact CG-CD1 3.95Å; R59-I63 WeakPolarHBondContact O-CG1 3.33Å; R59-I63 PolarHBondContact O-N 2.96Å; R60-I63 PolarHBondContact O-N 3.03Å; R61-I63 VanDerWaalsContact C-N 3.33Å; R61-I63 PolarHBondContact O-N 3.48Å; I63-S65 PolarHBondContact O-N 2.99Å; I63-R66 PolarHBondContact O-N 2.97Å; I63-L67 PolarHBondContact O-N 3.41Å |
| 64 | N | 80.1 | Confident | 70.8 | Confident | 98 Ų | 98 | 102.5 Ų | 102.5 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.4 | -28.4 | -177.4 | -65.7 | -3.8 | 0 | 0 | 0 | 113.1 | R60 R61 L67 | R60-N64 WeakPolarHBondContact O-CB 3.42Å; R60-N64 VanDerWaalsContact O-CG 3.25Å; R60-N64 PolarHBondContact O-N 3.28Å; R61-N64 PolarHBondContact O-N 2.94Å; N64-L67 PolarHBondContact O-N 3.41Å |
| 65 | S | 72.9 | Confident | 68.7 | Low | 69 Ų | 69 | 108.1 Ų | 108.1 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.8 | -34.3 | 175 | 65.5 | 0 | 0 | 0 | 0 | 111.7 | R61 R62 I63 L67 K68 | R61-S65 VanDerWaalsContact O-CB 3.24Å; R61-S65 WeakPolarHBondContact O-CB 3.24Å; R61-S65 PolarHBondContact O-N 3.23Å; R61-S65 PolarHBondContact O-OG 3.48Å; R61-S65 VanDerWaalsContact O-OG 3.12Å; R62-S65 WeakPolarHBondContact CA-OG 3.46Å; R62-S65 PolarHBondContact O-OG 3.26Å; R62-S65 VanDerWaalsContact O-OG 3.04Å; I63-S65 PolarHBondContact O-N 2.99Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-K68 PolarHBondContact O-N 3.4Å |
| 66 | R | 61.3 | Low | 66.1 | Low | 200 Ų | 200 | 115.6 Ų | 115.6 | 76% | 0.755 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.9 | -36.8 | 174.9 | -79.8 | -175.4 | 175.5 | -149.4 | -1.7 | 112.1 | R62 I63 K68 M69 | R62-R66 WeakPolarHBondContact O-CG 3.48Å; R62-R66 PolarHBondContact O-N 2.81Å; I63-R66 PolarHBondContact O-N 2.97Å; R66-K68 PolarHBondContact O-N 3.42Å; R66-M69 PolarHBondContact O-N 3Å; R66-M69 VanDerWaalsContact O-N 3.16Å |
| 67 | L | 57.1 | Low | 63.5 | Low | 118 Ų | 118 | 116.5 Ų | 116.5 | 62% | 0.618 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.8 | -22.3 | 176.7 | -68.9 | 170.7 | 0 | 0 | 0 | 113.3 | I63 N64 S65 | I63-L67 PolarHBondContact O-N 3.41Å; N64-L67 PolarHBondContact O-N 3.41Å; S65-L67 VanDerWaalsContact C-N 3.33Å |
| 68 | K | 54.9 | Low | 61.2 | Low | 172 Ų | 172 | 118 Ų | 118 | 75% | 0.748 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -8.8 | 177.6 | -66.4 | -165.1 | 175.2 | -165.7 | 0 | 114.7 | S65 R66 | S65-K68 PolarHBondContact O-N 3.4Å; R66-K68 PolarHBondContact O-N 3.42Å |
| 69 | M | 51.2 | Low | 59 | Low | 169 Ų | 169 | 126.4 Ų | 126.4 | 83% | 0.833 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -7.8 | -180 | -95.4 | -165.4 | 83 | 0 | 0 | 114.3 | R66 E71 | R66-M69 PolarHBondContact O-N 3Å; R66-M69 VanDerWaalsContact O-N 3.16Å; M69-E71 VanDerWaalsContact C-N 3.34Å |
| 70 | E | 46.9 | Very low | 56.6 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 51% | 0.514 | 65% | 0.648 | S | S | . | * | trans | -93.4 | 18.8 | 176.2 | -67.9 | -161.6 | 171.6 | 0 | 0 | 114 | N72 G73 L75 | E70-N72 PolarHBondContact O-N 3.37Å; E70-N72 VanDerWaalsContact O-N 3.13Å; E70-G73 PolarHBondContact O-N 3.08Å; E70-G73 VanDerWaalsContact O-N 3.15Å; E70-L75 HydrophobicContact CB-CD1 4.1Å; E70-L75 WeakPolarHBondContact OE2-CD1 3.39Å; E70-L75 WeakPolarHBondContact OE2-CG 3.46Å | ||
