| 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 | 32.8 | Very low | 51.9 | Low | 235 Ų | 235 | 109.6 Ų | 109.6 | 100% | 1.158 | 64% | 0.637 | S | S | * | * | 0 | 88 | 0 | -73.1 | -63.8 | -163.6 | 0 | 0 | 106.7 | G3 | M1-G3 PolarHBondContact O-N 3.15Š| |||
| 2 | D | 31.7 | Very low | 53.6 | Low | 159 Ų | 159 | 100.8 Ų | 100.8 | 85% | 0.85 | 59% | 0.585 | S | S | * | * | trans | -68.1 | 115 | -179.1 | -62.7 | -67.3 | 0 | 0 | 0 | 109.6 | V4 | D2-V4 PolarHBondContact O-N 3.33Š| ||
| 3 | G | 34.7 | Very low | 55.5 | Low | 74 Ų | 74 | 98 Ų | 98 | 76% | 0.763 | 58% | 0.575 | S | S | * | * | trans | -72.6 | 94.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111 | M1 Q5 | M1-G3 PolarHBondContact O-N 3.15Å; G3-Q5 VanDerWaalsContact C-N 3.3Å; G3-Q5 PolarHBondContact O-N 3.36Å | ||
| 4 | V | 43.9 | Very low | 57.3 | Low | 108 Ų | 108 | 97.8 Ų | 97.8 | 66% | 0.655 | 57% | 0.57 | S | S | * | * | trans | -61 | 96.3 | 164.7 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | D2 Y6 | D2-V4 PolarHBondContact O-N 3.33Å; V4-Y6 HydrophobicContact CG1-CD1 4.43Å; V4-Y6 HydrophobicContact CG1-CE1 4.14Å; V4-Y6 PolarHBondContact O-N 2.65Å | ||
| 5 | Q | 48 | Very low | 59.1 | Low | 157 Ų | 157 | 91.6 Ų | 91.6 | 73% | 0.734 | 53% | 0.534 | S | S | * | . | trans | -75.2 | 92.6 | -176.1 | -172 | 163.2 | 14.3 | 0 | 0 | 109.4 | G3 | G3-Q5 VanDerWaalsContact C-N 3.3Å; G3-Q5 PolarHBondContact O-N 3.36Å | ||
| 6 | Y | 52.9 | Low | 60.8 | Low | 140 Ų | 140 | 90.8 Ų | 90.8 | 55% | 0.549 | 52% | 0.522 | S | S | . | . | trans | -56.8 | 142.4 | 178.2 | -64.6 | -68.6 | 0 | 0 | 0 | 111.4 | V4 L10 | V4-Y6 HydrophobicContact CG1-CD1 4.43Å; V4-Y6 HydrophobicContact CG1-CE1 4.14Å; V4-Y6 PolarHBondContact O-N 2.65Å; Y6-L10 HydrophobicContact CD1-CD2 3.68Å; Y6-L10 HydrophobicContact CE1-CD2 4.39Å; Y6-L10 HydrophobicContact CG-CD2 4.24Å | ||
| 7 | P | 62.8 | Low | 62.5 | Low | 90 Ų | 90 | 88.6 Ų | 88.6 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | trans | -56.2 | 140.8 | 173.2 | -24 | 33.8 | 0 | 0 | 0 | 111 | A9 L10 V11 | P7-A9 PolarHBondContact O-N 2.95Å; P7-A9 VanDerWaalsContact O-N 3.09Å; P7-L10 WeakPolarHBondContact O-CB 3.47Å; P7-L10 PolarHBondContact O-N 3Å; P7-V11 PolarHBondContact O-N 2.98Å | ||
| 8 | A | 64.3 | Low | 64.2 | Low | 58 Ų | 58 | 85.8 Ų | 85.8 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -53.3 | -36.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L10 V11 N12 | A8-L10 VanDerWaalsContact C-N 3.3Å; A8-L10 PolarHBondContact O-N 3.46Å; A8-V11 PolarHBondContact O-N 3.31Å; A8-N12 WeakPolarHBondContact O-CB 3.34Å; A8-N12 PolarHBondContact O-N 3.38Å |
| 9 | A | 66.5 | Low | 65.8 | Low | 80 Ų | 80 | 82.8 Ų | 82.8 | 66% | 0.661 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.6 | -35.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | P7 S13 | P7-A9 PolarHBondContact O-N 2.95Å; P7-A9 VanDerWaalsContact O-N 3.09Å; A9-S13 VanDerWaalsContact O-CB 3.27Å; A9-S13 WeakPolarHBondContact O-CB 3.4Å; A9-S13 PolarHBondContact O-N 3.29Å |
| 10 | L | 64.3 | Low | 67.2 | Low | 76 Ų | 76 | 86.6 Ų | 86.6 | 40% | 0.398 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.5 | -41.3 | 176.7 | -177.8 | 60.7 | 0 | 0 | 0 | 111.1 | Y6 P7 A8 S13 L14 | Y6-L10 HydrophobicContact CD1-CD2 3.68Å; Y6-L10 HydrophobicContact CE1-CD2 4.39Å; Y6-L10 HydrophobicContact CG-CD2 4.24Å; P7-L10 WeakPolarHBondContact O-CB 3.47Å; P7-L10 PolarHBondContact O-N 3Å; A8-L10 VanDerWaalsContact C-N 3.3Å; A8-L10 PolarHBondContact O-N 3.46Å; L10-S13 PolarHBondContact O-N 2.91Å; L10-L14 HydrophobicContact CD1-CG 4.44Å; L10-L14 HydrophobicContact CG-CD1 4.27Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 3.08Å |
| 11 | V | 68.7 | Low | 68.4 | Low | 29 Ų | 29 | 87.7 Ų | 87.7 | 18% | 0.176 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 174.6 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | P7 A8 S13 L14 A15 | P7-V11 PolarHBondContact O-N 2.98Å; A8-V11 PolarHBondContact O-N 3.31Å; V11-S13 VanDerWaalsContact C-N 3.33Å; V11-S13 PolarHBondContact O-N 3.37Å; V11-L14 PolarHBondContact O-N 3.34Å; V11-A15 VanDerWaalsContact O-CB 3.31Å; V11-A15 WeakPolarHBondContact O-CB 3.12Å; V11-A15 PolarHBondContact O-N 3.34Å |
| 12 | N | 73.2 | Confident | 71.4 | Confident | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.016 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 176.1 | -78.6 | 20.3 | 0 | 0 | 0 | 112.5 | A8 K16 D124 D127 | A8-N12 WeakPolarHBondContact O-CB 3.34Å; A8-N12 PolarHBondContact O-N 3.38Å; N12-K16 WeakPolarHBondContact O-CB 3.2Å; N12-K16 WeakPolarHBondContact O-CD 3.25Å; N12-K16 WeakPolarHBondContact O-CG 3.24Å; N12-K16 PolarHBondContact O-N 2.9Å; N12-D124 PolarHBondContact ND2-OD2 3.28Å; N12-D127 PolarHBondContact ND2-O 3.14Å; N12-D127 PolarHBondContact ND2-OD1 3.36Å |
| 13 | S | 77.8 | Confident | 74.4 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 175.4 | -172 | 0 | 0 | 0 | 0 | 112.3 | A9 L10 V11 K16 S17 | A9-S13 VanDerWaalsContact O-CB 3.27Å; A9-S13 WeakPolarHBondContact O-CB 3.4Å; A9-S13 PolarHBondContact O-N 3.29Å; L10-S13 PolarHBondContact O-N 2.91Å; V11-S13 VanDerWaalsContact C-N 3.33Å; V11-S13 PolarHBondContact O-N 3.37Å; S13-K16 PolarHBondContact O-N 3.34Å; S13-S17 PolarHBondContact O-N 2.85Å |
| 14 | L | 81.1 | Confident | 77.4 | Confident | 95 Ų | 95 | 68.9 Ų | 68.9 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 175.7 | -70.6 | 169.8 | 0 | 0 | 0 | 111.1 | L10 V11 K16 S17 D18 | L10-L14 HydrophobicContact CD1-CG 4.44Å; L10-L14 HydrophobicContact CG-CD1 4.27Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 3.08Å; V11-L14 PolarHBondContact O-N 3.34Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 2.86Å; L14-S17 WeakPolarHBondContact O-CA 3.4Å; L14-S17 VanDerWaalsContact O-CB 3.3Å; L14-S17 WeakPolarHBondContact O-CB 3.38Å; L14-S17 PolarHBondContact O-N 2.86Å; L14-D18 PolarHBondContact O-N 3.37Å |
| 15 | A | 84.4 | Confident | 79.8 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.5 | -44.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V11 S17 D18 F19 S117 V120 | V11-A15 VanDerWaalsContact O-CB 3.31Å; V11-A15 WeakPolarHBondContact O-CB 3.12Å; V11-A15 PolarHBondContact O-N 3.34Å; A15-S17 PolarHBondContact O-N 2.81Å; A15-D18 PolarHBondContact O-N 2.98Å; A15-F19 WeakPolarHBondContact O-CB 3.43Å; A15-F19 PolarHBondContact O-N 3.49Å; A15-S117 WeakPolarHBondContact O-CB 3.41Å; A15-V120 HydrophobicContact CB-CB 4.11Å; A15-V120 HydrophobicContact CB-CG1 4.08Å; A15-V120 HydrophobicContact CB-CG2 3.9Å |
| 16 | K | 86 | Confident | 82.2 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.1 | -23.6 | 175.3 | -72.3 | 167.1 | -168.3 | 174.4 | 0 | 113.5 | N12 S13 L14 R20 D127 | N12-K16 WeakPolarHBondContact O-CB 3.2Å; N12-K16 WeakPolarHBondContact O-CD 3.25Å; N12-K16 WeakPolarHBondContact O-CG 3.24Å; N12-K16 PolarHBondContact O-N 2.9Å; S13-K16 PolarHBondContact O-N 3.34Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 2.86Å; K16-R20 WeakPolarHBondContact O-CG 3.45Å; K16-R20 PolarHBondContact O-N 3.27Å; K16-R20 PolarHBondContact O-NE 3.12Å; K16-D127 WeakPolarHBondContact CE-OD1 3.42Å; K16-D127 IonicContact NZ-OD1 3.68Å; K16-D127 PolarHBondContact NZ-OD1 3.35Å; K16-D127 IonicContact NZ-OD2 3.4Å; K16-D127 PolarHBondContact NZ-OD2 2.75Å |
| 17 | S | 89.6 | Confident | 84.2 | Confident | 54 Ų | 54 | 59 Ų | 59 | 38% | 0.378 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -76.9 | -50.8 | 173.6 | -166.6 | 0 | 0 | 0 | 0 | 111 | S13 L14 A15 F19 R20 M21 | S13-S17 PolarHBondContact O-N 2.85Å; L14-S17 WeakPolarHBondContact O-CA 3.4Å; L14-S17 VanDerWaalsContact O-CB 3.3Å; L14-S17 WeakPolarHBondContact O-CB 3.38Å; L14-S17 PolarHBondContact O-N 2.86Å; A15-S17 PolarHBondContact O-N 2.81Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 PolarHBondContact O-N 3.18Å; S17-R20 WeakPolarHBondContact O-CB 3.3Å; S17-R20 PolarHBondContact O-N 3Å; S17-M21 PolarHBondContact O-N 3.41Å |
| 18 | D | 92.4 | Very high | 85.8 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 20% | 0.203 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -38.3 | 178.1 | -73 | -8.7 | 0 | 0 | 0 | 111.4 | L14 A15 M21 L22 | L14-D18 PolarHBondContact O-N 3.37Å; A15-D18 PolarHBondContact O-N 2.98Å; D18-M21 PolarHBondContact O-N 3.03Å; D18-L22 PolarHBondContact O-N 3.03Å |
| 19 | F | 94.4 | Very high | 87.3 | Confident | 28 Ų | 28 | 62 Ų | 62 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 173.6 | -178.3 | -107.9 | 0 | 0 | 0 | 112.6 | A15 S17 M21 L22 V23 F118 A121 V184 | A15-F19 WeakPolarHBondContact O-CB 3.43Å; A15-F19 PolarHBondContact O-N 3.49Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-F19 PolarHBondContact O-N 3.18Å; F19-M21 VanDerWaalsContact C-N 3.33Å; F19-M21 PolarHBondContact O-N 2.95Å; F19-L22 HydrophobicContact CD2-CD2 4.45Å; F19-L22 PolarHBondContact O-N 3.44Å; F19-V23 HydrophobicContact CD1-CG2 4.22Å; F19-V23 HydrophobicContact CD2-CG2 4.46Å; F19-V23 HydrophobicContact CE1-CG2 3.73Å; F19-V23 HydrophobicContact CE2-CG2 3.99Å; F19-V23 HydrophobicContact CZ-CG2 3.59Å; F19-V23 WeakPolarHBondContact O-CG2 3.41Å; F19-V23 PolarHBondContact O-N 3.49Å; F19-F118 HydrophobicContact CE2-CD2 4.03Å; F19-A121 HydrophobicContact CB-CB 4.44Å; F19-A121 HydrophobicContact CD1-CB 3.66Å; F19-A121 HydrophobicContact CD2-CB 3.66Å; F19-A121 HydrophobicContact CE1-CB 3.72Å; F19-A121 HydrophobicContact CE2-CB 3.73Å; F19-A121 HydrophobicContact CG-CB 3.63Å; F19-A121 HydrophobicContact CZ-CB 3.77Å; F19-V184 HydrophobicContact CE1-CG2 4.42Å; F19-V184 HydrophobicContact CE2-CG2 3.72Å; F19-V184 HydrophobicContact CZ-CG2 3.49Å; F19-V184 VanDerWaalsContact CZ-CG2 3.49Å |
| 20 | R | 93.7 | Very high | 88.7 | Confident | 158 Ų | 158 | 62.3 Ų | 62.3 | 60% | 0.596 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 174.6 | -87.4 | 177.1 | -87.6 | 161.1 | -9.5 | 111.8 | K16 S17 V23 S24 | K16-R20 WeakPolarHBondContact O-CG 3.45Å; K16-R20 PolarHBondContact O-N 3.27Å; K16-R20 PolarHBondContact O-NE 3.12Å; S17-R20 WeakPolarHBondContact O-CB 3.3Å; S17-R20 PolarHBondContact O-N 3Å; R20-V23 PolarHBondContact O-N 3.28Å; R20-S24 PolarHBondContact O-N 3.24Å |
| 21 | M | 94.1 | Very high | 90.3 | Very high | 110 Ų | 110 | 60.3 Ų | 60.3 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 173.5 | -67.3 | -57.9 | -61.4 | 0 | 0 | 111.6 | S17 D18 F19 V23 S24 E25 | S17-M21 PolarHBondContact O-N 3.41Å; D18-M21 PolarHBondContact O-N 3.03Å; F19-M21 VanDerWaalsContact C-N 3.33Å; F19-M21 PolarHBondContact O-N 2.95Å; M21-V23 VanDerWaalsContact C-N 3.26Å; M21-V23 PolarHBondContact O-N 2.97Å; M21-S24 WeakPolarHBondContact O-CB 3.42Å; M21-S24 PolarHBondContact O-N 3.46Å; M21-E25 PolarHBondContact O-N 3.5Å |
| 22 | L | 95.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.7 | -39.9 | 175.8 | 179.8 | 65.7 | 0 | 0 | 0 | 112.4 | D18 F19 M26 F47 V48 K51 F118 | D18-L22 PolarHBondContact O-N 3.03Å; F19-L22 HydrophobicContact CD2-CD2 4.45Å; F19-L22 PolarHBondContact O-N 3.44Å; L22-M26 WeakPolarHBondContact O-CB 3.4Å; L22-M26 PolarHBondContact O-N 3.16Å; L22-F47 HydrophobicContact CD1-CE1 3.9Å; L22-V48 HydrophobicContact CD2-CG2 4.39Å; L22-K51 HydrophobicContact CD1-CB 3.9Å; L22-K51 HydrophobicContact CD1-CG 4.13Å; L22-F118 HydrophobicContact CD2-CB 4.35Å; L22-F118 HydrophobicContact CD2-CD2 4.28Å |
| 23 | V | 95.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 65.5 Ų | 65.5 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.1 | -36 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 112.3 | F19 R20 M21 M26 R27 F186 | F19-V23 HydrophobicContact CD1-CG2 4.22Å; F19-V23 HydrophobicContact CD2-CG2 4.46Å; F19-V23 HydrophobicContact CE1-CG2 3.73Å; F19-V23 HydrophobicContact CE2-CG2 3.99Å; F19-V23 HydrophobicContact CZ-CG2 3.59Å; F19-V23 WeakPolarHBondContact O-CG2 3.41Å; F19-V23 PolarHBondContact O-N 3.49Å; R20-V23 PolarHBondContact O-N 3.28Å; M21-V23 VanDerWaalsContact C-N 3.26Å; M21-V23 PolarHBondContact O-N 2.97Å; V23-M26 HydrophobicContact CG2-CE 4.44Å; V23-M26 PolarHBondContact O-N 3.45Å; V23-R27 WeakPolarHBondContact O-CG 3.33Å; V23-R27 PolarHBondContact O-N 2.86Å; V23-F186 HydrophobicContact CB-CE2 4.49Å; V23-F186 HydrophobicContact CG1-CE2 3.71Å; V23-F186 HydrophobicContact CG1-CZ 4.27Å; V23-F186 HydrophobicContact CG2-CE2 3.86Å; V23-F186 HydrophobicContact CG2-CZ 4.35Å |
| 24 | S | 95.9 | Very high | 93.6 | Very high | 53 Ų | 53 | 62.7 Ų | 62.7 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62 | -53.9 | 174.7 | -166.2 | 0 | 0 | 0 | 0 | 111.1 | R20 M21 M26 R27 E28 | R20-S24 PolarHBondContact O-N 3.24Å; M21-S24 WeakPolarHBondContact O-CB 3.42Å; M21-S24 PolarHBondContact O-N 3.46Å; S24-M26 PolarHBondContact O-N 3.46Å; S24-R27 WeakPolarHBondContact O-CB 3.47Å; S24-R27 PolarHBondContact O-N 3.26Å; S24-E28 PolarHBondContact O-N 3.06Å; S24-E28 VanDerWaalsContact O-N 3.17Å |
| 25 | E | 96.4 | Very high | 94.3 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.6 | -34.4 | 178.3 | -62 | 178.2 | -162.7 | 0 | 0 | 112.2 | M21 E28 Q29 F47 K51 | M21-E25 PolarHBondContact O-N 3.5Å; E25-E28 PolarHBondContact O-N 3.15Å; E25-Q29 PolarHBondContact O-NE2 3.01Å; E25-F47 HydrophobicContact CB-CE1 4.46Å; E25-F47 HydrophobicContact CB-CZ 3.79Å; E25-K51 WeakPolarHBondContact OE2-CE 3.48Å; E25-K51 IonicContact OE2-NZ 3.4Å; E25-K51 PolarHBondContact OE2-NZ 3.35Å |
| 26 | M | 97.2 | Very high | 94.8 | Very high | 9 Ų | 9 | 65.5 Ų | 65.5 | 4% | 0.044 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 175.2 | -173.1 | 175.2 | 61.4 | 0 | 0 | 112.5 | L22 V23 S24 Q29 F31 K44 F47 V185 | L22-M26 WeakPolarHBondContact O-CB 3.4Å; L22-M26 PolarHBondContact O-N 3.16Å; V23-M26 HydrophobicContact CG2-CE 4.44Å; V23-M26 PolarHBondContact O-N 3.45Å; S24-M26 PolarHBondContact O-N 3.46Å; M26-Q29 WeakPolarHBondContact O-CB 3.4Å; M26-Q29 PolarHBondContact O-N 3.43Å; M26-F31 HydrophobicContact CG-CD2 4.03Å; M26-F31 HydrophobicContact CG-CE2 4.3Å; M26-K44 HydrophobicContact CE-CD 4.48Å; M26-K44 HydrophobicContact CG-CG 4.3Å; M26-K44 HydrophobicContact SD-CB 3.7Å; M26-K44 HydrophobicContact SD-CD 4.25Å; M26-K44 HydrophobicContact SD-CG 3.74Å; M26-F47 HydrophobicContact CB-CD1 3.76Å; M26-F47 HydrophobicContact CB-CE1 3.57Å; M26-F47 HydrophobicContact CB-CZ 4.29Å; M26-F47 HydrophobicContact CG-CD1 3.83Å; M26-F47 HydrophobicContact CG-CE1 4.18Å; M26-F47 HydrophobicContact CG-CG 4.42Å; M26-F47 HydrophobicContact SD-CD1 4.38Å; M26-V185 HydrophobicContact CE-CB 4.3Å; M26-V185 HydrophobicContact CE-CG1 4.49Å; M26-V185 HydrophobicContact SD-CB 4.42Å; M26-V185 HydrophobicContact SD-CG1 4.31Å |
| 27 | R | 95 | Very high | 95.2 | Very high | 132 Ų | 132 | 62.6 Ų | 62.6 | 50% | 0.498 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.9 | -37.1 | 176.2 | -74.2 | 175.1 | -177.3 | -74.6 | 2.4 | 111.7 | V23 S24 Q29 N30 D32 | V23-R27 WeakPolarHBondContact O-CG 3.33Å; V23-R27 PolarHBondContact O-N 2.86Å; S24-R27 WeakPolarHBondContact O-CB 3.47Å; S24-R27 PolarHBondContact O-N 3.26Å; R27-Q29 PolarHBondContact O-N 3.08Å; R27-N30 WeakPolarHBondContact O-CA 3.41Å; R27-N30 PolarHBondContact O-N 3.07Å; R27-D32 IonicContact NH1-OD2 2.85Å |
| 28 | E | 97 | Very high | 95.6 | Very high | 122 Ų | 122 | 61.4 Ų | 61.4 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.6 | -27.7 | 176.1 | -67.7 | 160.2 | -154.2 | 0 | 0 | 112.7 | S24 E25 N30 | S24-E28 PolarHBondContact O-N 3.06Å; S24-E28 VanDerWaalsContact O-N 3.17Å; E25-E28 PolarHBondContact O-N 3.15Å; E28-N30 PolarHBondContact O-N 2.75Å; E28-N30 VanDerWaalsContact O-N 3.16Å; E28-N30 PolarHBondContact O-ND2 3.27Å |
| 29 | Q | 96.1 | Very high | 95.8 | Very high | 89 Ų | 89 | 61.2 Ų | 61.2 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -8 | 172.8 | -52.6 | -51.5 | -60.3 | 0 | 0 | 113.8 | E25 M26 R27 F31 F47 | E25-Q29 PolarHBondContact O-NE2 3.01Å; M26-Q29 WeakPolarHBondContact O-CB 3.4Å; M26-Q29 PolarHBondContact O-N 3.43Å; R27-Q29 PolarHBondContact O-N 3.08Å; Q29-F31 HydrophobicContact CB-CD1 4.16Å; Q29-F31 HydrophobicContact CB-CD2 3.7Å; Q29-F31 HydrophobicContact CB-CE1 3.84Å; Q29-F31 HydrophobicContact CB-CE2 3.35Å; Q29-F31 HydrophobicContact CB-CG 4.1Å; Q29-F31 HydrophobicContact CB-CZ 3.43Å; Q29-F31 VanDerWaalsContact CB-CZ 3.43Å; Q29-F31 HydrophobicContact CG-CD2 4.39Å; Q29-F31 HydrophobicContact CG-CE2 3.65Å; Q29-F31 HydrophobicContact CG-CZ 3.8Å; Q29-F31 PolarHBondContact O-N 3.26Å; Q29-F47 HydrophobicContact CG-CD2 3.72Å; Q29-F47 HydrophobicContact CG-CE2 3.64Å; Q29-F47 HydrophobicContact CG-CZ 4.46Å |
| 30 | N | 95.4 | Very high | 95.9 | Very high | 88 Ų | 88 | 62 Ų | 62 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 29.3 | 178.2 | -73.1 | -89.7 | 0 | 0 | 0 | 114.1 | R27 E28 D32 T33 | R27-N30 WeakPolarHBondContact O-CA 3.41Å; R27-N30 PolarHBondContact O-N 3.07Å; E28-N30 PolarHBondContact O-N 2.75Å; E28-N30 VanDerWaalsContact O-N 3.16Å; E28-N30 PolarHBondContact O-ND2 3.27Å; N30-D32 PolarHBondContact O-N 2.85Å; N30-T33 HydrophobicContact CB-CG2 4.34Å; N30-T33 PolarHBondContact O-N 3.4Å; N30-T33 PolarHBondContact O-OG1 2.84Å |
| 31 | F | 97 | Very high | 96.2 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -60.9 | -29.8 | 178.7 | -62.2 | -46.9 | 0 | 0 | 0 | 112.8 | M26 Q29 T33 I34 R40 C43 K44 F47 | M26-F31 HydrophobicContact CG-CD2 4.03Å; M26-F31 HydrophobicContact CG-CE2 4.3Å; Q29-F31 HydrophobicContact CB-CD1 4.16Å; Q29-F31 HydrophobicContact CB-CD2 3.7Å; Q29-F31 HydrophobicContact CB-CE1 3.84Å; Q29-F31 HydrophobicContact CB-CE2 3.35Å; Q29-F31 HydrophobicContact CB-CG 4.1Å; Q29-F31 HydrophobicContact CB-CZ 3.43Å; Q29-F31 VanDerWaalsContact CB-CZ 3.43Å; Q29-F31 HydrophobicContact CG-CD2 4.39Å; Q29-F31 HydrophobicContact CG-CE2 3.65Å; Q29-F31 HydrophobicContact CG-CZ 3.8Å; Q29-F31 PolarHBondContact O-N 3.26Å; F31-T33 PolarHBondContact O-N 2.86Å; F31-I34 HydrophobicContact CB-CD1 4.46Å; F31-I34 HydrophobicContact CD1-CD1 4.21Å; F31-I34 VanDerWaalsContact O-CB 3.28Å; F31-I34 WeakPolarHBondContact O-CB 3.28Å; F31-I34 WeakPolarHBondContact O-CG1 3.41Å; F31-I34 PolarHBondContact O-N 3.22Å; F31-R40 WeakPolarHBondContact O-CD 3.32Å; F31-R40 WeakPolarHBondContact O-CG 3.48Å; F31-C43 HydrophobicContact CD1-CB 3.62Å; F31-C43 HydrophobicContact CE1-CB 3.79Å; F31-C43 HydrophobicContact CG-CB 4.03Å; F31-C43 HydrophobicContact CZ-CB 4.32Å; F31-K44 HydrophobicContact CB-CG 4.05Å; F31-K44 HydrophobicContact CD2-CG 3.95Å; F31-K44 HydrophobicContact CG-CG 4.35Å; F31-F47 HydrophobicContact CE2-CB 3.65Å; F31-F47 HydrophobicContact CE2-CD2 4.14Å; F31-F47 AromaticContact CE2-CG 3.98Å; F31-F47 HydrophobicContact CE2-CG 3.98Å; F31-F47 HydrophobicContact CZ-CB 4.1Å; F31-F47 HydrophobicContact CZ-CD2 4.46Å |
| 32 | D | 95.6 | Very high | 96.3 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -58.5 | -20.5 | 178 | -67.7 | -33.6 | 0 | 0 | 0 | 113.7 | R27 N30 I34 K44 | R27-D32 IonicContact NH1-OD2 2.85Å; N30-D32 PolarHBondContact O-N 2.85Å; D32-I34 VanDerWaalsContact C-N 3.27Å; D32-I34 PolarHBondContact O-N 2.81Å; D32-K44 WeakPolarHBondContact OD1-CE 3.4Å; D32-K44 IonicContact OD1-NZ 2.8Å; D32-K44 PolarHBondContact OD1-NZ 3.06Å |
| 33 | T | 96.4 | Very high | 96.5 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 39% | 0.393 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -76.4 | -6.8 | 174.1 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | N30 F31 R35 R277 | N30-T33 HydrophobicContact CB-CG2 4.34Å; N30-T33 PolarHBondContact O-N 3.4Å; N30-T33 PolarHBondContact O-OG1 2.84Å; F31-T33 PolarHBondContact O-N 2.86Å; T33-R35 PolarHBondContact O-N 3.01Å; T33-R277 PolarHBondContact OG1-NE 3.17Å; T33-R277 PolarHBondContact OG1-NH1 3.22Å |
| 34 | I | 97.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | trans | -75 | 118.4 | 176.3 | -65.9 | 169.4 | 0 | 0 | 0 | 108.8 | F31 D32 F36 R40 C43 W276 | F31-I34 HydrophobicContact CB-CD1 4.46Å; F31-I34 HydrophobicContact CD1-CD1 4.21Å; F31-I34 VanDerWaalsContact O-CB 3.28Å; F31-I34 WeakPolarHBondContact O-CB 3.28Å; F31-I34 WeakPolarHBondContact O-CG1 3.41Å; F31-I34 PolarHBondContact O-N 3.22Å; D32-I34 VanDerWaalsContact C-N 3.27Å; D32-I34 PolarHBondContact O-N 2.81Å; I34-F36 VanDerWaalsContact C-N 3.26Å; I34-F36 WeakPolarHBondContact CG2-O 3.48Å; I34-F36 PolarHBondContact O-N 3.1Å; I34-R40 HydrophobicContact CB-CB 3.97Å; I34-R40 HydrophobicContact CB-CG 4.34Å; I34-R40 HydrophobicContact CG2-CB 3.96Å; I34-R40 PolarHBondContact O-NH1 3.09Å; I34-C43 HydrophobicContact CD1-CB 4.2Å; I34-W276 HydrophobicContact CD1-CE3 4.02Å; I34-W276 HydrophobicContact CG1-CB 4.25Å; I34-W276 HydrophobicContact CG2-CB 3.99Å | ||
| 35 | R | 95.5 | Very high | 96.7 | Very high | 100 Ų | 100 | 46.4 Ų | 46.4 | 38% | 0.377 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -66.9 | -26 | -174.6 | 76.6 | -163.5 | 173 | 111.4 | -13.1 | 113.8 | T33 F275 W276 N286 | T33-R35 PolarHBondContact O-N 3.01Å; R35-F275 PolarHBondContact NE-O 2.85Å; R35-F275 PolarHBondContact NH2-O 3.09Å; R35-W276 WeakPolarHBondContact CG-O 3.39Å; R35-W276 PolarHBondContact N-O 2.63Å; R35-N286 PolarHBondContact NH2-OD1 2.77Å |
| 36 | F | 94.7 | Very high | 96.8 | Very high | 60 Ų | 60 | 45.2 Ų | 45.2 | 26% | 0.263 | 21% | 0.211 | S | C | . | . | trans | -97.8 | 113.5 | -177.6 | -59.6 | -65.8 | 0 | 0 | 0 | 111.1 | I34 T38 Y39 R40 F275 | I34-F36 VanDerWaalsContact C-N 3.26Å; I34-F36 WeakPolarHBondContact CG2-O 3.48Å; I34-F36 PolarHBondContact O-N 3.1Å; F36-T38 VanDerWaalsContact C-N 3.26Å; F36-T38 PolarHBondContact O-N 3.17Å; F36-Y39 HydrophobicContact CB-CD2 3.57Å; F36-Y39 HydrophobicContact CB-CE2 4.37Å; F36-Y39 HydrophobicContact CB-CG 4.42Å; F36-Y39 AromaticContact CD2-CD2 4Å; F36-Y39 HydrophobicContact CD2-CD2 4Å; F36-Y39 HydrophobicContact CD2-CE2 4.28Å; F36-Y39 HydrophobicContact CG-CD2 4.05Å; F36-Y39 HydrophobicContact CG-CE2 4.45Å; F36-Y39 PolarHBondContact O-N 2.88Å; F36-Y39 VanDerWaalsContact O-N 3.16Å; F36-R40 WeakPolarHBondContact O-CB 3.21Å; F36-R40 PolarHBondContact O-N 3.04Å; F36-F275 HydrophobicContact CD2-CE1 4.3Å; F36-F275 AromaticContact CE2-CD1 3.97Å; F36-F275 HydrophobicContact CE2-CD1 3.97Å; F36-F275 AromaticContact CE2-CE1 3.47Å; F36-F275 HydrophobicContact CE2-CE1 3.47Å; F36-F275 VanDerWaalsContact CE2-CE1 3.47Å; F36-F275 HydrophobicContact CE2-CE2 4.16Å; F36-F275 AromaticContact CE2-CZ 3.59Å; F36-F275 HydrophobicContact CE2-CZ 3.59Å; F36-F275 HydrophobicContact CZ-CE1 4.01Å; F36-F275 HydrophobicContact CZ-CE2 4.17Å; F36-F275 AromaticContact CZ-CZ 3.65Å; F36-F275 HydrophobicContact CZ-CZ 3.65Å | ||
| 37 | A | 95.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -53.9 | -40.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y39 R40 T41 T190 F191 | A37-Y39 PolarHBondContact O-N 3.24Å; A37-R40 PolarHBondContact O-N 3.3Å; A37-T41 VanDerWaalsContact O-CB 3.3Å; A37-T41 WeakPolarHBondContact O-CB 3.45Å; A37-T41 PolarHBondContact O-N 3.09Å; A37-T41 PolarHBondContact O-OG1 2.9Å; A37-T190 HydrophobicContact CB-CG2 3.68Å; A37-F191 HydrophobicContact CB-CE2 3.8Å; A37-F191 HydrophobicContact CB-CZ 4.2Å |
| 38 | T | 96.4 | Very high | 97 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 18% | 0.184 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 179.3 | -34.7 | 0 | 0 | 0 | 0 | 112.2 | F36 A42 F191 M227 W228 L231 | F36-T38 VanDerWaalsContact C-N 3.26Å; F36-T38 PolarHBondContact O-N 3.17Å; T38-A42 WeakPolarHBondContact O-CB 3.32Å; T38-A42 PolarHBondContact O-N 3.37Å; T38-A42 VanDerWaalsContact O-N 3.08Å; T38-F191 HydrophobicContact CG2-CZ 4.37Å; T38-M227 VanDerWaalsContact CG2-C 3.43Å; T38-M227 HydrophobicContact CG2-CB 3.65Å; T38-M227 WeakPolarHBondContact CG2-O 3.31Å; T38-W228 HydrophobicContact CG2-CB 4.22Å; T38-L231 HydrophobicContact CG2-CB 4.45Å; T38-L231 HydrophobicContact CG2-CD2 3.67Å |