| 71 | E | 49.5 | Very low | 54.3 | Low | 173 Ų | 173 | 126.4 Ų | 126.4 | 81% | 0.808 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -1.2 | 174 | -96.2 | -179.1 | 165.2 | 0 | 0 | 114.6 | M69 | M69-E71 VanDerWaalsContact C-N 3.34Š|
| 72 | N | 46.2 | Very low | 52.4 | Low | 176 Ų | 176 | 127.8 Ų | 127.8 | 94% | 0.941 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | 21.3 | 168.8 | -74.4 | -22.9 | 0 | 0 | 0 | 113.8 | E70 | E70-N72 PolarHBondContact O-N 3.37Å; E70-N72 VanDerWaalsContact O-N 3.13Å |
| 73 | G | 44.3 | Very low | 50.5 | Low | 43 Ų | 43 | 129.8 Ų | 129.8 | 44% | 0.443 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -147.3 | 61.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E70 L75 | E70-G73 PolarHBondContact O-N 3.08Å; E70-G73 VanDerWaalsContact O-N 3.15Å; G73-L75 PolarHBondContact O-N 3.41Å; G73-L75 VanDerWaalsContact O-N 3.12Å |
| 74 | T | 33.7 | Very low | 48.7 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 71% | 0.709 | S | S | * | * | trans | 32.3 | 66.5 | 163.2 | -38.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 75 | L | 47.8 | Very low | 47.2 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 61% | 0.613 | 73% | 0.729 | S | S | * | * | trans | -89.8 | 107.2 | 153.3 | -81.2 | 175.8 | 0 | 0 | 0 | 107.4 | E70 G73 S77 | E70-L75 HydrophobicContact CB-CD1 4.1Å; E70-L75 WeakPolarHBondContact OE2-CD1 3.39Å; E70-L75 WeakPolarHBondContact OE2-CG 3.46Å; G73-L75 PolarHBondContact O-N 3.41Å; G73-L75 VanDerWaalsContact O-N 3.12Å; L75-S77 PolarHBondContact O-N 2.92Å | ||
| 76 | K | 38.4 | Very low | 46.1 | Very low | 193 Ų | 193 | 142 Ų | 142 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | trans | -54.8 | 107.4 | 174.2 | -69.5 | -165 | 173.3 | -169.6 | 0 | 109.7 | ||||
| 77 | S | 38.1 | Very low | 45.6 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -66.9 | 144.9 | 146.7 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | L75 | L75-S77 PolarHBondContact O-N 2.92Š| ||
| 78 | G | 44.4 | Very low | 45.3 | Very low | 58 Ų | 58 | 135.8 Ų | 135.8 | 60% | 0.598 | 74% | 0.74 | S | S | * | * | trans | 143.1 | 79.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | D80 | G78-D80 PolarHBondContact O-N 3.19Š| ||
| 79 | E | 41.3 | Very low | 45.4 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | 36.8 | 77.9 | 85.8 | -75.7 | -177.7 | 157.8 | 0 | 0 | 109.9 | |||||
| 80 | D | 40.3 | Very low | 45.7 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | trans | 173.3 | 94.8 | 130.9 | -87.9 | -24.6 | 0 | 0 | 0 | 107 | G78 D82 | G78-D80 PolarHBondContact O-N 3.19Å; D80-D82 PolarHBondContact O-N 3.17Å | ||
| 81 | C | 40 | Very low | 46.3 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 91% | 0.905 | 73% | 0.727 | S | S | * | * | trans | -70.8 | 66.1 | 158.7 | -76.6 | 0 | 0 | 0 | 0 | 108.6 | V83 | C81-V83 PolarHBondContact O-N 3.09Š| ||
| 82 | D | 45.1 | Very low | 46.8 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 57% | 0.567 | 70% | 0.7 | S | S | * | * | trans | -82.3 | 94.7 | 165.3 | -152.8 | 21.9 | 0 | 0 | 0 | 105.5 | D80 K84 | D80-D82 PolarHBondContact O-N 3.17Å; D82-K84 PolarHBondContact O-N 3.02Å; D82-K84 WeakPolarHBondContact OD2-CE 3.4Å; D82-K84 IonicContact OD2-NZ 2.76Å; D82-K84 PolarHBondContact OD2-NZ 3.11Å | ||