| 39 | Y | 97 | Very high | 97.1 | Very high | 34 Ų | 34 | 34.1 Ų | 34.1 | 13% | 0.133 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.1 | -40.6 | 177.7 | -69.1 | -89.8 | 0 | 0 | 0 | 111.6 | F36 A37 T41 A42 C43 L231 Y260 W276 E292 | F36-Y39 HydrophobicContact CB-CD2 3.57Å; F36-Y39 HydrophobicContact CB-CE2 4.37Å; F36-Y39 HydrophobicContact CB-CG 4.42Å; F36-Y39 AromaticContact CD2-CD2 4Å; F36-Y39 HydrophobicContact CD2-CD2 4Å; F36-Y39 HydrophobicContact CD2-CE2 4.28Å; F36-Y39 HydrophobicContact CG-CD2 4.05Å; F36-Y39 HydrophobicContact CG-CE2 4.45Å; F36-Y39 PolarHBondContact O-N 2.88Å; F36-Y39 VanDerWaalsContact O-N 3.16Å; A37-Y39 PolarHBondContact O-N 3.24Å; Y39-T41 PolarHBondContact O-N 3.24Å; Y39-A42 PolarHBondContact O-N 3.24Å; Y39-C43 WeakPolarHBondContact O-CB 3.38Å; Y39-C43 PolarHBondContact O-N 3.15Å; Y39-C43 PolarHBondContact O-SG 2.98Å; Y39-L231 HydrophobicContact CD1-CD1 4.03Å; Y39-L231 HydrophobicContact CD1-CD2 3.63Å; Y39-L231 HydrophobicContact CD1-CG 4.28Å; Y39-L231 HydrophobicContact CD2-CD2 4Å; Y39-L231 HydrophobicContact CE1-CD1 3.63Å; Y39-L231 HydrophobicContact CE1-CD2 3.86Å; Y39-L231 HydrophobicContact CE1-CG 4.32Å; Y39-L231 HydrophobicContact CE2-CD2 4.23Å; Y39-L231 HydrophobicContact CG-CD2 3.72Å; Y39-Y260 WeakPolarHBondContact CE1-OH 3.5Å; Y39-Y260 PolarHBondContact OH-OH 2.98Å; Y39-W276 AromaticContact CD1-CD1 3.83Å; Y39-W276 HydrophobicContact CD1-CD2 4.22Å; Y39-W276 AromaticContact CD1-CE2 3.3Å; Y39-W276 AromaticContact CD1-CZ2 3.5Å; Y39-W276 HydrophobicContact CD1-CZ2 3.5Å; Y39-W276 VanDerWaalsContact CD1-CZ2 3.5Å; Y39-W276 AromaticContact CD1-NE1 3.07Å; Y39-W276 AromaticContact CE1-CE2 3.84Å; Y39-W276 HydrophobicContact CE1-CZ2 4.03Å; Y39-W276 AromaticContact CE1-NE1 3.26Å; Y39-W276 VanDerWaalsContact CE1-NE1 3.26Å; Y39-W276 AromaticContact CG-CD1 3.94Å; Y39-W276 AromaticContact CG-CE2 3.98Å; Y39-W276 HydrophobicContact CG-CG 4.49Å; Y39-W276 HydrophobicContact CG-CZ2 4.47Å; Y39-W276 AromaticContact CG-NE1 3.65Å; Y39-W276 AromaticContact CZ-NE1 3.97Å; Y39-E292 PolarHBondContact OH-OE2 3.08Å |
| 40 | R | 98 | Very high | 97.1 | Very high | 44 Ų | 44 | 33.2 Ų | 33.2 | 17% | 0.166 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 177.3 | -172.7 | 172.6 | 59 | -121.3 | 2.4 | 111.7 | F31 I34 F36 A37 C43 K44 E187 | F31-R40 WeakPolarHBondContact O-CD 3.32Å; F31-R40 WeakPolarHBondContact O-CG 3.48Å; I34-R40 HydrophobicContact CB-CB 3.97Å; I34-R40 HydrophobicContact CB-CG 4.34Å; I34-R40 HydrophobicContact CG2-CB 3.96Å; I34-R40 PolarHBondContact O-NH1 3.09Å; F36-R40 WeakPolarHBondContact O-CB 3.21Å; F36-R40 PolarHBondContact O-N 3.04Å; A37-R40 PolarHBondContact O-N 3.3Å; R40-C43 PolarHBondContact O-N 2.95Å; R40-K44 HydrophobicContact CG-CD 4.44Å; R40-K44 WeakPolarHBondContact O-CG 3.13Å; R40-K44 PolarHBondContact O-N 2.79Å; R40-E187 VanDerWaalsContact CD-OE1 3.24Å; R40-E187 WeakPolarHBondContact CD-OE1 3.48Å; R40-E187 VanDerWaalsContact CG-OE1 3.29Å; R40-E187 WeakPolarHBondContact CG-OE1 3.46Å; R40-E187 IonicContact CZ-OE1 2.74Å; R40-E187 IonicContact CZ-OE2 2.7Å; R40-E187 VanDerWaalsContact CZ-OE2 3.27Å; R40-E187 IonicContact NE-OE1 3.59Å; R40-E187 PolarHBondContact NE-OE1 3.34Å; R40-E187 IonicContact NE-OE2 2.81Å; R40-E187 PolarHBondContact NE-OE2 3.3Å; R40-E187 IonicContact NH2-OE1 3.41Å; R40-E187 IonicContact NH2-OE2 3.65Å; R40-E187 PolarHBondContact NH2-OE2 2.79Å |
| 41 | T | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.1 | -50 | 174.2 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | A37 Y39 C43 K44 L45 P182 E187 F191 W228 | A37-T41 VanDerWaalsContact O-CB 3.3Å; A37-T41 WeakPolarHBondContact O-CB 3.45Å; A37-T41 PolarHBondContact O-N 3.09Å; A37-T41 PolarHBondContact O-OG1 2.9Å; Y39-T41 PolarHBondContact O-N 3.24Å; T41-C43 VanDerWaalsContact C-N 3.35Å; T41-C43 PolarHBondContact O-N 3.21Å; T41-K44 PolarHBondContact O-N 3.34Å; T41-L45 HydrophobicContact CG2-CD1 3.99Å; T41-L45 WeakPolarHBondContact O-CG 3.39Å; T41-L45 PolarHBondContact O-N 2.8Å; T41-P182 HydrophobicContact CG2-CB 3.71Å; T41-E187 HydrophobicContact CG2-CB 4.35Å; T41-E187 HydrophobicContact CG2-CG 4.39Å; T41-E187 WeakPolarHBondContact OG1-CB 3.4Å; T41-E187 VanDerWaalsContact OG1-CG 3.28Å; T41-E187 WeakPolarHBondContact OG1-CG 3.46Å; T41-F191 HydrophobicContact CG2-CD2 4.28Å; T41-F191 WeakPolarHBondContact OG1-CD2 3.42Å; T41-F191 WeakPolarHBondContact OG1-CE2 3.36Å; T41-W228 HydrophobicContact CG2-CB 3.78Å; T41-W228 HydrophobicContact CG2-CD2 4.13Å; T41-W228 HydrophobicContact CG2-CG 3.81Å |
| 42 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T38 Y39 R46 L231 F232 M235 | T38-A42 WeakPolarHBondContact O-CB 3.32Å; T38-A42 PolarHBondContact O-N 3.37Å; T38-A42 VanDerWaalsContact O-N 3.08Å; Y39-A42 PolarHBondContact O-N 3.24Å; A42-R46 WeakPolarHBondContact O-CB 3.46Å; A42-R46 PolarHBondContact O-N 3.26Å; A42-L231 HydrophobicContact CB-CD2 4.28Å; A42-L231 HydrophobicContact CB-CG 4.14Å; A42-F232 HydrophobicContact CB-CB 4.1Å; A42-M235 HydrophobicContact CB-CE 3.52Å; A42-M235 HydrophobicContact CB-SD 4.24Å |
| 43 | C | 97.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 5% | 0.054 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.1 | -48.1 | 174.9 | -72 | 0 | 0 | 0 | 0 | 112.3 | F31 I34 Y39 R40 T41 R46 F47 M235 W276 | F31-C43 HydrophobicContact CD1-CB 3.62Å; F31-C43 HydrophobicContact CE1-CB 3.79Å; F31-C43 HydrophobicContact CG-CB 4.03Å; F31-C43 HydrophobicContact CZ-CB 4.32Å; I34-C43 HydrophobicContact CD1-CB 4.2Å; Y39-C43 WeakPolarHBondContact O-CB 3.38Å; Y39-C43 PolarHBondContact O-N 3.15Å; Y39-C43 PolarHBondContact O-SG 2.98Å; R40-C43 PolarHBondContact O-N 2.95Å; T41-C43 VanDerWaalsContact C-N 3.35Å; T41-C43 PolarHBondContact O-N 3.21Å; C43-R46 PolarHBondContact O-N 2.89Å; C43-F47 PolarHBondContact O-N 2.58Å; C43-M235 VanDerWaalsContact SG-CE 3.53Å; C43-W276 VanDerWaalsContact SG-CZ3 3.53Å |
| 44 | K | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 178.5 | -73.1 | 177.9 | 174 | -179.9 | 0 | 111.8 | M26 F31 D32 R40 T41 F47 V48 V185 E187 | M26-K44 HydrophobicContact CE-CD 4.48Å; M26-K44 HydrophobicContact CG-CG 4.3Å; M26-K44 HydrophobicContact SD-CB 3.7Å; M26-K44 HydrophobicContact SD-CD 4.25Å; M26-K44 HydrophobicContact SD-CG 3.74Å; F31-K44 HydrophobicContact CB-CG 4.05Å; F31-K44 HydrophobicContact CD2-CG 3.95Å; F31-K44 HydrophobicContact CG-CG 4.35Å; D32-K44 WeakPolarHBondContact OD1-CE 3.4Å; D32-K44 IonicContact OD1-NZ 2.8Å; D32-K44 PolarHBondContact OD1-NZ 3.06Å; R40-K44 HydrophobicContact CG-CD 4.44Å; R40-K44 WeakPolarHBondContact O-CG 3.13Å; R40-K44 PolarHBondContact O-N 2.79Å; T41-K44 PolarHBondContact O-N 3.34Å; K44-F47 WeakPolarHBondContact O-CB 3.3Å; K44-F47 PolarHBondContact O-N 3.24Å; K44-V48 WeakPolarHBondContact O-CG2 3.27Å; K44-V48 PolarHBondContact O-N 3.02Å; K44-V185 HydrophobicContact CB-CB 3.95Å; K44-V185 HydrophobicContact CB-CG1 4.34Å; K44-V185 HydrophobicContact CB-CG2 3.96Å; K44-V185 HydrophobicContact CD-CB 4.1Å; K44-V185 HydrophobicContact CD-CG2 4.22Å; K44-V185 VanDerWaalsContact CD-O 3.31Å; K44-V185 WeakPolarHBondContact CD-O 3.5Å; K44-V185 PolarHBondContact NZ-O 2.92Å; K44-V185 VanDerWaalsContact NZ-O 3.15Å; K44-E187 HydrophobicContact CD-CG 4.2Å; K44-E187 WeakPolarHBondContact CE-OE1 3.47Å; K44-E187 IonicContact NZ-OE1 3.69Å; K44-E187 PolarHBondContact NZ-OE1 2.87Å |
| 45 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.7 | -34.2 | 176.2 | -67.3 | 175.1 | 0 | 0 | 0 | 112.6 | T41 F47 V48 Q49 F118 L143 L181 V185 W228 F232 | T41-L45 HydrophobicContact CG2-CD1 3.99Å; T41-L45 WeakPolarHBondContact O-CG 3.39Å; T41-L45 PolarHBondContact O-N 2.8Å; L45-F47 VanDerWaalsContact C-N 3.35Å; L45-V48 PolarHBondContact O-N 2.92Å; L45-Q49 VanDerWaalsContact O-CB 3.25Å; L45-Q49 WeakPolarHBondContact O-CB 3.46Å; L45-Q49 PolarHBondContact O-N 3.18Å; L45-F118 HydrophobicContact CD2-CZ 4.32Å; L45-L143 HydrophobicContact CB-CD2 4.5Å; L45-L143 HydrophobicContact CD2-CD2 4.49Å; L45-L181 HydrophobicContact CD1-CB 4.48Å; L45-L181 HydrophobicContact CD2-CB 4.22Å; L45-V185 HydrophobicContact CD2-CG1 3.9Å; L45-V185 HydrophobicContact CD2-CG2 4.13Å; L45-V185 HydrophobicContact CG-CG2 4.24Å; L45-W228 HydrophobicContact CD1-CD2 4.28Å; L45-W228 HydrophobicContact CD1-CE3 3.52Å; L45-W228 HydrophobicContact CD1-CH2 4.03Å; L45-W228 HydrophobicContact CD1-CZ3 3.39Å; L45-F232 HydrophobicContact CB-CD2 4.06Å; L45-F232 HydrophobicContact CB-CE2 4.07Å |
| 46 | R | 98.1 | Very high | 97.4 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 11% | 0.113 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.5 | -35.6 | 172.5 | -177.5 | 58.2 | 171.7 | 175 | -0.4 | 112 | A42 C43 K50 F232 M235 E239 | A42-R46 WeakPolarHBondContact O-CB 3.46Å; A42-R46 PolarHBondContact O-N 3.26Å; C43-R46 PolarHBondContact O-N 2.89Å; R46-K50 WeakPolarHBondContact O-CB 3.42Å; R46-K50 WeakPolarHBondContact O-CG 3.33Å; R46-K50 PolarHBondContact O-N 3.36Å; R46-F232 HydrophobicContact CB-CD2 4.31Å; R46-F232 HydrophobicContact CB-CE2 4.27Å; R46-M235 HydrophobicContact CB-SD 4.29Å; R46-E239 IonicContact CZ-OE2 2.64Å; R46-E239 IonicContact NE-OE2 3.17Å; R46-E239 PolarHBondContact NE-OE2 3.43Å; R46-E239 IonicContact NH2-OE2 2.61Å; R46-E239 PolarHBondContact NH2-OE2 2.86Å |
| 47 | F | 98.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 24.4 Ų | 24.4 | 10% | 0.096 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63 | -50.6 | 172.2 | 175.2 | -92 | 0 | 0 | 0 | 111.5 | L22 E25 M26 Q29 F31 C43 K44 L45 Q49 K50 K51 | L22-F47 HydrophobicContact CD1-CE1 3.9Å; E25-F47 HydrophobicContact CB-CE1 4.46Å; E25-F47 HydrophobicContact CB-CZ 3.79Å; M26-F47 HydrophobicContact CB-CD1 3.76Å; M26-F47 HydrophobicContact CB-CE1 3.57Å; M26-F47 HydrophobicContact CB-CZ 4.29Å; M26-F47 HydrophobicContact CG-CD1 3.83Å; M26-F47 HydrophobicContact CG-CE1 4.18Å; M26-F47 HydrophobicContact CG-CG 4.42Å; M26-F47 HydrophobicContact SD-CD1 4.38Å; Q29-F47 HydrophobicContact CG-CD2 3.72Å; Q29-F47 HydrophobicContact CG-CE2 3.64Å; Q29-F47 HydrophobicContact CG-CZ 4.46Å; F31-F47 HydrophobicContact CE2-CB 3.65Å; F31-F47 HydrophobicContact CE2-CD2 4.14Å; F31-F47 AromaticContact CE2-CG 3.98Å; F31-F47 HydrophobicContact CE2-CG 3.98Å; F31-F47 HydrophobicContact CZ-CB 4.1Å; F31-F47 HydrophobicContact CZ-CD2 4.46Å; C43-F47 PolarHBondContact O-N 2.58Å; K44-F47 WeakPolarHBondContact O-CB 3.3Å; K44-F47 PolarHBondContact O-N 3.24Å; L45-F47 VanDerWaalsContact C-N 3.35Å; F47-Q49 PolarHBondContact O-N 3.26Å; F47-K50 PolarHBondContact O-N 2.94Å; F47-K50 VanDerWaalsContact O-N 3.15Å; F47-K51 HydrophobicContact CD1-CG 4.36Å; F47-K51 HydrophobicContact CE1-CG 3.9Å; F47-K51 HydrophobicContact CE2-CG 4.17Å; F47-K51 HydrophobicContact CZ-CD 4.3Å; F47-K51 HydrophobicContact CZ-CG 3.79Å; F47-K51 PolarHBondContact O-N 3.18Å |
| 48 | V | 98 | Very high | 97.6 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.7 | -47 | 175.2 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | L22 K44 L45 K50 K51 A52 F118 V185 | L22-V48 HydrophobicContact CD2-CG2 4.39Å; K44-V48 WeakPolarHBondContact O-CG2 3.27Å; K44-V48 PolarHBondContact O-N 3.02Å; L45-V48 PolarHBondContact O-N 2.92Å; V48-K50 PolarHBondContact O-N 2.99Å; V48-K51 PolarHBondContact O-N 3.33Å; V48-A52 WeakPolarHBondContact O-CB 3.43Å; V48-A52 PolarHBondContact O-N 2.67Å; V48-F118 HydrophobicContact CB-CE2 4.33Å; V48-F118 HydrophobicContact CG1-CD1 4.13Å; V48-F118 HydrophobicContact CG1-CD2 3.63Å; V48-F118 HydrophobicContact CG1-CE1 4.2Å; V48-F118 HydrophobicContact CG1-CE2 3.72Å; V48-F118 HydrophobicContact CG1-CG 3.85Å; V48-F118 HydrophobicContact CG1-CZ 4Å; V48-F118 HydrophobicContact CG2-CD2 4.15Å; V48-F118 HydrophobicContact CG2-CE2 3.9Å; V48-V185 HydrophobicContact CG2-CG1 4.26Å |
| 49 | Q | 98.2 | Very high | 97.7 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.028 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.5 | -35.1 | 177.1 | -175 | -169.6 | 38.4 | 0 | 0 | 112.8 | L45 F47 N53 L54 H55 L143 C144 F232 | L45-Q49 VanDerWaalsContact O-CB 3.25Å; L45-Q49 WeakPolarHBondContact O-CB 3.46Å; L45-Q49 PolarHBondContact O-N 3.18Å; F47-Q49 PolarHBondContact O-N 3.26Å; Q49-N53 PolarHBondContact O-N 3.34Å; Q49-L54 HydrophobicContact CG-CB 4.04Å; Q49-L54 PolarHBondContact O-N 2.95Å; Q49-H55 HydrophobicContact CG-CB 3.99Å; Q49-H55 PolarHBondContact O-N 3.33Å; Q49-H55 PolarHBondContact O-ND1 3.49Å; Q49-L143 VanDerWaalsContact CG-O 3.26Å; Q49-L143 WeakPolarHBondContact CG-O 3.32Å; Q49-L143 PolarHBondContact NE2-O 3.49Å; Q49-C144 PolarHBondContact NE2-O 3.15Å; Q49-F232 HydrophobicContact CB-CE2 4.3Å; Q49-F232 HydrophobicContact CB-CZ 4.3Å; Q49-F232 VanDerWaalsContact CD-CZ 3.49Å; Q49-F232 HydrophobicContact CG-CZ 4.3Å |
| 50 | K | 97.2 | Very high | 97.7 | Very high | 70 Ų | 70 | 32.4 Ų | 32.4 | 30% | 0.304 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -74.4 | -51.2 | 175.4 | -79.9 | -170.5 | 163.9 | -171.2 | 0 | 112.2 | R46 F47 V48 A52 N53 E239 | R46-K50 WeakPolarHBondContact O-CB 3.42Å; R46-K50 WeakPolarHBondContact O-CG 3.33Å; R46-K50 PolarHBondContact O-N 3.36Å; F47-K50 PolarHBondContact O-N 2.94Å; F47-K50 VanDerWaalsContact O-N 3.15Å; V48-K50 PolarHBondContact O-N 2.99Å; K50-A52 VanDerWaalsContact C-N 3.27Å; K50-A52 PolarHBondContact O-N 2.75Å; K50-N53 PolarHBondContact O-N 3.34Å; K50-E239 VanDerWaalsContact CE-OE2 3.28Å; K50-E239 WeakPolarHBondContact CE-OE2 3.43Å; K50-E239 IonicContact NZ-OE1 3.72Å; K50-E239 PolarHBondContact NZ-OE1 3.22Å; K50-E239 IonicContact NZ-OE2 2.71Å; K50-E239 PolarHBondContact NZ-OE2 2.83Å |
| 51 | K | 96.7 | Very high | 97.7 | Very high | 87 Ų | 87 | 30.8 Ų | 30.8 | 38% | 0.378 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -58.9 | -35.3 | 178.1 | -77.4 | -79.7 | 172.2 | 168 | 0 | 113.2 | L22 E25 F47 V48 | L22-K51 HydrophobicContact CD1-CB 3.9Å; L22-K51 HydrophobicContact CD1-CG 4.13Å; E25-K51 WeakPolarHBondContact OE2-CE 3.48Å; E25-K51 IonicContact OE2-NZ 3.4Å; E25-K51 PolarHBondContact OE2-NZ 3.35Å; F47-K51 HydrophobicContact CD1-CG 4.36Å; F47-K51 HydrophobicContact CE1-CG 3.9Å; F47-K51 HydrophobicContact CE2-CG 4.17Å; F47-K51 HydrophobicContact CZ-CD 4.3Å; F47-K51 HydrophobicContact CZ-CG 3.79Å; F47-K51 PolarHBondContact O-N 3.18Å; V48-K51 PolarHBondContact O-N 3.33Å |
| 52 | A | 97 | Very high | 97.7 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V48 K50 L54 Y93 T111 L115 | V48-A52 WeakPolarHBondContact O-CB 3.43Å; V48-A52 PolarHBondContact O-N 2.67Å; K50-A52 VanDerWaalsContact C-N 3.27Å; K50-A52 PolarHBondContact O-N 2.75Å; A52-L54 HydrophobicContact CB-CD1 4.46Å; A52-L54 HydrophobicContact CB-CG 4.29Å; A52-L54 PolarHBondContact O-N 2.81Å; A52-Y93 PolarHBondContact O-OH 2.9Å; A52-T111 WeakPolarHBondContact O-CG2 3.45Å; A52-L115 HydrophobicContact CB-CB 4.2Å; A52-L115 HydrophobicContact CB-CD1 4.4Å |
| 53 | N | 97.7 | Very high | 97.7 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 17% | 0.171 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 12.5 | -179.8 | -64.6 | -51.8 | 0 | 0 | 0 | 116.5 | Q49 K50 H55 L56 Y93 I106 T111 | Q49-N53 PolarHBondContact O-N 3.34Å; K50-N53 PolarHBondContact O-N 3.34Å; N53-H55 PolarHBondContact O-N 2.99Å; N53-H55 VanDerWaalsContact O-N 3.15Å; N53-L56 HydrophobicContact CB-CD1 4.39Å; N53-L56 WeakPolarHBondContact O-CB 3.46Å; N53-L56 PolarHBondContact O-N 2.78Å; N53-Y93 HydrophobicContact CB-CE1 4.41Å; N53-I106 HydrophobicContact CB-CD1 3.81Å; N53-I106 HydrophobicContact CB-CG2 4.41Å; N53-T111 HydrophobicContact CB-CG2 3.91Å; N53-T111 PolarHBondContact ND2-OG1 3.42Å |
| 54 | L | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.1 | 179.4 | -73.6 | 177.6 | 0 | 0 | 0 | 113 | Q49 A52 L56 V57 L115 L140 L143 C144 A145 | Q49-L54 HydrophobicContact CG-CB 4.04Å; Q49-L54 PolarHBondContact O-N 2.95Å; A52-L54 HydrophobicContact CB-CD1 4.46Å; A52-L54 HydrophobicContact CB-CG 4.29Å; A52-L54 PolarHBondContact O-N 2.81Å; L54-L56 PolarHBondContact O-N 3.33Å; L54-V57 HydrophobicContact CD2-CB 4.37Å; L54-V57 HydrophobicContact CD2-CG2 4.31Å; L54-V57 PolarHBondContact O-N 3.09Å; L54-L115 HydrophobicContact CD1-CD1 3.85Å; L54-L115 HydrophobicContact CD1-CD2 4.09Å; L54-L115 HydrophobicContact CD2-CD2 3.89Å; L54-L115 HydrophobicContact CG-CD2 4.17Å; L54-L140 HydrophobicContact CD2-CD2 4.24Å; L54-L143 HydrophobicContact CD1-CB 3.66Å; L54-L143 HydrophobicContact CD1-CD1 4.24Å; L54-C144 CarbonylContact O-C 3.27Å; L54-C144 WeakPolarHBondContact O-CA 3.27Å; L54-A145 PolarHBondContact O-N 2.87Å; L54-A145 VanDerWaalsContact O-N 3.11Å |
| 55 | H | 96.9 | Very high | 97.7 | Very high | 55 Ų | 55 | 36 Ų | 36 | 26% | 0.255 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -10.3 | 169.7 | 68.4 | -72.2 | 0 | 0 | 0 | 114.3 | Q49 N53 A145 | Q49-H55 HydrophobicContact CG-CB 3.99Å; Q49-H55 PolarHBondContact O-N 3.33Å; Q49-H55 PolarHBondContact O-ND1 3.49Å; N53-H55 PolarHBondContact O-N 2.99Å; N53-H55 VanDerWaalsContact O-N 3.15Å; H55-A145 WeakPolarHBondContact O-CB 3.36Å |
| 56 | L | 97.3 | Very high | 97.7 | Very high | 67 Ų | 67 | 36 Ų | 36 | 35% | 0.351 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -18.5 | 173.5 | -54 | 178.7 | 0 | 0 | 0 | 112.7 | N53 L54 L96 L100 I106 | N53-L56 HydrophobicContact CB-CD1 4.39Å; N53-L56 WeakPolarHBondContact O-CB 3.46Å; N53-L56 PolarHBondContact O-N 2.78Å; L54-L56 PolarHBondContact O-N 3.33Å; L56-L96 HydrophobicContact CB-CD1 4.04Å; L56-L96 HydrophobicContact CB-CD2 3.86Å; L56-L96 HydrophobicContact CD1-CD2 4.47Å; L56-L96 WeakPolarHBondContact O-CD1 3.16Å; L56-L100 HydrophobicContact CD1-CD1 4.37Å; L56-I106 HydrophobicContact CD1-CG2 4.18Å |
| 57 | V | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -85.8 | 116 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 109 | L54 N61 V62 I92 Y93 L96 C144 A145 | L54-V57 HydrophobicContact CD2-CB 4.37Å; L54-V57 HydrophobicContact CD2-CG2 4.31Å; L54-V57 PolarHBondContact O-N 3.09Å; V57-N61 HydrophobicContact CG1-CB 4.27Å; V57-V62 HydrophobicContact CG1-CG2 3.74Å; V57-I92 HydrophobicContact CB-CG2 4.4Å; V57-I92 HydrophobicContact CG1-CG2 3.67Å; V57-I92 HydrophobicContact CG2-CG2 3.78Å; V57-Y93 HydrophobicContact CG2-CD1 4.28Å; V57-Y93 HydrophobicContact CG2-CE1 3.91Å; V57-L96 HydrophobicContact CG2-CD2 3.98Å; V57-C144 CarbonylContact O-C 3.47Å; V57-C144 VanDerWaalsContact O-CB 3.27Å; V57-C144 WeakPolarHBondContact O-CB 3.18Å; V57-A145 VanDerWaalsContact O-CB 3.3Å; V57-A145 WeakPolarHBondContact O-CB 3.49Å; V57-A145 PolarHBondContact O-N 3.06Å | ||
| 58 | D | 97.1 | Very high | 97.6 | Very high | 39 Ų | 39 | 44.4 Ų | 44.4 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | trans | -78.9 | 165.6 | 173.6 | 66.3 | 81.6 | 0 | 0 | 0 | 113.3 | W60 N61 V62 R99 | D58-W60 VanDerWaalsContact C-N 3.29Å; D58-W60 PolarHBondContact O-N 3.37Å; D58-W60 WeakPolarHBondContact OD1-CA 3.38Å; D58-W60 VanDerWaalsContact OD1-CB 3.24Å; D58-W60 WeakPolarHBondContact OD1-CB 3.47Å; D58-W60 PolarHBondContact OD1-N 3.11Å; D58-N61 PolarHBondContact O-N 3.45Å; D58-N61 PolarHBondContact OD1-N 2.97Å; D58-V62 PolarHBondContact O-N 3.13Å; D58-R99 IonicContact OD2-CZ 3.62Å; D58-R99 IonicContact OD2-NH1 3.41Å; D58-R99 PolarHBondContact OD2-NH1 3.3Å; D58-R99 IonicContact OD2-NH2 2.78Å; D58-R99 PolarHBondContact OD2-NH2 3.4Å; D58-R99 VanDerWaalsContact OD2-NH2 3.08Å | ||
| 59 | I | 98 | Very high | 97.5 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.077 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -29.2 | -179.8 | -171.5 | 59.7 | 0 | 0 | 0 | 113.6 | V62 I63 A141 K151 Y154 | I59-V62 PolarHBondContact O-N 3.13Å; I59-I63 HydrophobicContact CG1-CD1 4.04Å; I59-I63 VanDerWaalsContact O-CG1 3.27Å; I59-I63 WeakPolarHBondContact O-CG1 3.29Å; I59-I63 PolarHBondContact O-N 2.88Å; I59-A141 HydrophobicContact CD1-CB 3.86Å; I59-K151 HydrophobicContact CD1-CG 4.39Å; I59-Y154 HydrophobicContact CD1-CD1 3.94Å; I59-Y154 HydrophobicContact CD1-CG 4.29Å |
| 60 | W | 97.3 | Very high | 97.4 | Very high | 195 Ų | 195 | 46.3 Ų | 46.3 | 74% | 0.739 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -70.6 | -41.9 | 178.1 | -62.3 | 102.5 | 0 | 0 | 0 | 110.8 | D58 V62 I63 E64 | D58-W60 VanDerWaalsContact C-N 3.29Å; D58-W60 PolarHBondContact O-N 3.37Å; D58-W60 WeakPolarHBondContact OD1-CA 3.38Å; D58-W60 VanDerWaalsContact OD1-CB 3.24Å; D58-W60 WeakPolarHBondContact OD1-CB 3.47Å; D58-W60 PolarHBondContact OD1-N 3.11Å; W60-V62 VanDerWaalsContact C-N 3.27Å; W60-V62 PolarHBondContact O-N 3.16Å; W60-I63 PolarHBondContact O-N 2.73Å; W60-E64 VanDerWaalsContact O-CB 3.25Å; W60-E64 WeakPolarHBondContact O-CB 3.15Å; W60-E64 PolarHBondContact O-N 3.14Å |
| 61 | N | 97.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -37.5 | 174.1 | -169.1 | 29.8 | 0 | 0 | 0 | 112.2 | V57 D58 S65 I92 N95 R99 | V57-N61 HydrophobicContact CG1-CB 4.27Å; D58-N61 PolarHBondContact O-N 3.45Å; D58-N61 PolarHBondContact OD1-N 2.97Å; N61-S65 VanDerWaalsContact O-CB 3.25Å; N61-S65 WeakPolarHBondContact O-CB 3.05Å; N61-S65 PolarHBondContact O-N 2.84Å; N61-S65 PolarHBondContact O-OG 3.22Å; N61-I92 PolarHBondContact ND2-O 3.32Å; N61-N95 WeakPolarHBondContact OD1-CB 3.35Å; N61-R99 VanDerWaalsContact CG-NH2 3.31Å; N61-R99 PolarHBondContact ND2-NH2 2.85Å |
| 62 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -55.8 | 172.8 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | V57 D58 I59 W60 E64 S65 F66 L140 C144 | V57-V62 HydrophobicContact CG1-CG2 3.74Å; D58-V62 PolarHBondContact O-N 3.13Å; I59-V62 PolarHBondContact O-N 3.13Å; W60-V62 VanDerWaalsContact C-N 3.27Å; W60-V62 PolarHBondContact O-N 3.16Å; V62-E64 VanDerWaalsContact C-N 3.3Å; V62-E64 PolarHBondContact O-N 3.44Å; V62-S65 PolarHBondContact O-N 3.42Å; V62-F66 HydrophobicContact CG1-CD2 3.88Å; V62-F66 HydrophobicContact CG1-CE2 3.74Å; V62-F66 VanDerWaalsContact O-CD2 3.26Å; V62-F66 WeakPolarHBondContact O-CD2 3.37Å; V62-F66 PolarHBondContact O-N 3.33Å; V62-F66 VanDerWaalsContact O-N 3.1Å; V62-L140 HydrophobicContact CG1-CB 3.8Å; V62-L140 HydrophobicContact CG2-CB 4.39Å; V62-C144 HydrophobicContact CG2-CB 3.89Å |
| 63 | I | 98 | Very high | 97.1 | Very high | 52 Ų | 52 | 47 Ų | 47 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55.9 | -46.6 | -178.9 | -68.3 | 166.5 | 0 | 0 | 0 | 111.1 | I59 W60 F66 R67 Y154 | I59-I63 HydrophobicContact CG1-CD1 4.04Å; I59-I63 VanDerWaalsContact O-CG1 3.27Å; I59-I63 WeakPolarHBondContact O-CG1 3.29Å; I59-I63 PolarHBondContact O-N 2.88Å; W60-I63 PolarHBondContact O-N 2.73Å; I63-F66 PolarHBondContact O-N 3.07Å; I63-R67 PolarHBondContact O-N 3.42Å; I63-R67 VanDerWaalsContact O-N 3.09Å; I63-Y154 HydrophobicContact CD1-CD2 3.64Å; I63-Y154 HydrophobicContact CD1-CE2 4.09Å; I63-Y154 HydrophobicContact CD1-CG 4.08Å; I63-Y154 HydrophobicContact CG1-CD2 3.68Å; I63-Y154 HydrophobicContact CG1-CE2 3.59Å; I63-Y154 HydrophobicContact CG1-CG 4.22Å |
| 64 | E | 97.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 48.5 Ų | 48.5 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.4 | -41.4 | -176.7 | -170.1 | 68 | 166.9 | 0 | 0 | 111.7 | W60 V62 F66 R67 E68 | W60-E64 VanDerWaalsContact O-CB 3.25Å; W60-E64 WeakPolarHBondContact O-CB 3.15Å; W60-E64 PolarHBondContact O-N 3.14Å; V62-E64 VanDerWaalsContact C-N 3.3Å; V62-E64 PolarHBondContact O-N 3.44Å; E64-F66 VanDerWaalsContact C-N 3.3Å; E64-F66 PolarHBondContact O-N 2.64Å; E64-R67 VanDerWaalsContact CD-NE 3.34Å; E64-R67 CarbonylContact O-C 3.55Å; E64-R67 WeakPolarHBondContact O-CA 3.43Å; E64-R67 VanDerWaalsContact O-CB 3.3Å; E64-R67 WeakPolarHBondContact O-CB 3.39Å; E64-R67 PolarHBondContact O-N 3.23Å; E64-R67 IonicContact OE1-CZ 3.28Å; E64-R67 IonicContact OE1-NE 3.34Å; E64-R67 PolarHBondContact OE1-NE 3.02Å; E64-R67 IonicContact OE1-NH2 2.67Å; E64-R67 PolarHBondContact OE1-NH2 3.09Å; E64-R67 IonicContact OE2-CZ 2.86Å; E64-R67 IonicContact OE2-NE 2.75Å; E64-R67 PolarHBondContact OE2-NE 3.42Å; E64-R67 IonicContact OE2-NH2 3.65Å; E64-E68 HydrophobicContact CG-CG 4.47Å; E64-E68 WeakPolarHBondContact O-CG 3.18Å; E64-E68 PolarHBondContact O-N 2.85Å |
| 65 | S | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 175.6 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | N61 V62 R67 N69 L88 I92 | N61-S65 VanDerWaalsContact O-CB 3.25Å; N61-S65 WeakPolarHBondContact O-CB 3.05Å; N61-S65 PolarHBondContact O-N 2.84Å; N61-S65 PolarHBondContact O-OG 3.22Å; V62-S65 PolarHBondContact O-N 3.42Å; S65-R67 VanDerWaalsContact C-N 3.31Å; S65-N69 WeakPolarHBondContact O-CB 3.19Å; S65-N69 PolarHBondContact O-N 3.37Å; S65-N69 VanDerWaalsContact O-N 3.12Å; S65-N69 PolarHBondContact O-ND2 3.09Å; S65-L88 VanDerWaalsContact C-CD1 3.45Å; S65-L88 WeakPolarHBondContact O-CD1 3.47Å; S65-I92 WeakPolarHBondContact OG-CA 3.39Å; S65-I92 VanDerWaalsContact OG-CG1 3.27Å; S65-I92 WeakPolarHBondContact OG-CG1 3.48Å |