| 83 | V | 43.5 | Very low | 48.1 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 78% | 0.782 | 69% | 0.691 | S | S | * | * | trans | -67.4 | 72.1 | 179.8 | -175 | 0 | 0 | 0 | 0 | 108.7 | C81 L85 | C81-V83 PolarHBondContact O-N 3.09Å; V83-L85 PolarHBondContact O-N 2.99Å | ||
| 84 | K | 46.3 | Very low | 49.3 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | trans | -84 | 107.9 | 162.8 | -78.8 | 173.9 | 178.7 | 132.2 | 0 | 106.4 | D82 K86 | D82-K84 PolarHBondContact O-N 3.02Å; D82-K84 WeakPolarHBondContact OD2-CE 3.4Å; D82-K84 IonicContact OD2-NZ 2.76Å; D82-K84 PolarHBondContact OD2-NZ 3.11Å; K84-K86 PolarHBondContact O-N 3.43Å | ||
| 85 | L | 47.5 | Very low | 50.9 | Low | 177 Ų | 177 | 127 Ų | 127 | 93% | 0.927 | 68% | 0.68 | S | S | * | * | trans | -45.1 | 88.8 | 163.8 | -86.9 | 120.6 | 0 | 0 | 0 | 109.9 | V83 | V83-L85 PolarHBondContact O-N 2.99Š| ||
| 86 | K | 49.8 | Very low | 52 | Low | 178 Ų | 178 | 127.1 Ų | 127.1 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | trans | -114.1 | 107 | 167.5 | -78.3 | -173.5 | 176 | -179.4 | 0 | 105.5 | K84 | K84-K86 PolarHBondContact O-N 3.43Š| ||
| 87 | S | 52.1 | Low | 53.5 | Low | 99 Ų | 99 | 124.7 Ų | 124.7 | 69% | 0.692 | 67% | 0.669 | S | S | * | * | trans | 23.4 | 107.2 | 159 | -174.5 | 0 | 0 | 0 | 0 | 115 | V89 | S87-V89 PolarHBondContact O-N 3.08Å; S87-V89 WeakPolarHBondContact OG-CG2 3.5Å | ||
| 88 | S | 49.6 | Very low | 55.3 | Low | 90 Ų | 90 | 125.9 Ų | 125.9 | 63% | 0.629 | 66% | 0.661 | S | S | * | * | trans | -66.2 | 67.1 | 169.3 | 43.7 | 0 | 0 | 0 | 0 | 111.1 | I90 | S88-I90 PolarHBondContact O-N 3.24Š| ||
| 89 | V | 58.2 | Low | 56.4 | Low | 96 Ų | 96 | 125.5 Ų | 125.5 | 58% | 0.582 | 65% | 0.645 | S | S | * | * | trans | -77 | 99.4 | 160.2 | -176 | 0 | 0 | 0 | 0 | 105.4 | S87 R91 | S87-V89 PolarHBondContact O-N 3.08Å; S87-V89 WeakPolarHBondContact OG-CG2 3.5Å; V89-R91 VanDerWaalsContact C-N 3.33Å; V89-R91 PolarHBondContact O-N 3.41Å | ||
| 90 | I | 57.2 | Low | 57.6 | Low | 80 Ų | 80 | 120.7 Ų | 120.7 | 41% | 0.41 | 62% | 0.622 | S | S | . | * | trans | -65.3 | 97.2 | 173.3 | -61.9 | 171.2 | 0 | 0 | 0 | 106.5 | S88 S92 I105 I107 | S88-I90 PolarHBondContact O-N 3.24Å; I90-S92 PolarHBondContact O-N 2.85Å; I90-I105 HydrophobicContact CB-CD1 4.3Å; I90-I105 HydrophobicContact CD1-CG2 4.45Å; I90-I107 HydrophobicContact CD1-CD1 3.56Å | ||
| 91 | R | 58.5 | Low | 59 | Low | 218 Ų | 218 | 118 Ų | 118 | 82% | 0.823 | 61% | 0.614 | S | S | * | * | trans | -75.4 | 98.3 | 167.4 | -83.6 | -175.4 | 172.3 | -177.9 | -3.4 | 107.6 | V89 | V89-R91 VanDerWaalsContact C-N 3.33Å; V89-R91 PolarHBondContact O-N 3.41Å | ||
| 92 | S | 61.6 | Low | 60.3 | Low | 35 Ų | 35 | 116.4 Ų | 116.4 | 25% | 0.245 | 60% | 0.6 | C | S | . | * | trans | -67.8 | 129.1 | 166.2 | 172.9 | 0 | 0 | 0 | 0 | 108.7 | I90 Y94 I95 | I90-S92 PolarHBondContact O-N 2.85Å; S92-Y94 PolarHBondContact O-N 2.94Å; S92-Y94 VanDerWaalsContact O-N 3.14Å; S92-Y94 PolarHBondContact OG-N 3.21Å; S92-I95 PolarHBondContact O-N 3.43Å | ||
| 93 | P | 72 | Confident | 61.1 | Low | 118 Ų | 118 | 118 Ų | 118 | 77% | 0.766 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -6.7 | 177.8 | 28.5 | -33.7 | 0 | 0 | 0 | 113.2 | ||