| 66 | F | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65 | -33.9 | 170.4 | -85.6 | -76.8 | 0 | 0 | 0 | 112.3 | V62 I63 E64 G70 L71 N72 L88 V133 V136 K137 L140 | V62-F66 HydrophobicContact CG1-CD2 3.88Å; V62-F66 HydrophobicContact CG1-CE2 3.74Å; V62-F66 VanDerWaalsContact O-CD2 3.26Å; V62-F66 WeakPolarHBondContact O-CD2 3.37Å; V62-F66 PolarHBondContact O-N 3.33Å; V62-F66 VanDerWaalsContact O-N 3.1Å; I63-F66 PolarHBondContact O-N 3.07Å; E64-F66 VanDerWaalsContact C-N 3.3Å; E64-F66 PolarHBondContact O-N 2.64Å; F66-G70 PolarHBondContact O-N 2.95Å; F66-L71 HydrophobicContact CD1-CB 3.71Å; F66-L71 HydrophobicContact CD1-CD1 4.26Å; F66-L71 HydrophobicContact CE1-CB 4.44Å; F66-L71 HydrophobicContact CE1-CD1 4.45Å; F66-L71 PolarHBondContact O-N 3.29Å; F66-N72 PolarHBondContact O-N 3.36Å; F66-N72 VanDerWaalsContact O-N 3.11Å; F66-L88 HydrophobicContact CD1-CD1 4.27Å; F66-L88 HydrophobicContact CD1-CD2 3.95Å; F66-L88 HydrophobicContact CD2-CD1 4.46Å; F66-L88 HydrophobicContact CE1-CD2 3.44Å; F66-L88 VanDerWaalsContact CE1-CD2 3.44Å; F66-L88 HydrophobicContact CE2-CD2 4.14Å; F66-L88 HydrophobicContact CG-CD1 4.19Å; F66-L88 HydrophobicContact CG-CD2 4.47Å; F66-L88 HydrophobicContact CZ-CD2 3.55Å; F66-V133 HydrophobicContact CD1-CG1 4.4Å; F66-V133 HydrophobicContact CE1-CG1 4.1Å; F66-V136 HydrophobicContact CZ-CB 4.35Å; F66-V136 HydrophobicContact CZ-CG1 4.07Å; F66-K137 HydrophobicContact CD1-CD 4.47Å; F66-K137 HydrophobicContact CD1-CG 3.86Å; F66-K137 HydrophobicContact CD2-CG 4.1Å; F66-K137 HydrophobicContact CE1-CD 4.39Å; F66-K137 HydrophobicContact CE1-CG 3.45Å; F66-K137 VanDerWaalsContact CE1-CG 3.45Å; F66-K137 HydrophobicContact CE2-CB 4.32Å; F66-K137 HydrophobicContact CE2-CG 3.71Å; F66-K137 HydrophobicContact CG-CG 4.2Å; F66-K137 HydrophobicContact CZ-CB 4.07Å; F66-K137 HydrophobicContact CZ-CG 3.37Å; F66-L140 HydrophobicContact CE2-CD1 3.89Å; F66-L140 HydrophobicContact CZ-CD1 4.03Å |
| 67 | R | 97.5 | Very high | 95.9 | Very high | 128 Ų | 128 | 58.9 Ų | 58.9 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.2 | -48 | 177.1 | -167.9 | -170.6 | 69.5 | 72.6 | 0.5 | 111.8 | I63 E64 S65 N69 G70 | I63-R67 PolarHBondContact O-N 3.42Å; I63-R67 VanDerWaalsContact O-N 3.09Å; E64-R67 VanDerWaalsContact CD-NE 3.34Å; E64-R67 CarbonylContact O-C 3.55Å; E64-R67 WeakPolarHBondContact O-CA 3.43Å; E64-R67 VanDerWaalsContact O-CB 3.3Å; E64-R67 WeakPolarHBondContact O-CB 3.39Å; E64-R67 PolarHBondContact O-N 3.23Å; E64-R67 IonicContact OE1-CZ 3.28Å; E64-R67 IonicContact OE1-NE 3.34Å; E64-R67 PolarHBondContact OE1-NE 3.02Å; E64-R67 IonicContact OE1-NH2 2.67Å; E64-R67 PolarHBondContact OE1-NH2 3.09Å; E64-R67 IonicContact OE2-CZ 2.86Å; E64-R67 IonicContact OE2-NE 2.75Å; E64-R67 PolarHBondContact OE2-NE 3.42Å; E64-R67 IonicContact OE2-NH2 3.65Å; S65-R67 VanDerWaalsContact C-N 3.31Å; R67-N69 PolarHBondContact O-N 3.08Å; R67-G70 PolarHBondContact O-N 3.15Å |
| 68 | E | 96.9 | Very high | 95.8 | Very high | 100 Ų | 100 | 60.7 Ų | 60.7 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59 | -35.7 | 176.3 | -70.3 | -178.9 | 162.4 | 0 | 0 | 111.9 | E64 G70 T91 N95 | E64-E68 HydrophobicContact CG-CG 4.47Å; E64-E68 WeakPolarHBondContact O-CG 3.18Å; E64-E68 PolarHBondContact O-N 2.85Å; E68-G70 VanDerWaalsContact C-N 3.32Å; E68-G70 PolarHBondContact O-N 3.15Å; E68-T91 HydrophobicContact CB-CG2 4.38Å; E68-T91 WeakPolarHBondContact OE2-CG2 3.39Å; E68-N95 PolarHBondContact OE2-ND2 3Å |
| 69 | N | 97 | Very high | 95.7 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 3 | 175.7 | -77 | -88.2 | 0 | 0 | 0 | 114.4 | S65 R67 L71 R84 L87 L88 T91 | S65-N69 WeakPolarHBondContact O-CB 3.19Å; S65-N69 PolarHBondContact O-N 3.37Å; S65-N69 VanDerWaalsContact O-N 3.12Å; S65-N69 PolarHBondContact O-ND2 3.09Å; R67-N69 PolarHBondContact O-N 3.08Å; N69-L71 HydrophobicContact CB-CD1 4.03Å; N69-L71 HydrophobicContact CB-CG 3.96Å; N69-L71 PolarHBondContact O-N 2.82Å; N69-L71 VanDerWaalsContact O-N 3.16Å; N69-R84 PolarHBondContact O-NH2 2.88Å; N69-L87 WeakPolarHBondContact OD1-CG 3.48Å; N69-L88 HydrophobicContact CB-CD1 4.43Å; N69-T91 WeakPolarHBondContact ND2-CB 3.31Å; N69-T91 PolarHBondContact ND2-OG1 3.09Å |
| 70 | G | 96.5 | Very high | 95.5 | Very high | 40 Ų | 40 | 63.4 Ų | 63.4 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 17.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F66 R67 E68 | F66-G70 PolarHBondContact O-N 2.95Å; R67-G70 PolarHBondContact O-N 3.15Å; E68-G70 VanDerWaalsContact C-N 3.32Å; E68-G70 PolarHBondContact O-N 3.15Å |
| 71 | L | 96.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | trans | -91.2 | -9.2 | -178.5 | -62.8 | 179.9 | 0 | 0 | 0 | 112 | F66 N69 L74 V80 R84 L88 V133 K137 | F66-L71 HydrophobicContact CD1-CB 3.71Å; F66-L71 HydrophobicContact CD1-CD1 4.26Å; F66-L71 HydrophobicContact CE1-CB 4.44Å; F66-L71 HydrophobicContact CE1-CD1 4.45Å; F66-L71 PolarHBondContact O-N 3.29Å; N69-L71 HydrophobicContact CB-CD1 4.03Å; N69-L71 HydrophobicContact CB-CG 3.96Å; N69-L71 PolarHBondContact O-N 2.82Å; N69-L71 VanDerWaalsContact O-N 3.16Å; L71-L74 HydrophobicContact CD2-CD1 3.56Å; L71-V80 HydrophobicContact CD2-CG1 4.2Å; L71-R84 HydrophobicContact CD2-CG 4.09Å; L71-L88 HydrophobicContact CD1-CB 4.18Å; L71-L88 HydrophobicContact CD1-CD1 4.45Å; L71-L88 HydrophobicContact CD1-CD2 4.02Å; L71-L88 HydrophobicContact CD1-CG 4.45Å; L71-V133 HydrophobicContact CB-CG1 4.12Å; L71-V133 HydrophobicContact CD2-CG2 4.41Å; L71-V133 WeakPolarHBondContact O-CG1 3.36Å; L71-K137 WeakPolarHBondContact O-CE 3.49Å; L71-K137 PolarHBondContact O-NZ 3.47Å | ||
| 72 | N | 94.6 | Very high | 95 | Very high | 81 Ų | 81 | 61 Ų | 61 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -66.3 | -42.3 | 176.7 | 66.4 | -49.7 | 0 | 0 | 0 | 112.2 | F66 K137 | F66-N72 PolarHBondContact O-N 3.36Å; F66-N72 VanDerWaalsContact O-N 3.11Å; N72-K137 PolarHBondContact O-NZ 2.96Å |
| 73 | A | 92.2 | Very high | 94.8 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 73% | 0.727 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -92.3 | 1.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 74 | L | 93.9 | Very high | 94.6 | Very high | 65 Ų | 65 | 66.1 Ų | 66.1 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -70.1 | 154.7 | 176.6 | -63.8 | 177.3 | 0 | 0 | 0 | 111.8 | L71 T78 V80 V133 | L71-L74 HydrophobicContact CD2-CD1 3.56Å; L74-T78 HydrophobicContact CB-CG2 4.33Å; L74-T78 HydrophobicContact CD1-CG2 4.12Å; L74-V80 HydrophobicContact CD1-CG1 4.24Å; L74-V133 HydrophobicContact CD1-CG2 3.98Å |
| 75 | E | 91.9 | Very high | 94.5 | Very high | 160 Ų | 160 | 62.8 Ų | 62.8 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | trans | -62.3 | 154.6 | 177.5 | -59.9 | -174.7 | 165 | 0 | 0 | 111.8 | K77 T78 | E75-K77 PolarHBondContact O-N 2.98Å; E75-K77 VanDerWaalsContact O-N 3.08Å; E75-T78 WeakPolarHBondContact CB-OG1 3.41Å; E75-T78 PolarHBondContact N-OG1 3.41Å; E75-T78 WeakPolarHBondContact O-CB 3.49Å; E75-T78 PolarHBondContact O-N 3.24Å; E75-T78 PolarHBondContact O-OG1 3.38Å | ||
| 76 | Y | 88.3 | Confident | 94.4 | Very high | 52 Ų | 52 | 65.7 Ų | 65.7 | 20% | 0.204 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -36 | -171.8 | -177.7 | -106.4 | 0 | 0 | 0 | 114.2 | F134 K170 D173 | Y76-F134 AromaticContact CD2-CD2 3.99Å; Y76-F134 HydrophobicContact CD2-CD2 3.99Å; Y76-F134 HydrophobicContact CD2-CE2 4.42Å; Y76-F134 HydrophobicContact CD2-CG 4.22Å; Y76-F134 HydrophobicContact CE2-CB 4.43Å; Y76-F134 AromaticContact CE2-CD1 3.98Å; Y76-F134 HydrophobicContact CE2-CD1 3.98Å; Y76-F134 AromaticContact CE2-CD2 3.37Å; Y76-F134 HydrophobicContact CE2-CD2 3.37Å; Y76-F134 HydrophobicContact CE2-CE1 4.05Å; Y76-F134 AromaticContact CE2-CE2 3.45Å; Y76-F134 HydrophobicContact CE2-CE2 3.45Å; Y76-F134 VanDerWaalsContact CE2-CE2 3.45Å; Y76-F134 AromaticContact CE2-CG 3.64Å; Y76-F134 HydrophobicContact CE2-CG 3.64Å; Y76-F134 AromaticContact CE2-CZ 3.79Å; Y76-F134 HydrophobicContact CE2-CZ 3.79Å; Y76-F134 AromaticContact CZ-CD1 3.8Å; Y76-F134 AromaticContact CZ-CE1 3.76Å; Y76-F134 AromaticContact CZ-CG 3.95Å; Y76-F134 AromaticContact CZ-CZ 3.86Å; Y76-F134 WeakPolarHBondContact O-CB 3.14Å; Y76-F134 WeakPolarHBondContact OH-CE1 3.44Å; Y76-F134 WeakPolarHBondContact OH-CZ 3.44Å; Y76-K170 HydrophobicContact CD1-CG 4.38Å; Y76-K170 HydrophobicContact CD2-CD 4.17Å; Y76-K170 HydrophobicContact CD2-CG 4.3Å; Y76-K170 HydrophobicContact CE1-CB 4.43Å; Y76-K170 HydrophobicContact CE1-CG 4.04Å; Y76-K170 HydrophobicContact CE2-CB 4.06Å; Y76-K170 HydrophobicContact CE2-CD 4.1Å; Y76-K170 HydrophobicContact CE2-CG 3.93Å; Y76-K170 WeakPolarHBondContact OH-CA 3.37Å; Y76-K170 PolarHBondContact OH-O 3.4Å; Y76-K170 VanDerWaalsContact OH-O 3.09Å; Y76-D173 HydrophobicContact CE1-CB 4.14Å; Y76-D173 WeakPolarHBondContact OH-CB 3.25Å |
| 77 | K | 90.8 | Very high | 94.3 | Very high | 127 Ų | 127 | 69.4 Ų | 69.4 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 13.6 | -178.9 | -55.2 | -159.6 | 172 | -161.1 | 0 | 114.1 | E75 E79 D173 | E75-K77 PolarHBondContact O-N 2.98Å; E75-K77 VanDerWaalsContact O-N 3.08Å; K77-E79 PolarHBondContact O-N 2.92Å; K77-D173 VanDerWaalsContact CE-OD2 3.31Å; K77-D173 WeakPolarHBondContact CE-OD2 3.11Å; K77-D173 IonicContact NZ-OD2 2.73Å; K77-D173 PolarHBondContact NZ-OD2 2.98Å |
| 78 | T | 95.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 63.3 Ų | 63.3 | 24% | 0.239 | 33% | 0.331 | C | S | . | . | trans | -64.7 | 127.6 | 179 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | L74 E75 V133 | L74-T78 HydrophobicContact CB-CG2 4.33Å; L74-T78 HydrophobicContact CD1-CG2 4.12Å; E75-T78 WeakPolarHBondContact CB-OG1 3.41Å; E75-T78 PolarHBondContact N-OG1 3.41Å; E75-T78 WeakPolarHBondContact O-CB 3.49Å; E75-T78 PolarHBondContact O-N 3.24Å; E75-T78 PolarHBondContact O-OG1 3.38Å; T78-V133 PolarHBondContact O-N 3.27Å | ||
| 79 | E | 95.2 | Very high | 94.4 | Very high | 91 Ų | 91 | 58.6 Ų | 58.6 | 43% | 0.425 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 142.9 | 171.8 | -68.1 | -177.4 | 170 | 0 | 0 | 112.1 | K77 K130 F131 Q132 | K77-E79 PolarHBondContact O-N 2.92Å; E79-K130 HydrophobicContact CB-CD 4.49Å; E79-K130 VanDerWaalsContact OE2-CD 3.22Å; E79-K130 WeakPolarHBondContact OE2-CD 3.24Å; E79-K130 IonicContact OE2-NZ 2.65Å; E79-F131 CarbonylContact C-O 3.58Å; E79-F131 VanDerWaalsContact CA-O 3.3Å; E79-F131 WeakPolarHBondContact CA-O 3.35Å; E79-Q132 HydrophobicContact CG-CG 3.88Å |
| 80 | V | 94.8 | Very high | 94.4 | Very high | 20 Ų | 20 | 60.3 Ų | 60.3 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 151.8 | 173.3 | -62.8 | 0 | 0 | 0 | 0 | 111 | L71 L74 R84 I85 K130 F131 V133 | L71-V80 HydrophobicContact CD2-CG1 4.2Å; L74-V80 HydrophobicContact CD1-CG1 4.24Å; V80-R84 HydrophobicContact CB-CB 4.18Å; V80-R84 HydrophobicContact CB-CG 4.36Å; V80-R84 HydrophobicContact CG2-CB 4.39Å; V80-I85 HydrophobicContact CG2-CD1 3.47Å; V80-I85 VanDerWaalsContact CG2-CD1 3.47Å; V80-I85 HydrophobicContact CG2-CG1 4.09Å; V80-K130 WeakPolarHBondContact O-CA 3.14Å; V80-F131 PolarHBondContact N-O 3.39Å; V80-F131 PolarHBondContact O-N 2.92Å; V80-V133 HydrophobicContact CB-CG2 4.36Å; V80-V133 HydrophobicContact CG1-CG2 3.68Å; V80-V133 HydrophobicContact CG2-CG2 3.77Å |
| 81 | K | 93.4 | Very high | 94.5 | Very high | 143 Ų | 143 | 59.6 Ų | 59.6 | 62% | 0.622 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 151 | 176.5 | -63.3 | -178.1 | 178.9 | -179.1 | 0 | 111.3 | S83 R84 G129 | K81-S83 PolarHBondContact O-N 2.8Å; K81-S83 VanDerWaalsContact O-N 3.14Å; K81-R84 WeakPolarHBondContact O-CB 3.48Å; K81-R84 PolarHBondContact O-N 3.21Å; K81-G129 CarbonylContact C-O 3.55Å; K81-G129 WeakPolarHBondContact CA-O 3.33Å |
| 82 | A | 91 | Very high | 94.6 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -45 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R84 I85 E86 G129 F131 | A82-R84 PolarHBondContact O-N 3.18Å; A82-R84 VanDerWaalsContact O-N 3.14Å; A82-I85 CarbonylContact O-C 3.54Å; A82-I85 WeakPolarHBondContact O-CA 3.27Å; A82-I85 WeakPolarHBondContact O-CB 3.25Å; A82-I85 PolarHBondContact O-N 3.35Å; A82-E86 PolarHBondContact O-N 3.18Å; A82-G129 PolarHBondContact N-O 3.25Å; A82-F131 HydrophobicContact CB-CE2 3.88Å |