| 94 | Y | 69.9 | Low | 62 | Low | 203 Ų | 203 | 118.8 Ų | 118.8 | 80% | 0.796 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -5.6 | -178.2 | -55.7 | -71.8 | 0 | 0 | 0 | 114 | S92 | S92-Y94 PolarHBondContact O-N 2.94Å; S92-Y94 VanDerWaalsContact O-N 3.14Å; S92-Y94 PolarHBondContact OG-N 3.21Å |
| 95 | I | 67.1 | Low | 62.9 | Low | 42 Ų | 42 | 113.5 Ų | 113.5 | 22% | 0.215 | 57% | 0.567 | C | S | . | * | trans | -113.2 | 110 | -176.4 | -60.8 | 173.9 | 0 | 0 | 0 | 106.9 | S92 D99 K100 Y103 | S92-I95 PolarHBondContact O-N 3.43Å; I95-D99 HydrophobicContact CB-CB 4.33Å; I95-D99 HydrophobicContact CG2-CB 3.54Å; I95-K100 HydrophobicContact CG2-CG 3.97Å; I95-Y103 HydrophobicContact CD1-CG 4.33Å | ||
| 96 | Q | 70.9 | Confident | 64 | Low | 118 Ų | 118 | 110.2 Ų | 110.2 | 55% | 0.551 | 56% | 0.556 | S | S | * | * | trans | -71.3 | 166.9 | 171.7 | -60.9 | -174.7 | -23.6 | 0 | 0 | 110.2 | E98 D99 K100 | Q96-E98 PolarHBondContact O-N 2.93Å; Q96-D99 WeakPolarHBondContact CB-OD2 3.47Å; Q96-D99 PolarHBondContact N-OD2 3.05Å; Q96-D99 WeakPolarHBondContact O-CB 3.41Å; Q96-D99 PolarHBondContact O-N 2.93Å; Q96-K100 PolarHBondContact O-N 3.14Å | ||
| 97 | E | 70.6 | Confident | 65.1 | Low | 143 Ų | 143 | 105.8 Ų | 105.8 | 67% | 0.668 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -36.3 | -179.7 | -152.7 | 80.3 | -153.3 | 0 | 0 | 111.5 | D99 K100 | E97-D99 VanDerWaalsContact C-N 3.34Å; E97-K100 WeakPolarHBondContact O-CB 3.36Å; E97-K100 PolarHBondContact O-N 2.99Å; E97-K100 IonicContact OE1-NZ 2.68Å; E97-K100 PolarHBondContact OE1-NZ 3.41Å; E97-K100 IonicContact OE2-NZ 2.91Å; E97-K100 PolarHBondContact OE2-NZ 2.64Å |
| 98 | E | 74.9 | Confident | 65.9 | Low | 144 Ų | 144 | 104.1 Ų | 104.1 | 67% | 0.673 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -64.3 | -36.3 | 176.2 | -54.6 | 155.6 | -129.2 | 0 | 0 | 112.4 | Q96 K100 S101 | Q96-E98 PolarHBondContact O-N 2.93Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 2.89Å; E98-S101 PolarHBondContact O-OG 3.05Å |
| 99 | D | 69.1 | Low | 66.8 | Low | 49 Ų | 49 | 102.6 Ų | 102.6 | 26% | 0.262 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -75.8 | -18.3 | -177 | -66.1 | -41.6 | 0 | 0 | 0 | 112.1 | I95 Q96 E97 S101 T102 Y103 | I95-D99 HydrophobicContact CB-CB 4.33Å; I95-D99 HydrophobicContact CG2-CB 3.54Å; Q96-D99 WeakPolarHBondContact CB-OD2 3.47Å; Q96-D99 PolarHBondContact N-OD2 3.05Å; Q96-D99 WeakPolarHBondContact O-CB 3.41Å; Q96-D99 PolarHBondContact O-N 2.93Å; E97-D99 VanDerWaalsContact C-N 3.34Å; D99-S101 PolarHBondContact O-N 3.24Å; D99-T102 WeakPolarHBondContact O-CA 3.4Å; D99-T102 WeakPolarHBondContact O-CB 3.44Å; D99-T102 PolarHBondContact O-N 3.46Å; D99-Y103 HydrophobicContact CB-CD2 3.91Å; D99-Y103 HydrophobicContact CB-CE2 4.25Å; D99-Y103 WeakPolarHBondContact O-CD2 3.35Å; D99-Y103 PolarHBondContact O-N 3.42Å |
| 100 | K | 66.4 | Low | 67.6 | Low | 84 Ų | 84 | 105.1 Ų | 105.1 | 37% | 0.365 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -62.1 | -27.2 | -177.1 | -65.6 | -178.8 | -172.7 | 169.4 | 0 | 113.1 | I95 Q96 E97 E98 T102 | I95-K100 HydrophobicContact CG2-CG 3.97Å; Q96-K100 PolarHBondContact O-N 3.14Å; E97-K100 WeakPolarHBondContact O-CB 3.36Å; E97-K100 PolarHBondContact O-N 2.99Å; E97-K100 IonicContact OE1-NZ 2.68Å; E97-K100 PolarHBondContact OE1-NZ 3.41Å; E97-K100 IonicContact OE2-NZ 2.91Å; E97-K100 PolarHBondContact OE2-NZ 2.64Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 PolarHBondContact O-N 2.89Å; K100-T102 VanDerWaalsContact C-N 3.3Å |