| 83 | S | 92.8 | Very high | 94.7 | Very high | 58 Ų | 58 | 55.5 Ų | 55.5 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.1 | -24.3 | 179.1 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | K81 L87 | K81-S83 PolarHBondContact O-N 2.8Å; K81-S83 VanDerWaalsContact O-N 3.14Å; S83-L87 PolarHBondContact O-N 2.85Å |
| 84 | R | 95 | Very high | 94.9 | Very high | 101 Ų | 101 | 56.4 Ų | 56.4 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -78.5 | -28.4 | 173.2 | -168.1 | 58.7 | 173 | -174 | 1.2 | 111.9 | N69 L71 V80 K81 A82 L87 L88 | N69-R84 PolarHBondContact O-NH2 2.88Å; L71-R84 HydrophobicContact CD2-CG 4.09Å; V80-R84 HydrophobicContact CB-CB 4.18Å; V80-R84 HydrophobicContact CB-CG 4.36Å; V80-R84 HydrophobicContact CG2-CB 4.39Å; K81-R84 WeakPolarHBondContact O-CB 3.48Å; K81-R84 PolarHBondContact O-N 3.21Å; A82-R84 PolarHBondContact O-N 3.18Å; A82-R84 VanDerWaalsContact O-N 3.14Å; R84-L87 VanDerWaalsContact NH1-CD2 3.34Å; R84-L88 PolarHBondContact O-N 2.94Å |
| 85 | I | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.2 | -43.8 | 170.6 | -55.9 | -52.2 | 0 | 0 | 0 | 110 | V80 A82 L87 L88 L89 L119 F131 V136 | V80-I85 HydrophobicContact CG2-CD1 3.47Å; V80-I85 VanDerWaalsContact CG2-CD1 3.47Å; V80-I85 HydrophobicContact CG2-CG1 4.09Å; A82-I85 CarbonylContact O-C 3.54Å; A82-I85 WeakPolarHBondContact O-CA 3.27Å; A82-I85 WeakPolarHBondContact O-CB 3.25Å; A82-I85 PolarHBondContact O-N 3.35Å; I85-L87 VanDerWaalsContact C-N 3.29Å; I85-L87 PolarHBondContact O-N 3.41Å; I85-L88 WeakPolarHBondContact O-CA 3.47Å; I85-L88 WeakPolarHBondContact O-CB 3.5Å; I85-L88 PolarHBondContact O-N 3.26Å; I85-L89 HydrophobicContact CG2-CD1 4.43Å; I85-L89 HydrophobicContact CG2-CG 4.3Å; I85-L89 WeakPolarHBondContact O-CG 3.01Å; I85-L89 PolarHBondContact O-N 2.97Å; I85-L119 HydrophobicContact CG2-CD1 4.16Å; I85-F131 HydrophobicContact CD1-CB 4.3Å; I85-F131 HydrophobicContact CG1-CB 4.03Å; I85-F131 HydrophobicContact CG1-CD2 3.77Å; I85-F131 HydrophobicContact CG1-CG 4.03Å; I85-V136 HydrophobicContact CD1-CB 4.47Å; I85-V136 HydrophobicContact CD1-CG1 4.42Å; I85-V136 HydrophobicContact CD1-CG2 3.91Å; I85-V136 HydrophobicContact CG1-CG2 4.43Å; I85-V136 HydrophobicContact CG2-CG1 4.32Å |
| 86 | E | 95 | Very high | 95.3 | Very high | 61 Ų | 61 | 47.1 Ų | 47.1 | 29% | 0.285 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57 | -40.5 | 175 | -70.4 | 169.6 | 177.8 | 0 | 0 | 112.6 | A82 L89 S90 N116 | A82-E86 PolarHBondContact O-N 3.18Å; E86-L89 PolarHBondContact O-N 2.75Å; E86-S90 WeakPolarHBondContact O-CB 3.26Å; E86-S90 PolarHBondContact O-N 3.31Å; E86-S90 PolarHBondContact O-OG 2.87Å; E86-N116 WeakPolarHBondContact CG-ND2 3.49Å; E86-N116 PolarHBondContact OE1-ND2 2.91Å |
| 87 | L | 96.8 | Very high | 95.6 | Very high | 80 Ų | 80 | 45.7 Ų | 45.7 | 42% | 0.419 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 173.4 | -173.7 | 67.9 | 0 | 0 | 0 | 112.2 | N69 S83 R84 I85 L89 S90 T91 | N69-L87 WeakPolarHBondContact OD1-CG 3.48Å; S83-L87 PolarHBondContact O-N 2.85Å; R84-L87 VanDerWaalsContact NH1-CD2 3.34Å; I85-L87 VanDerWaalsContact C-N 3.29Å; I85-L87 PolarHBondContact O-N 3.41Å; L87-L89 PolarHBondContact O-N 3.33Å; L87-S90 WeakPolarHBondContact O-CB 3.41Å; L87-S90 PolarHBondContact O-N 2.84Å; L87-T91 PolarHBondContact O-N 3.34Å; L87-T91 PolarHBondContact O-OG1 2.87Å; L87-T91 VanDerWaalsContact O-OG1 3.09Å |
| 88 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 174.5 | 169.6 | 70 | 0 | 0 | 0 | 111.6 | S65 F66 N69 L71 R84 I85 S90 T91 I92 V136 L140 | S65-L88 VanDerWaalsContact C-CD1 3.45Å; S65-L88 WeakPolarHBondContact O-CD1 3.47Å; F66-L88 HydrophobicContact CD1-CD1 4.27Å; F66-L88 HydrophobicContact CD1-CD2 3.95Å; F66-L88 HydrophobicContact CD2-CD1 4.46Å; F66-L88 HydrophobicContact CE1-CD2 3.44Å; F66-L88 VanDerWaalsContact CE1-CD2 3.44Å; F66-L88 HydrophobicContact CE2-CD2 4.14Å; F66-L88 HydrophobicContact CG-CD1 4.19Å; F66-L88 HydrophobicContact CG-CD2 4.47Å; F66-L88 HydrophobicContact CZ-CD2 3.55Å; N69-L88 HydrophobicContact CB-CD1 4.43Å; L71-L88 HydrophobicContact CD1-CB 4.18Å; L71-L88 HydrophobicContact CD1-CD1 4.45Å; L71-L88 HydrophobicContact CD1-CD2 4.02Å; L71-L88 HydrophobicContact CD1-CG 4.45Å; R84-L88 PolarHBondContact O-N 2.94Å; I85-L88 WeakPolarHBondContact O-CA 3.47Å; I85-L88 WeakPolarHBondContact O-CB 3.5Å; I85-L88 PolarHBondContact O-N 3.26Å; L88-S90 VanDerWaalsContact C-N 3.31Å; L88-S90 PolarHBondContact O-N 2.98Å; L88-T91 WeakPolarHBondContact O-CB 3.35Å; L88-T91 PolarHBondContact O-N 3.36Å; L88-I92 HydrophobicContact CD1-CD1 4.37Å; L88-I92 HydrophobicContact CG-CD1 4.22Å; L88-I92 WeakPolarHBondContact O-CG1 3.46Å; L88-I92 PolarHBondContact O-N 2.72Å; L88-V136 HydrophobicContact CD2-CG1 4.23Å; L88-L140 HydrophobicContact CD2-CD1 4.26Å |
| 89 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.8 | -61.6 | -174.8 | 0 | 0 | 0 | 111.2 | I85 E86 L87 T91 I92 Y93 I112 L115 N116 L119 L140 | I85-L89 HydrophobicContact CG2-CD1 4.43Å; I85-L89 HydrophobicContact CG2-CG 4.3Å; I85-L89 WeakPolarHBondContact O-CG 3.01Å; I85-L89 PolarHBondContact O-N 2.97Å; E86-L89 PolarHBondContact O-N 2.75Å; L87-L89 PolarHBondContact O-N 3.33Å; L89-T91 VanDerWaalsContact C-N 3.33Å; L89-T91 PolarHBondContact O-N 2.83Å; L89-I92 HydrophobicContact CD2-CD1 4.29Å; L89-I92 PolarHBondContact O-N 2.99Å; L89-Y93 HydrophobicContact CB-CE2 4.5Å; L89-Y93 WeakPolarHBondContact O-CD2 3.42Å; L89-Y93 PolarHBondContact O-N 2.93Å; L89-Y93 VanDerWaalsContact O-N 3.07Å; L89-I112 HydrophobicContact CB-CG1 4.18Å; L89-I112 HydrophobicContact CB-CG2 4.1Å; L89-I112 HydrophobicContact CD1-CG2 4.38Å; L89-L115 HydrophobicContact CD1-CB 4.24Å; L89-L115 HydrophobicContact CD1-CD2 4.28Å; L89-L115 HydrophobicContact CD1-CG 4.06Å; L89-L115 HydrophobicContact CD2-CD2 3.64Å; L89-L115 HydrophobicContact CD2-CG 4.2Å; L89-N116 HydrophobicContact CD1-CB 4.1Å; L89-L119 HydrophobicContact CD1-CD1 4.26Å; L89-L119 HydrophobicContact CD2-CD1 4.3Å; L89-L140 HydrophobicContact CD2-CD1 4.29Å; L89-L140 HydrophobicContact CD2-CD2 4.27Å |
| 90 | S | 97.7 | Very high | 95.7 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.4 | -44.5 | 173.9 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | E86 L87 L88 H94 | E86-S90 WeakPolarHBondContact O-CB 3.26Å; E86-S90 PolarHBondContact O-N 3.31Å; E86-S90 PolarHBondContact O-OG 2.87Å; L87-S90 WeakPolarHBondContact O-CB 3.41Å; L87-S90 PolarHBondContact O-N 2.84Å; L88-S90 VanDerWaalsContact C-N 3.31Å; L88-S90 PolarHBondContact O-N 2.98Å; S90-H94 WeakPolarHBondContact O-CB 3.15Å; S90-H94 PolarHBondContact O-N 3.12Å |
| 91 | T | 97.8 | Very high | 95.6 | Very high | 24 Ų | 24 | 50 Ų | 50 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -49.4 | 174.4 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | E68 N69 L87 L88 L89 Y93 H94 N95 | E68-T91 HydrophobicContact CB-CG2 4.38Å; E68-T91 WeakPolarHBondContact OE2-CG2 3.39Å; N69-T91 WeakPolarHBondContact ND2-CB 3.31Å; N69-T91 PolarHBondContact ND2-OG1 3.09Å; L87-T91 PolarHBondContact O-N 3.34Å; L87-T91 PolarHBondContact O-OG1 2.87Å; L87-T91 VanDerWaalsContact O-OG1 3.09Å; L88-T91 WeakPolarHBondContact O-CB 3.35Å; L88-T91 PolarHBondContact O-N 3.36Å; L89-T91 VanDerWaalsContact C-N 3.33Å; L89-T91 PolarHBondContact O-N 2.83Å; T91-Y93 PolarHBondContact O-N 3.23Å; T91-H94 PolarHBondContact O-N 3.43Å; T91-N95 VanDerWaalsContact O-CB 3.32Å; T91-N95 WeakPolarHBondContact O-CB 3.45Å; T91-N95 PolarHBondContact O-N 3.4Å |
| 92 | I | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.1 | -48.8 | -179 | -70.1 | 168.4 | 0 | 0 | 0 | 111.6 | V57 N61 S65 L88 L89 L96 L140 | V57-I92 HydrophobicContact CB-CG2 4.4Å; V57-I92 HydrophobicContact CG1-CG2 3.67Å; V57-I92 HydrophobicContact CG2-CG2 3.78Å; N61-I92 PolarHBondContact ND2-O 3.32Å; S65-I92 WeakPolarHBondContact OG-CA 3.39Å; S65-I92 VanDerWaalsContact OG-CG1 3.27Å; S65-I92 WeakPolarHBondContact OG-CG1 3.48Å; L88-I92 HydrophobicContact CD1-CD1 4.37Å; L88-I92 HydrophobicContact CG-CD1 4.22Å; L88-I92 WeakPolarHBondContact O-CG1 3.46Å; L88-I92 PolarHBondContact O-N 2.72Å; L89-I92 HydrophobicContact CD2-CD1 4.29Å; L89-I92 PolarHBondContact O-N 2.99Å; I92-L96 WeakPolarHBondContact O-CB 3.36Å; I92-L96 PolarHBondContact O-N 3.41Å; I92-L140 HydrophobicContact CD1-CD1 3.72Å |
| 93 | Y | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -80.9 | -29.5 | -175.6 | -66 | -60.9 | 0 | 0 | 0 | 113.5 | A52 N53 V57 L89 T91 L96 N97 I106 T111 I112 L115 | A52-Y93 PolarHBondContact O-OH 2.9Å; N53-Y93 HydrophobicContact CB-CE1 4.41Å; V57-Y93 HydrophobicContact CG2-CD1 4.28Å; V57-Y93 HydrophobicContact CG2-CE1 3.91Å; L89-Y93 HydrophobicContact CB-CE2 4.5Å; L89-Y93 WeakPolarHBondContact O-CD2 3.42Å; L89-Y93 PolarHBondContact O-N 2.93Å; L89-Y93 VanDerWaalsContact O-N 3.07Å; T91-Y93 PolarHBondContact O-N 3.23Å; Y93-L96 HydrophobicContact CD1-CD2 4.14Å; Y93-L96 WeakPolarHBondContact O-CB 3.4Å; Y93-L96 PolarHBondContact O-N 3.3Å; Y93-N97 PolarHBondContact O-N 3.04Å; Y93-I106 HydrophobicContact CD1-CD1 3.55Å; Y93-I106 HydrophobicContact CE1-CD1 4.1Å; Y93-I106 HydrophobicContact CG-CD1 4.25Å; Y93-T111 HydrophobicContact CD1-CG2 4.06Å; Y93-T111 HydrophobicContact CD2-CG2 4.32Å; Y93-T111 HydrophobicContact CE1-CG2 3.49Å; Y93-T111 VanDerWaalsContact CE1-CG2 3.49Å; Y93-T111 HydrophobicContact CE2-CG2 3.81Å; Y93-T111 HydrophobicContact CG-CG2 4.43Å; Y93-I112 HydrophobicContact CD2-CG1 3.61Å; Y93-I112 HydrophobicContact CE2-CG1 4.2Å; Y93-L115 HydrophobicContact CE2-CD2 4.05Å; Y93-L115 WeakPolarHBondContact OH-CD2 3.37Å |
| 94 | H | 96.1 | Very high | 95.7 | Very high | 106 Ų | 106 | 57 Ų | 57 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 169.4 | -177.2 | 68.1 | 0 | 0 | 0 | 111.5 | S90 T91 L96 N97 K98 | S90-H94 WeakPolarHBondContact O-CB 3.15Å; S90-H94 PolarHBondContact O-N 3.12Å; T91-H94 PolarHBondContact O-N 3.43Å; H94-L96 VanDerWaalsContact C-N 3.27Å; H94-L96 PolarHBondContact O-N 3.35Å; H94-N97 PolarHBondContact O-N 2.96Å; H94-K98 PolarHBondContact CD2-NZ 3.14Å; H94-K98 WeakPolarHBondContact NE2-CE 3.45Å; H94-K98 PolarHBondContact NE2-NZ 3.29Å; H94-K98 WeakPolarHBondContact O-CG 3.38Å; H94-K98 PolarHBondContact O-N 3.1Å; H94-K98 VanDerWaalsContact O-N 3.11Å |
| 95 | N | 96 | Very high | 95.6 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -20.3 | 174.5 | -70.1 | -13.7 | 0 | 0 | 0 | 113 | N61 E68 T91 R99 | N61-N95 WeakPolarHBondContact OD1-CB 3.35Å; E68-N95 PolarHBondContact OE2-ND2 3Å; T91-N95 VanDerWaalsContact O-CB 3.32Å; T91-N95 WeakPolarHBondContact O-CB 3.45Å; T91-N95 PolarHBondContact O-N 3.4Å; N95-R99 PolarHBondContact O-NE 2.86Å |
| 96 | L | 96.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74.3 | -54 | 167 | 178.6 | 64 | 0 | 0 | 0 | 111.4 | L56 V57 I92 Y93 H94 K98 R99 L100 I106 | L56-L96 HydrophobicContact CB-CD1 4.04Å; L56-L96 HydrophobicContact CB-CD2 3.86Å; L56-L96 HydrophobicContact CD1-CD2 4.47Å; L56-L96 WeakPolarHBondContact O-CD1 3.16Å; V57-L96 HydrophobicContact CG2-CD2 3.98Å; I92-L96 WeakPolarHBondContact O-CB 3.36Å; I92-L96 PolarHBondContact O-N 3.41Å; Y93-L96 HydrophobicContact CD1-CD2 4.14Å; Y93-L96 WeakPolarHBondContact O-CB 3.4Å; Y93-L96 PolarHBondContact O-N 3.3Å; H94-L96 VanDerWaalsContact C-N 3.27Å; H94-L96 PolarHBondContact O-N 3.35Å; L96-K98 PolarHBondContact O-N 3.44Å; L96-R99 WeakPolarHBondContact O-CA 3.3Å; L96-R99 PolarHBondContact O-N 3.2Å; L96-L100 HydrophobicContact CD1-CD1 4.06Å; L96-L100 HydrophobicContact CD1-CD2 4.32Å; L96-L100 HydrophobicContact CD1-CG 4.06Å; L96-L100 HydrophobicContact CD2-CD1 4.15Å; L96-L100 HydrophobicContact CG-CD1 3.74Å; L96-L100 HydrophobicContact CG-CG 4.15Å; L96-L100 PolarHBondContact O-N 2.99Å; L96-I106 HydrophobicContact CD2-CD1 3.84Å; L96-I106 HydrophobicContact CD2-CG1 4.42Å |
| 97 | N | 96.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -29 | -176.8 | -89.2 | -3.8 | 0 | 0 | 0 | 113.3 | Y93 H94 R99 Q105 I106 S108 | Y93-N97 PolarHBondContact O-N 3.04Å; H94-N97 PolarHBondContact O-N 2.96Å; N97-R99 PolarHBondContact O-N 3.33Å; N97-Q105 HydrophobicContact CB-CG 4.28Å; N97-Q105 PolarHBondContact O-NE2 3.1Å; N97-I106 PolarHBondContact ND2-O 3.48Å; N97-I106 VanDerWaalsContact OD1-CG1 3.22Å; N97-I106 WeakPolarHBondContact OD1-CG1 3.41Å; N97-I106 PolarHBondContact OD1-N 3.2Å; N97-S108 PolarHBondContact ND2-OG 3.35Å |