| 101 | S | 68.5 | Low | 68.6 | Low | 91 Ų | 91 | 105.4 Ų | 105.4 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -70.9 | -28.8 | 173.8 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | E98 D99 W104 | E98-S101 PolarHBondContact O-OG 3.05Å; D99-S101 PolarHBondContact O-N 3.24Å; S101-W104 PolarHBondContact O-NE1 2.95Å |
| 102 | T | 68.5 | Low | 69.4 | Low | 101 Ų | 101 | 97.1 Ų | 97.1 | 62% | 0.62 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -45.1 | -177.2 | -52.5 | 0 | 0 | 0 | 0 | 111 | D99 K100 W104 | D99-T102 WeakPolarHBondContact O-CA 3.4Å; D99-T102 WeakPolarHBondContact O-CB 3.44Å; D99-T102 PolarHBondContact O-N 3.46Å; K100-T102 VanDerWaalsContact C-N 3.3Å; T102-W104 PolarHBondContact O-N 2.92Å |
| 103 | Y | 60.6 | Low | 70.2 | Confident | 139 Ų | 139 | 98.9 Ų | 98.9 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | trans | -98.7 | 86.5 | -179.6 | -62.3 | -84.2 | 0 | 0 | 0 | 109.4 | I95 D99 I105 | I95-Y103 HydrophobicContact CD1-CG 4.33Å; D99-Y103 HydrophobicContact CB-CD2 3.91Å; D99-Y103 HydrophobicContact CB-CE2 4.25Å; D99-Y103 WeakPolarHBondContact O-CD2 3.35Å; D99-Y103 PolarHBondContact O-N 3.42Å; Y103-I105 PolarHBondContact O-N 3.46Å | ||
| 104 | W | 62.7 | Low | 70.6 | Confident | 146 Ų | 146 | 95.1 Ų | 95.1 | 55% | 0.553 | 47% | 0.471 | S | S | * | . | trans | -65.4 | 109.2 | 165.2 | -74.1 | 56.9 | 0 | 0 | 0 | 108.3 | S101 T102 V109 T112 | S101-W104 PolarHBondContact O-NE1 2.95Å; T102-W104 PolarHBondContact O-N 2.92Å; W104-V109 HydrophobicContact CB-CG2 3.43Å; W104-V109 VanDerWaalsContact CB-CG2 3.43Å; W104-V109 HydrophobicContact CD2-CG2 4.36Å; W104-V109 HydrophobicContact CE3-CB 4.39Å; W104-V109 HydrophobicContact CE3-CG2 3.86Å; W104-V109 HydrophobicContact CG-CG2 4.26Å; W104-T112 HydrophobicContact CH2-CG2 4.18Å; W104-T112 HydrophobicContact CZ3-CG2 3.96Å | ||
| 105 | I | 64.9 | Low | 71.1 | Confident | 33 Ų | 33 | 91 Ų | 91 | 17% | 0.169 | 46% | 0.459 | C | S | . | . | trans | -56.8 | 130 | 172.2 | -58.2 | 177.6 | 0 | 0 | 0 | 106.4 | I90 Y103 I107 D108 V109 | I90-I105 HydrophobicContact CB-CD1 4.3Å; I90-I105 HydrophobicContact CD1-CG2 4.45Å; Y103-I105 PolarHBondContact O-N 3.46Å; I105-I107 HydrophobicContact CG2-CB 4.33Å; I105-I107 PolarHBondContact O-N 3.36Å; I105-D108 HydrophobicContact CB-CB 4.31Å; I105-D108 WeakPolarHBondContact O-CA 3.31Å; I105-D108 WeakPolarHBondContact O-CB 3.4Å; I105-D108 PolarHBondContact O-N 2.96Å; I105-V109 PolarHBondContact O-N 2.91Å | ||
| 106 | P | 71.4 | Confident | 71.5 | Confident | 107 Ų | 107 | 93.3 Ų | 93.3 | 70% | 0.695 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -52.3 | -32.4 | -175.5 | -30.7 | 35.2 | 0 | 0 | 0 | 114.2 | V109 F110 | P106-V109 PolarHBondContact O-N 3.01Å; P106-F110 WeakPolarHBondContact O-CB 3.41Å; P106-F110 PolarHBondContact O-N 2.76Å |
| 107 | I | 72.2 | Confident | 71.8 | Confident | 86 Ų | 86 | 93.6 Ų | 93.6 | 44% | 0.441 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 174.1 | -73.2 | 167.1 | 0 | 0 | 0 | 111.9 | I90 I105 F110 K111 | I90-I107 HydrophobicContact CD1-CD1 3.56Å; I105-I107 HydrophobicContact CG2-CB 4.33Å; I105-I107 PolarHBondContact O-N 3.36Å; I107-F110 PolarHBondContact O-N 2.99Å; I107-K111 HydrophobicContact CG2-CD 4.37Å; I107-K111 WeakPolarHBondContact O-CG 3.3Å; I107-K111 PolarHBondContact O-N 3.18Å |
| 108 | D | 69.4 | Low | 72 | Confident | 63 Ų | 63 | 91.7 Ų | 91.7 | 34% | 0.337 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.6 | -36.4 | 178 | -64.7 | -26.3 | 0 | 0 | 0 | 111 | I105 F110 K111 T112 | I105-D108 HydrophobicContact CB-CB 4.31Å; I105-D108 WeakPolarHBondContact O-CA 3.31Å; I105-D108 WeakPolarHBondContact O-CB 3.4Å; I105-D108 PolarHBondContact O-N 2.96Å; D108-F110 VanDerWaalsContact C-N 3.32Å; D108-F110 PolarHBondContact O-N 3.42Å; D108-K111 PolarHBondContact O-N 3.41Å; D108-T112 WeakPolarHBondContact O-CB 3.45Å; D108-T112 PolarHBondContact O-N 3.44Å; D108-T112 PolarHBondContact O-OG1 3.05Å |
| 109 | V | 68.8 | Low | 72.1 | Confident | 58 Ų | 58 | 90.5 Ų | 90.5 | 35% | 0.352 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -55.8 | -50.5 | 167.1 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | W104 I105 P106 K111 T112 V113 | W104-V109 HydrophobicContact CB-CG2 3.43Å; W104-V109 VanDerWaalsContact CB-CG2 3.43Å; W104-V109 HydrophobicContact CD2-CG2 4.36Å; W104-V109 HydrophobicContact CE3-CB 4.39Å; W104-V109 HydrophobicContact CE3-CG2 3.86Å; W104-V109 HydrophobicContact CG-CG2 4.26Å; I105-V109 PolarHBondContact O-N 2.91Å; P106-V109 PolarHBondContact O-N 3.01Å; V109-K111 PolarHBondContact O-N 3.07Å; V109-T112 PolarHBondContact O-N 3.07Å; V109-V113 HydrophobicContact CG1-CG2 4.22Å; V109-V113 VanDerWaalsContact O-CG2 3.3Å; V109-V113 WeakPolarHBondContact O-CG2 3.39Å; V109-V113 PolarHBondContact O-N 3.49Å |
| 110 | F | 75 | Confident | 72.4 | Confident | 149 Ų | 149 | 91 Ų | 91 | 65% | 0.654 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.4 | -49.2 | -178.7 | -172.2 | -92.9 | 0 | 0 | 0 | 111.7 | P106 I107 D108 T112 V113 S114 | P106-F110 WeakPolarHBondContact O-CB 3.41Å; P106-F110 PolarHBondContact O-N 2.76Å; I107-F110 PolarHBondContact O-N 2.99Å; D108-F110 VanDerWaalsContact C-N 3.32Å; D108-F110 PolarHBondContact O-N 3.42Å; F110-T112 VanDerWaalsContact C-N 3.32Å; F110-T112 PolarHBondContact O-N 3.33Å; F110-V113 PolarHBondContact O-N 3.19Å; F110-S114 WeakPolarHBondContact O-CB 3.48Å; F110-S114 PolarHBondContact O-N 2.9Å; F110-S114 PolarHBondContact O-OG 3.31Å; F110-S114 VanDerWaalsContact O-OG 3.04Å |
| 111 | K | 77.8 | Confident | 72.7 | Confident | 87 Ų | 87 | 93.4 Ų | 93.4 | 38% | 0.378 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.9 | -44.1 | 176.8 | -75.7 | 175.1 | -177.4 | 170.5 | 0 | 112.1 | I107 D108 V109 S114 Q115 | I107-K111 HydrophobicContact CG2-CD 4.37Å; I107-K111 WeakPolarHBondContact O-CG 3.3Å; I107-K111 PolarHBondContact O-N 3.18Å; D108-K111 PolarHBondContact O-N 3.41Å; V109-K111 PolarHBondContact O-N 3.07Å; K111-S114 PolarHBondContact O-N 3.09Å; K111-Q115 WeakPolarHBondContact O-CB 3.45Å; K111-Q115 VanDerWaalsContact O-CG 3.31Å; K111-Q115 WeakPolarHBondContact O-CG 3.39Å; K111-Q115 PolarHBondContact O-N 3.07Å |