| 98 | K | 94.8 | Very high | 95.5 | Very high | 137 Ų | 137 | 56.8 Ų | 56.8 | 60% | 0.596 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.9 | 169.4 | -81.4 | 171.4 | 170.1 | 163.4 | 0 | 114.6 | H94 L96 | H94-K98 PolarHBondContact CD2-NZ 3.14Å; H94-K98 WeakPolarHBondContact NE2-CE 3.45Å; H94-K98 PolarHBondContact NE2-NZ 3.29Å; H94-K98 WeakPolarHBondContact O-CG 3.38Å; H94-K98 PolarHBondContact O-N 3.1Å; H94-K98 VanDerWaalsContact O-N 3.11Å; L96-K98 PolarHBondContact O-N 3.44Å |
| 99 | R | 93.8 | Very high | 95.3 | Very high | 134 Ų | 134 | 62.5 Ų | 62.5 | 51% | 0.506 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -11.7 | -175.3 | -63.6 | -177.1 | -68.4 | 151.4 | 5.9 | 113.1 | D58 N61 N95 L96 N97 | D58-R99 IonicContact OD2-CZ 3.62Å; D58-R99 IonicContact OD2-NH1 3.41Å; D58-R99 PolarHBondContact OD2-NH1 3.3Å; D58-R99 IonicContact OD2-NH2 2.78Å; D58-R99 PolarHBondContact OD2-NH2 3.4Å; D58-R99 VanDerWaalsContact OD2-NH2 3.08Å; N61-R99 VanDerWaalsContact CG-NH2 3.31Å; N61-R99 PolarHBondContact ND2-NH2 2.85Å; N95-R99 PolarHBondContact O-NE 2.86Å; L96-R99 WeakPolarHBondContact O-CA 3.3Å; L96-R99 PolarHBondContact O-N 3.2Å; N97-R99 PolarHBondContact O-N 3.33Å |
| 100 | L | 93.6 | Very high | 95.1 | Very high | 30 Ų | 30 | 66 Ų | 66 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -88.3 | 142.4 | 174.9 | -66.6 | 176 | 0 | 0 | 0 | 110.1 | L56 L96 Q105 I106 | L56-L100 HydrophobicContact CD1-CD1 4.37Å; L96-L100 HydrophobicContact CD1-CD1 4.06Å; L96-L100 HydrophobicContact CD1-CD2 4.32Å; L96-L100 HydrophobicContact CD1-CG 4.06Å; L96-L100 HydrophobicContact CD2-CD1 4.15Å; L96-L100 HydrophobicContact CG-CD1 3.74Å; L96-L100 HydrophobicContact CG-CG 4.15Å; L96-L100 PolarHBondContact O-N 2.99Å; L100-Q105 HydrophobicContact CB-CG 4.48Å; L100-I106 HydrophobicContact CD1-CG2 4.49Å |
| 101 | P | 94.4 | Very high | 95 | Very high | 68 Ų | 68 | 64 Ų | 64 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | trans | -52.7 | 147.4 | 165.2 | -23.9 | 33.7 | 0 | 0 | 0 | 110.8 | S103 Q104 Q105 | P101-S103 PolarHBondContact O-N 2.91Å; P101-S103 VanDerWaalsContact O-N 3.15Å; P101-Q104 HydrophobicContact CB-CG 4.47Å; P101-Q104 CarbonylContact O-C 3.37Å; P101-Q104 WeakPolarHBondContact O-CA 3.4Å; P101-Q104 PolarHBondContact O-N 3.33Å; P101-Q105 PolarHBondContact O-N 3Å | ||
| 102 | V | 92.3 | Very high | 95 | Very high | 122 Ų | 122 | 63.8 Ų | 63.8 | 74% | 0.739 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -54.1 | -39.3 | -177.9 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | Q104 Q105 | V102-Q104 PolarHBondContact O-N 3.14Å; V102-Q104 VanDerWaalsContact O-N 3.15Å; V102-Q105 PolarHBondContact O-N 3.33Å |
| 103 | S | 93.6 | Very high | 94.8 | Very high | 115 Ų | 115 | 69.8 Ų | 69.8 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -66.5 | -8.7 | 176 | 56.2 | 0 | 0 | 0 | 0 | 115.5 | P101 | P101-S103 PolarHBondContact O-N 2.91Å; P101-S103 VanDerWaalsContact O-N 3.15Å |
| 104 | Q | 92.4 | Very high | 94.6 | Very high | 120 Ų | 120 | 71.1 Ų | 71.1 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -121.6 | 4.7 | -180 | -60.2 | -176.5 | 6.5 | 0 | 0 | 112.8 | P101 V102 | P101-Q104 HydrophobicContact CB-CG 4.47Å; P101-Q104 CarbonylContact O-C 3.37Å; P101-Q104 WeakPolarHBondContact O-CA 3.4Å; P101-Q104 PolarHBondContact O-N 3.33Å; V102-Q104 PolarHBondContact O-N 3.14Å; V102-Q104 VanDerWaalsContact O-N 3.15Å |
| 105 | Q | 93.2 | Very high | 94.6 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | trans | -62.5 | 141.3 | 177.4 | -75.1 | -177 | 1 | 0 | 0 | 111.4 | N97 L100 P101 V102 | N97-Q105 HydrophobicContact CB-CG 4.28Å; N97-Q105 PolarHBondContact O-NE2 3.1Å; L100-Q105 HydrophobicContact CB-CG 4.48Å; P101-Q105 PolarHBondContact O-N 3Å; V102-Q105 PolarHBondContact O-N 3.33Å | ||
| 106 | I | 94.9 | Very high | 94.6 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | trans | -95.4 | 150 | -179.2 | 59.3 | 160 | 0 | 0 | 0 | 111.2 | N53 L56 Y93 L96 N97 L100 S108 T111 | N53-I106 HydrophobicContact CB-CD1 3.81Å; N53-I106 HydrophobicContact CB-CG2 4.41Å; L56-I106 HydrophobicContact CD1-CG2 4.18Å; Y93-I106 HydrophobicContact CD1-CD1 3.55Å; Y93-I106 HydrophobicContact CE1-CD1 4.1Å; Y93-I106 HydrophobicContact CG-CD1 4.25Å; L96-I106 HydrophobicContact CD2-CD1 3.84Å; L96-I106 HydrophobicContact CD2-CG1 4.42Å; N97-I106 PolarHBondContact ND2-O 3.48Å; N97-I106 VanDerWaalsContact OD1-CG1 3.22Å; N97-I106 WeakPolarHBondContact OD1-CG1 3.41Å; N97-I106 PolarHBondContact OD1-N 3.2Å; L100-I106 HydrophobicContact CD1-CG2 4.49Å; I106-S108 PolarHBondContact O-N 3.4Å; I106-T111 HydrophobicContact CD1-CG2 4.12Å | ||
| 107 | D | 95.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 65.2 Ų | 65.2 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | trans | -64.7 | 100 | 164.1 | 179.3 | -8.1 | 0 | 0 | 0 | 108.7 | N109 L110 T111 | D107-N109 VanDerWaalsContact C-N 3.31Å; D107-N109 PolarHBondContact O-N 3.04Å; D107-N109 WeakPolarHBondContact OD1-CA 3.42Å; D107-N109 WeakPolarHBondContact OD1-CB 3.22Å; D107-N109 PolarHBondContact OD1-N 3.34Å; D107-L110 HydrophobicContact CB-CB 4.1Å; D107-L110 VanDerWaalsContact CG-CB 3.49Å; D107-L110 PolarHBondContact OD1-N 3.21Å; D107-L110 WeakPolarHBondContact OD2-CB 3.31Å; D107-T111 VanDerWaalsContact O-CB 3.28Å; D107-T111 WeakPolarHBondContact O-CB 3.45Å; D107-T111 PolarHBondContact O-N 3.39Å; D107-T111 PolarHBondContact O-OG1 3.33Å | ||
| 108 | S | 94 | Very high | 94.6 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 19% | 0.189 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 178.6 | -67.9 | 0 | 0 | 0 | 0 | 111.4 | N97 I106 T111 I112 | N97-S108 PolarHBondContact ND2-OG 3.35Å; I106-S108 PolarHBondContact O-N 3.4Å; S108-T111 PolarHBondContact O-N 2.86Å; S108-I112 VanDerWaalsContact O-CB 3.31Å; S108-I112 WeakPolarHBondContact O-CB 3.47Å; S108-I112 WeakPolarHBondContact O-CD1 3.36Å; S108-I112 WeakPolarHBondContact O-CG1 3.23Å; S108-I112 PolarHBondContact O-N 2.88Å |
| 109 | N | 94.4 | Very high | 94.6 | Very high | 120 Ų | 120 | 57.7 Ų | 57.7 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.8 | -42.9 | -176.2 | -68.6 | -44.7 | 0 | 0 | 0 | 111.8 | D107 R113 | D107-N109 VanDerWaalsContact C-N 3.31Å; D107-N109 PolarHBondContact O-N 3.04Å; D107-N109 WeakPolarHBondContact OD1-CA 3.42Å; D107-N109 WeakPolarHBondContact OD1-CB 3.22Å; D107-N109 PolarHBondContact OD1-N 3.34Å; N109-R113 WeakPolarHBondContact O-CG 3.44Å; N109-R113 PolarHBondContact O-N 3.49Å; N109-R113 PolarHBondContact O-NE 3.47Å |
| 110 | L | 93.9 | Very high | 94.7 | Very high | 73 Ų | 73 | 51.6 Ų | 51.6 | 38% | 0.382 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 172 | 178.8 | 61.8 | 0 | 0 | 0 | 111.2 | D107 I112 R113 L114 | D107-L110 HydrophobicContact CB-CB 4.1Å; D107-L110 VanDerWaalsContact CG-CB 3.49Å; D107-L110 PolarHBondContact OD1-N 3.21Å; D107-L110 WeakPolarHBondContact OD2-CB 3.31Å; L110-I112 PolarHBondContact O-N 2.97Å; L110-R113 PolarHBondContact O-N 3.16Å; L110-L114 HydrophobicContact CD1-CD1 4.01Å; L110-L114 HydrophobicContact CD1-CG 4.12Å; L110-L114 HydrophobicContact CG-CD1 3.95Å; L110-L114 HydrophobicContact CG-CG 4.44Å; L110-L114 WeakPolarHBondContact O-CG 3.32Å; L110-L114 PolarHBondContact O-N 2.72Å |
| 111 | T | 95.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | -177.8 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | A52 N53 Y93 I106 D107 S108 L114 L115 | A52-T111 WeakPolarHBondContact O-CG2 3.45Å; N53-T111 HydrophobicContact CB-CG2 3.91Å; N53-T111 PolarHBondContact ND2-OG1 3.42Å; Y93-T111 HydrophobicContact CD1-CG2 4.06Å; Y93-T111 HydrophobicContact CD2-CG2 4.32Å; Y93-T111 HydrophobicContact CE1-CG2 3.49Å; Y93-T111 VanDerWaalsContact CE1-CG2 3.49Å; Y93-T111 HydrophobicContact CE2-CG2 3.81Å; Y93-T111 HydrophobicContact CG-CG2 4.43Å; I106-T111 HydrophobicContact CD1-CG2 4.12Å; D107-T111 VanDerWaalsContact O-CB 3.28Å; D107-T111 WeakPolarHBondContact O-CB 3.45Å; D107-T111 PolarHBondContact O-N 3.39Å; D107-T111 PolarHBondContact O-OG1 3.33Å; S108-T111 PolarHBondContact O-N 2.86Å; T111-L114 PolarHBondContact O-N 3.02Å; T111-L115 WeakPolarHBondContact O-CB 3.47Å; T111-L115 PolarHBondContact O-N 3.23Å |
| 112 | I | 96.3 | Very high | 94.7 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 175.7 | -68.6 | 157.8 | 0 | 0 | 0 | 110.3 | L89 Y93 S108 L110 L115 N116 | L89-I112 HydrophobicContact CB-CG1 4.18Å; L89-I112 HydrophobicContact CB-CG2 4.1Å; L89-I112 HydrophobicContact CD1-CG2 4.38Å; Y93-I112 HydrophobicContact CD2-CG1 3.61Å; Y93-I112 HydrophobicContact CE2-CG1 4.2Å; S108-I112 VanDerWaalsContact O-CB 3.31Å; S108-I112 WeakPolarHBondContact O-CB 3.47Å; S108-I112 WeakPolarHBondContact O-CD1 3.36Å; S108-I112 WeakPolarHBondContact O-CG1 3.23Å; S108-I112 PolarHBondContact O-N 2.88Å; L110-I112 PolarHBondContact O-N 2.97Å; I112-L115 PolarHBondContact O-N 3.39Å; I112-N116 WeakPolarHBondContact O-CB 3.37Å; I112-N116 PolarHBondContact O-N 3.24Å |
| 113 | R | 94.2 | Very high | 94.9 | Very high | 127 Ų | 127 | 44.6 Ų | 44.6 | 48% | 0.479 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 178 | -74.8 | -174.2 | -64 | 140.9 | -6.8 | 112.7 | N109 L110 L115 N116 S117 | N109-R113 WeakPolarHBondContact O-CG 3.44Å; N109-R113 PolarHBondContact O-N 3.49Å; N109-R113 PolarHBondContact O-NE 3.47Å; L110-R113 PolarHBondContact O-N 3.16Å; R113-L115 PolarHBondContact O-N 2.91Å; R113-N116 PolarHBondContact O-N 2.82Å; R113-S117 WeakPolarHBondContact O-CB 3.28Å; R113-S117 PolarHBondContact O-N 2.99Å; R113-S117 PolarHBondContact O-OG 3.12Å; R113-S117 VanDerWaalsContact O-OG 3.13Å |
| 114 | L | 95.1 | Very high | 94.8 | Very high | 28 Ų | 28 | 40 Ų | 40 | 15% | 0.147 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -36.9 | 178.4 | -70.8 | 175.2 | 0 | 0 | 0 | 112.9 | L110 T111 S117 F118 | L110-L114 HydrophobicContact CD1-CD1 4.01Å; L110-L114 HydrophobicContact CD1-CG 4.12Å; L110-L114 HydrophobicContact CG-CD1 3.95Å; L110-L114 HydrophobicContact CG-CG 4.44Å; L110-L114 WeakPolarHBondContact O-CG 3.32Å; L110-L114 PolarHBondContact O-N 2.72Å; T111-L114 PolarHBondContact O-N 3.02Å; L114-S117 PolarHBondContact O-OG 3.42Å; L114-F118 PolarHBondContact O-N 3.23Å |
| 115 | L | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.3 | -40.5 | 175.7 | -178.9 | 53.6 | 0 | 0 | 0 | 112.1 | A52 L54 L89 Y93 T111 I112 R113 S117 F118 L119 L140 | A52-L115 HydrophobicContact CB-CB 4.2Å; A52-L115 HydrophobicContact CB-CD1 4.4Å; L54-L115 HydrophobicContact CD1-CD1 3.85Å; L54-L115 HydrophobicContact CD1-CD2 4.09Å; L54-L115 HydrophobicContact CD2-CD2 3.89Å; L54-L115 HydrophobicContact CG-CD2 4.17Å; L89-L115 HydrophobicContact CD1-CB 4.24Å; L89-L115 HydrophobicContact CD1-CD2 4.28Å; L89-L115 HydrophobicContact CD1-CG 4.06Å; L89-L115 HydrophobicContact CD2-CD2 3.64Å; L89-L115 HydrophobicContact CD2-CG 4.2Å; Y93-L115 HydrophobicContact CE2-CD2 4.05Å; Y93-L115 WeakPolarHBondContact OH-CD2 3.37Å; T111-L115 WeakPolarHBondContact O-CB 3.47Å; T111-L115 PolarHBondContact O-N 3.23Å; I112-L115 PolarHBondContact O-N 3.39Å; R113-L115 PolarHBondContact O-N 2.91Å; L115-S117 VanDerWaalsContact C-N 3.34Å; L115-S117 PolarHBondContact O-N 2.97Å; L115-F118 PolarHBondContact O-N 3.11Å; L115-L119 HydrophobicContact CD1-CD1 4.28Å; L115-L119 HydrophobicContact CD1-CG 4.1Å; L115-L119 HydrophobicContact CG-CD1 4.11Å; L115-L119 HydrophobicContact CG-CG 4.39Å; L115-L119 WeakPolarHBondContact O-CG 3.3Å; L115-L119 PolarHBondContact O-N 2.64Å; L115-L140 HydrophobicContact CD2-CD2 3.84Å |
| 116 | N | 95.2 | Very high | 93.6 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.1 | -166.2 | 40.1 | 0 | 0 | 0 | 110.8 | E86 L89 I112 R113 F118 L119 V120 | E86-N116 WeakPolarHBondContact CG-ND2 3.49Å; E86-N116 PolarHBondContact OE1-ND2 2.91Å; L89-N116 HydrophobicContact CD1-CB 4.1Å; I112-N116 WeakPolarHBondContact O-CB 3.37Å; I112-N116 PolarHBondContact O-N 3.24Å; R113-N116 PolarHBondContact O-N 2.82Å; N116-F118 PolarHBondContact O-N 3.18Å; N116-L119 PolarHBondContact O-N 3.27Å; N116-V120 WeakPolarHBondContact O-CB 3.43Å; N116-V120 WeakPolarHBondContact O-CG2 3.48Å; N116-V120 PolarHBondContact O-N 2.7Å |