| 112 | T | 76.1 | Confident | 73.1 | Confident | 43 Ų | 43 | 97.3 Ų | 97.3 | 26% | 0.264 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | -178.2 | -45.6 | 0 | 0 | 0 | 0 | 111.1 | W104 D108 V109 F110 Q115 N116 | W104-T112 HydrophobicContact CH2-CG2 4.18Å; W104-T112 HydrophobicContact CZ3-CG2 3.96Å; D108-T112 WeakPolarHBondContact O-CB 3.45Å; D108-T112 PolarHBondContact O-N 3.44Å; D108-T112 PolarHBondContact O-OG1 3.05Å; V109-T112 PolarHBondContact O-N 3.07Å; F110-T112 VanDerWaalsContact C-N 3.32Å; F110-T112 PolarHBondContact O-N 3.33Å; T112-Q115 PolarHBondContact O-N 3.35Å; T112-N116 WeakPolarHBondContact O-CB 3.44Å; T112-N116 PolarHBondContact O-N 3.48Å; T112-N116 PolarHBondContact O-ND2 3.04Å |
| 113 | V | 76.9 | Confident | 73.4 | Confident | 72 Ų | 72 | 100.8 Ų | 100.8 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | V109 F110 Q115 N116 Q117 | V109-V113 HydrophobicContact CG1-CG2 4.22Å; V109-V113 VanDerWaalsContact O-CG2 3.3Å; V109-V113 WeakPolarHBondContact O-CG2 3.39Å; V109-V113 PolarHBondContact O-N 3.49Å; F110-V113 PolarHBondContact O-N 3.19Å; V113-Q115 PolarHBondContact O-N 2.94Å; V113-N116 PolarHBondContact O-N 3.29Å; V113-Q117 WeakPolarHBondContact O-CG 3.47Å; V113-Q117 PolarHBondContact O-N 3.4Å |
| 114 | S | 80.5 | Confident | 74 | Confident | 39 Ų | 39 | 98.7 Ų | 98.7 | 27% | 0.273 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 176.7 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | F110 K111 Q117 L118 | F110-S114 WeakPolarHBondContact O-CB 3.48Å; F110-S114 PolarHBondContact O-N 2.9Å; F110-S114 PolarHBondContact O-OG 3.31Å; F110-S114 VanDerWaalsContact O-OG 3.04Å; K111-S114 PolarHBondContact O-N 3.09Å; S114-Q117 PolarHBondContact O-N 2.97Å; S114-L118 PolarHBondContact O-N 3.33Å |
| 115 | Q | 79.9 | Confident | 74.1 | Confident | 116 Ų | 116 | 99 Ų | 99 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 176 | -76.3 | 178.7 | -5.2 | 0 | 0 | 112 | K111 T112 V113 L118 Q119 | K111-Q115 WeakPolarHBondContact O-CB 3.45Å; K111-Q115 VanDerWaalsContact O-CG 3.31Å; K111-Q115 WeakPolarHBondContact O-CG 3.39Å; K111-Q115 PolarHBondContact O-N 3.07Å; T112-Q115 PolarHBondContact O-N 3.35Å; V113-Q115 PolarHBondContact O-N 2.94Å; Q115-L118 PolarHBondContact O-N 2.94Å; Q115-Q119 WeakPolarHBondContact O-CG 3.41Å; Q115-Q119 PolarHBondContact O-N 3.39Å |
| 116 | N | 77.1 | Confident | 73.6 | Confident | 92 Ų | 92 | 103.2 Ų | 103.2 | 49% | 0.492 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -39.2 | 175.8 | -72.3 | -16.7 | 0 | 0 | 0 | 111.8 | T112 V113 Q119 A120 | T112-N116 WeakPolarHBondContact O-CB 3.44Å; T112-N116 PolarHBondContact O-N 3.48Å; T112-N116 PolarHBondContact O-ND2 3.04Å; V113-N116 PolarHBondContact O-N 3.29Å; N116-Q119 PolarHBondContact O-N 2.89Å; N116-A120 WeakPolarHBondContact O-CB 3.44Å; N116-A120 PolarHBondContact O-N 3.38Å |
| 117 | Q | 76.7 | Confident | 73.7 | Confident | 124 Ų | 124 | 103 Ų | 103 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63 | -42.8 | 173.4 | -74.3 | -179.3 | 7.2 | 0 | 0 | 112.1 | V113 S114 Q119 A120 Q121 | V113-Q117 WeakPolarHBondContact O-CG 3.47Å; V113-Q117 PolarHBondContact O-N 3.4Å; S114-Q117 PolarHBondContact O-N 2.97Å; Q117-Q119 PolarHBondContact O-N 3.04Å; Q117-A120 PolarHBondContact O-N 3.38Å; Q117-Q121 PolarHBondContact O-N 3.29Å |
| 118 | L | 74.7 | Confident | 73.7 | Confident | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.8 | -39.6 | 175.4 | -78.4 | 163.2 | 0 | 0 | 0 | 112.4 | S114 Q115 K122 | S114-L118 PolarHBondContact O-N 3.33Å; Q115-L118 PolarHBondContact O-N 2.94Å; L118-K122 WeakPolarHBondContact O-CG 3.35Å; L118-K122 PolarHBondContact O-N 3.49Å; L118-K122 VanDerWaalsContact O-N 3.07Å |
| 119 | Q | 77 | Confident | 74 | Confident | 118 Ų | 118 | 106.2 Ų | 106.2 | 55% | 0.551 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.5 | -37.7 | 175.8 | -71.7 | -171.6 | 20.5 | 0 | 0 | 112.4 | Q115 N116 Q117 K122 K123 | Q115-Q119 WeakPolarHBondContact O-CG 3.41Å; Q115-Q119 PolarHBondContact O-N 3.39Å; N116-Q119 PolarHBondContact O-N 2.89Å; Q117-Q119 PolarHBondContact O-N 3.04Å; Q119-K122 PolarHBondContact O-N 3.44Å; Q119-K123 PolarHBondContact O-N 3.34Å |
| 120 | A | 74.5 | Confident | 74.3 | Confident | 61 Ų | 61 | 109 Ų | 109 | 50% | 0.504 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.6 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N116 Q117 K123 S124 | N116-A120 WeakPolarHBondContact O-CB 3.44Å; N116-A120 PolarHBondContact O-N 3.38Å; Q117-A120 PolarHBondContact O-N 3.38Å; A120-K123 PolarHBondContact O-N 3.09Å; A120-S124 PolarHBondContact O-N 3.33Å; A120-S124 VanDerWaalsContact O-N 3.09Å |
| 121 | Q | 73.9 | Confident | 74.2 | Confident | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.621 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.5 | -40 | 174 | -76.4 | -173.1 | -18.1 | 0 | 0 | 112.6 | Q117 K123 S124 N125 | Q117-Q121 PolarHBondContact O-N 3.29Å; Q121-K123 VanDerWaalsContact C-N 3.32Å; Q121-K123 PolarHBondContact O-N 3.33Å; Q121-S124 PolarHBondContact O-N 3.22Å; Q121-N125 PolarHBondContact O-N 2.97Å |
| 122 | K | 76.1 | Confident | 74 | Confident | 173 Ų | 173 | 107.8 Ų | 107.8 | 75% | 0.752 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.4 | -36.3 | 175.6 | -78.5 | -175.1 | 177.6 | -174.9 | 0 | 112.9 | L118 Q119 S124 | L118-K122 WeakPolarHBondContact O-CG 3.35Å; L118-K122 PolarHBondContact O-N 3.49Å; L118-K122 VanDerWaalsContact O-N 3.07Å; Q119-K122 PolarHBondContact O-N 3.44Å; K122-S124 VanDerWaalsContact C-N 3.35Å |
| 123 | K | 74.8 | Confident | 73.9 | Confident | 174 Ų | 174 | 112.4 Ų | 112.4 | 76% | 0.757 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.2 | -19.5 | 176 | -74.7 | -173.4 | 176.8 | -177.3 | 0 | 113.8 | Q119 A120 Q121 | Q119-K123 PolarHBondContact O-N 3.34Å; A120-K123 PolarHBondContact O-N 3.09Å; Q121-K123 VanDerWaalsContact C-N 3.32Å; Q121-K123 PolarHBondContact O-N 3.33Å |
| 124 | S | 73.5 | Confident | 73.6 | Confident | 95 Ų | 95 | 115.5 Ų | 115.5 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -85.7 | -18.4 | 177.3 | -178.6 | 0 | 0 | 0 | 0 | 113.5 | A120 Q121 K122 | A120-S124 PolarHBondContact O-N 3.33Å; A120-S124 VanDerWaalsContact O-N 3.09Å; Q121-S124 PolarHBondContact O-N 3.22Å; K122-S124 VanDerWaalsContact C-N 3.35Å |
| 125 | N | 65 | Low | 73.1 | Confident | 152 Ų | 152 | 121.9 Ų | 121.9 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | trans | -111 | 12.5 | -175.7 | -81 | 7.7 | 0 | 0 | 0 | 113.8 | Q121 | Q121-N125 PolarHBondContact O-N 2.97Š| ||
| 126 | G | 53.5 | Low | 72.4 | Confident | 122 Ų | 122 | 122.5 Ų | 122.5 | 100% | 1.258 | 69% | 0.685 | S | S | * | * | trans | -127.2 | 0 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 126 of 126 residues in 52 ms
(Link to these results)