| 117 | S | 95 | Very high | 92.9 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 176 | 64 | 0 | 0 | 0 | 0 | 113.3 | A15 R113 L114 L115 A121 | A15-S117 WeakPolarHBondContact O-CB 3.41Å; R113-S117 WeakPolarHBondContact O-CB 3.28Å; R113-S117 PolarHBondContact O-N 2.99Å; R113-S117 PolarHBondContact O-OG 3.12Å; R113-S117 VanDerWaalsContact O-OG 3.13Å; L114-S117 PolarHBondContact O-OG 3.42Å; L115-S117 VanDerWaalsContact C-N 3.34Å; L115-S117 PolarHBondContact O-N 2.97Å; S117-A121 WeakPolarHBondContact O-CB 3.45Å; S117-A121 PolarHBondContact O-N 3.06Å |
| 118 | F | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 172.5 | -177.6 | -96.3 | 0 | 0 | 0 | 112.6 | F19 L22 L45 V48 L114 L115 N116 A121 A122 L143 L181 V184 V185 | F19-F118 HydrophobicContact CE2-CD2 4.03Å; L22-F118 HydrophobicContact CD2-CB 4.35Å; L22-F118 HydrophobicContact CD2-CD2 4.28Å; L45-F118 HydrophobicContact CD2-CZ 4.32Å; V48-F118 HydrophobicContact CB-CE2 4.33Å; V48-F118 HydrophobicContact CG1-CD1 4.13Å; V48-F118 HydrophobicContact CG1-CD2 3.63Å; V48-F118 HydrophobicContact CG1-CE1 4.2Å; V48-F118 HydrophobicContact CG1-CE2 3.72Å; V48-F118 HydrophobicContact CG1-CG 3.85Å; V48-F118 HydrophobicContact CG1-CZ 4Å; V48-F118 HydrophobicContact CG2-CD2 4.15Å; V48-F118 HydrophobicContact CG2-CE2 3.9Å; L114-F118 PolarHBondContact O-N 3.23Å; L115-F118 PolarHBondContact O-N 3.11Å; N116-F118 PolarHBondContact O-N 3.18Å; F118-A121 PolarHBondContact O-N 3.04Å; F118-A122 PolarHBondContact O-N 3.5Å; F118-A122 VanDerWaalsContact O-N 3.09Å; F118-L143 HydrophobicContact CE1-CD1 3.8Å; F118-L143 HydrophobicContact CZ-CD1 4.48Å; F118-L181 HydrophobicContact CE1-CD2 3.88Å; F118-L181 HydrophobicContact CZ-CD2 4.23Å; F118-V184 HydrophobicContact CD2-CG1 4.39Å; F118-V184 HydrophobicContact CE1-CG1 4.29Å; F118-V184 HydrophobicContact CE2-CG1 3.49Å; F118-V184 VanDerWaalsContact CE2-CG1 3.49Å; F118-V184 HydrophobicContact CE2-CG2 4.38Å; F118-V184 HydrophobicContact CZ-CG1 3.43Å; F118-V184 VanDerWaalsContact CZ-CG1 3.43Å; F118-V185 HydrophobicContact CE2-CG1 4.04Å |
| 119 | L | 96.7 | Very high | 92 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 178.1 | -70.3 | 174.1 | 0 | 0 | 0 | 112.4 | I85 L89 L115 N116 A121 A122 Y123 V136 A139 | I85-L119 HydrophobicContact CG2-CD1 4.16Å; L89-L119 HydrophobicContact CD1-CD1 4.26Å; L89-L119 HydrophobicContact CD2-CD1 4.3Å; L115-L119 HydrophobicContact CD1-CD1 4.28Å; L115-L119 HydrophobicContact CD1-CG 4.1Å; L115-L119 HydrophobicContact CG-CD1 4.11Å; L115-L119 HydrophobicContact CG-CG 4.39Å; L115-L119 WeakPolarHBondContact O-CG 3.3Å; L115-L119 PolarHBondContact O-N 2.64Å; N116-L119 PolarHBondContact O-N 3.27Å; L119-A121 VanDerWaalsContact C-N 3.35Å; L119-A121 PolarHBondContact O-N 3.21Å; L119-A122 PolarHBondContact O-N 2.84Å; L119-Y123 HydrophobicContact CD2-CD2 4.04Å; L119-Y123 HydrophobicContact CD2-CE2 4.01Å; L119-Y123 WeakPolarHBondContact O-CB 3.25Å; L119-Y123 PolarHBondContact O-N 3.13Å; L119-V136 HydrophobicContact CD1-CG1 4.25Å; L119-A139 HydrophobicContact CD2-CB 3.73Å |
| 120 | V | 94.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.8 | -51.7 | 171.9 | 172 | 0 | 0 | 0 | 0 | 109.7 | A15 N116 A122 Y123 D124 F131 | A15-V120 HydrophobicContact CB-CB 4.11Å; A15-V120 HydrophobicContact CB-CG1 4.08Å; A15-V120 HydrophobicContact CB-CG2 3.9Å; N116-V120 WeakPolarHBondContact O-CB 3.43Å; N116-V120 WeakPolarHBondContact O-CG2 3.48Å; N116-V120 PolarHBondContact O-N 2.7Å; V120-A122 VanDerWaalsContact C-N 3.28Å; V120-A122 PolarHBondContact O-N 3.36Å; V120-Y123 PolarHBondContact O-N 3Å; V120-D124 HydrophobicContact CG1-CB 4.18Å; V120-D124 WeakPolarHBondContact O-CB 3.49Å; V120-D124 PolarHBondContact O-N 2.85Å; V120-F131 HydrophobicContact CB-CZ 4.25Å; V120-F131 HydrophobicContact CG2-CZ 3.67Å |
| 121 | A | 94 | Very high | 91.8 | Very high | 46 Ų | 46 | 41.5 Ų | 41.5 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.1 | -27.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F19 S117 F118 L119 V184 | F19-A121 HydrophobicContact CB-CB 4.44Å; F19-A121 HydrophobicContact CD1-CB 3.66Å; F19-A121 HydrophobicContact CD2-CB 3.66Å; F19-A121 HydrophobicContact CE1-CB 3.72Å; F19-A121 HydrophobicContact CE2-CB 3.73Å; F19-A121 HydrophobicContact CG-CB 3.63Å; F19-A121 HydrophobicContact CZ-CB 3.77Å; S117-A121 WeakPolarHBondContact O-CB 3.45Å; S117-A121 PolarHBondContact O-N 3.06Å; F118-A121 PolarHBondContact O-N 3.04Å; L119-A121 VanDerWaalsContact C-N 3.35Å; L119-A121 PolarHBondContact O-N 3.21Å; A121-V184 HydrophobicContact CB-CG2 3.73Å |
| 122 | A | 95.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -90.1 | -29.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F118 L119 V120 V184 | F118-A122 PolarHBondContact O-N 3.5Å; F118-A122 VanDerWaalsContact O-N 3.09Å; L119-A122 PolarHBondContact O-N 2.84Å; V120-A122 VanDerWaalsContact C-N 3.28Å; V120-A122 PolarHBondContact O-N 3.36Å; A122-V184 HydrophobicContact CB-CB 3.92Å; A122-V184 HydrophobicContact CB-CG1 3.83Å; A122-V184 HydrophobicContact CB-CG2 4.11Å |
| 123 | Y | 95.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -131.3 | -15.7 | -164.1 | -60.8 | -67 | 0 | 0 | 0 | 116.6 | L119 V120 R125 A139 E177 A180 L181 | L119-Y123 HydrophobicContact CD2-CD2 4.04Å; L119-Y123 HydrophobicContact CD2-CE2 4.01Å; L119-Y123 WeakPolarHBondContact O-CB 3.25Å; L119-Y123 PolarHBondContact O-N 3.13Å; V120-Y123 PolarHBondContact O-N 3Å; Y123-R125 PolarHBondContact O-N 3.01Å; Y123-A139 HydrophobicContact CE2-CB 3.58Å; Y123-E177 WeakPolarHBondContact CD1-OE2 3.16Å; Y123-E177 HydrophobicContact CE1-CB 4.32Å; Y123-E177 WeakPolarHBondContact CE1-O 3.5Å; Y123-E177 WeakPolarHBondContact CE1-OE2 3.47Å; Y123-E177 PolarHBondContact OH-O 3.19Å; Y123-A180 HydrophobicContact CD1-CB 4.22Å; Y123-A180 HydrophobicContact CE1-CB 3.55Å; Y123-L181 HydrophobicContact CE2-CD2 4.34Å; Y123-L181 WeakPolarHBondContact OH-CD2 3.22Å |
| 124 | D | 91.1 | Very high | 91.9 | Very high | 18 Ų | 18 | 37.4 Ų | 37.4 | 10% | 0.096 | 20% | 0.195 | C | C | . | . | trans | -82 | 67.4 | 174.3 | -168 | 8.8 | 0 | 0 | 0 | 110.8 | N12 V120 E126 D127 G128 G129 F131 | N12-D124 PolarHBondContact ND2-OD2 3.28Å; V120-D124 HydrophobicContact CG1-CB 4.18Å; V120-D124 WeakPolarHBondContact O-CB 3.49Å; V120-D124 PolarHBondContact O-N 2.85Å; D124-E126 PolarHBondContact O-N 3.37Å; D124-D127 PolarHBondContact O-N 3.01Å; D124-D127 PolarHBondContact OD1-N 2.86Å; D124-G128 PolarHBondContact OD1-N 2.86Å; D124-G128 PolarHBondContact OD2-N 3.3Å; D124-G129 PolarHBondContact OD1-N 3.42Å; D124-G129 VanDerWaalsContact OD2-CA 3.31Å; D124-G129 WeakPolarHBondContact OD2-CA 3.44Å; D124-G129 PolarHBondContact OD2-N 3.28Å; D124-F131 HydrophobicContact CB-CE1 4.03Å; D124-F131 HydrophobicContact CB-CZ 3.98Å | ||
| 125 | R | 80.1 | Confident | 92 | Very high | 159 Ų | 159 | 36.3 Ų | 36.3 | 60% | 0.6 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.2 | -170.1 | -63.7 | -177.8 | -176.2 | 156.2 | 9.4 | 114.1 | Y123 E177 | Y123-R125 PolarHBondContact O-N 3.01Å; R125-E177 IonicContact CZ-OE1 3.27Å; R125-E177 IonicContact NH1-OE1 2.97Å; R125-E177 IonicContact NH2-OE1 2.72Å; R125-E177 PolarHBondContact NH2-OE1 3.29Å; R125-E177 IonicContact NH2-OE2 2.7Å; R125-E177 PolarHBondContact NH2-OE2 2.95Å |
| 126 | E | 81.2 | Confident | 92.1 | Very high | 175 Ų | 175 | 36.3 Ų | 36.3 | 82% | 0.818 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105 | 3.8 | -177.1 | -59.3 | -171.8 | 166.3 | 0 | 0 | 112.8 | D124 G128 | D124-E126 PolarHBondContact O-N 3.37Å; E126-G128 PolarHBondContact O-N 2.91Å |
| 127 | D | 80.1 | Confident | 92.2 | Very high | 87 Ų | 87 | 36.7 Ų | 36.7 | 47% | 0.465 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 54.8 | 30.7 | -172.9 | -157.8 | 20.9 | 0 | 0 | 0 | 113 | N12 K16 D124 | N12-D127 PolarHBondContact ND2-O 3.14Å; N12-D127 PolarHBondContact ND2-OD1 3.36Å; K16-D127 WeakPolarHBondContact CE-OD1 3.42Å; K16-D127 IonicContact NZ-OD1 3.68Å; K16-D127 PolarHBondContact NZ-OD1 3.35Å; K16-D127 IonicContact NZ-OD2 3.4Å; K16-D127 PolarHBondContact NZ-OD2 2.75Å; D124-D127 PolarHBondContact O-N 3.01Å; D124-D127 PolarHBondContact OD1-N 2.86Å |
| 128 | G | 84.2 | Confident | 92.4 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 46% | 0.464 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -95.7 | -3.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D124 E126 K130 | D124-G128 PolarHBondContact OD1-N 2.86Å; D124-G128 PolarHBondContact OD2-N 3.3Å; E126-G128 PolarHBondContact O-N 2.91Å; G128-K130 VanDerWaalsContact C-N 3.3Å; G128-K130 PolarHBondContact O-N 2.99Å |
| 129 | G | 85.9 | Confident | 92.4 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 67.7 | 30.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K81 A82 D124 | K81-G129 CarbonylContact C-O 3.55Å; K81-G129 WeakPolarHBondContact CA-O 3.33Å; A82-G129 PolarHBondContact N-O 3.25Å; D124-G129 PolarHBondContact OD1-N 3.42Å; D124-G129 VanDerWaalsContact OD2-CA 3.31Å; D124-G129 WeakPolarHBondContact OD2-CA 3.44Å; D124-G129 PolarHBondContact OD2-N 3.28Å |
| 130 | K | 90.9 | Very high | 92.5 | Very high | 110 Ų | 110 | 36.6 Ų | 36.6 | 48% | 0.478 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.4 | -178.8 | -67.1 | -175.1 | -170.3 | 168.9 | 0 | 111.6 | E79 V80 G128 | E79-K130 HydrophobicContact CB-CD 4.49Å; E79-K130 VanDerWaalsContact OE2-CD 3.22Å; E79-K130 WeakPolarHBondContact OE2-CD 3.24Å; E79-K130 IonicContact OE2-NZ 2.65Å; V80-K130 WeakPolarHBondContact O-CA 3.14Å; G128-K130 VanDerWaalsContact C-N 3.3Å; G128-K130 PolarHBondContact O-N 2.99Å |
| 131 | F | 93.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.6 | -178.1 | -62.4 | -85.2 | 0 | 0 | 0 | 110.6 | E79 V80 A82 I85 V120 D124 V133 V136 | E79-F131 CarbonylContact C-O 3.58Å; E79-F131 VanDerWaalsContact CA-O 3.3Å; E79-F131 WeakPolarHBondContact CA-O 3.35Å; V80-F131 PolarHBondContact N-O 3.39Å; V80-F131 PolarHBondContact O-N 2.92Å; A82-F131 HydrophobicContact CB-CE2 3.88Å; I85-F131 HydrophobicContact CD1-CB 4.3Å; I85-F131 HydrophobicContact CG1-CB 4.03Å; I85-F131 HydrophobicContact CG1-CD2 3.77Å; I85-F131 HydrophobicContact CG1-CG 4.03Å; V120-F131 HydrophobicContact CB-CZ 4.25Å; V120-F131 HydrophobicContact CG2-CZ 3.67Å; D124-F131 HydrophobicContact CB-CE1 4.03Å; D124-F131 HydrophobicContact CB-CZ 3.98Å; F131-V133 PolarHBondContact O-N 2.96Å; F131-V136 HydrophobicContact CB-CG2 3.97Å; F131-V136 HydrophobicContact CD1-CG2 4.49Å; F131-V136 HydrophobicContact CG-CG2 4.45Å |
| 132 | Q | 95.2 | Very high | 93 | Very high | 55 Ų | 55 | 34.3 Ų | 34.3 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 128.3 | 162.8 | -68.9 | -176.6 | 21.8 | 0 | 0 | 108.9 | E79 F134 S135 V136 | E79-Q132 HydrophobicContact CG-CG 3.88Å; Q132-F134 PolarHBondContact O-N 3.04Å; Q132-S135 WeakPolarHBondContact O-CB 3.32Å; Q132-S135 PolarHBondContact O-N 3.38Å; Q132-S135 VanDerWaalsContact O-N 3.1Å; Q132-V136 PolarHBondContact O-N 3.08Å |
| 133 | V | 95.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.5 | -31.3 | -179.4 | 175.3 | 0 | 0 | 0 | 0 | 111 | F66 L71 L74 T78 V80 F131 V136 K137 | F66-V133 HydrophobicContact CD1-CG1 4.4Å; F66-V133 HydrophobicContact CE1-CG1 4.1Å; L71-V133 HydrophobicContact CB-CG1 4.12Å; L71-V133 HydrophobicContact CD2-CG2 4.41Å; L71-V133 WeakPolarHBondContact O-CG1 3.36Å; L74-V133 HydrophobicContact CD1-CG2 3.98Å; T78-V133 PolarHBondContact O-N 3.27Å; V80-V133 HydrophobicContact CB-CG2 4.36Å; V80-V133 HydrophobicContact CG1-CG2 3.68Å; V80-V133 HydrophobicContact CG2-CG2 3.77Å; F131-V133 PolarHBondContact O-N 2.96Å; V133-V136 PolarHBondContact O-N 3.25Å; V133-K137 HydrophobicContact CG1-CD 4.3Å; V133-K137 WeakPolarHBondContact O-CG 3.41Å; V133-K137 PolarHBondContact O-N 2.96Å |
| 134 | F | 97.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -47.3 | 173.6 | 177.9 | -109.4 | 0 | 0 | 0 | 113 | Y76 Q132 V136 K137 V138 L158 I159 E177 | Y76-F134 AromaticContact CD2-CD2 3.99Å; Y76-F134 HydrophobicContact CD2-CD2 3.99Å; Y76-F134 HydrophobicContact CD2-CE2 4.42Å; Y76-F134 HydrophobicContact CD2-CG 4.22Å; Y76-F134 HydrophobicContact CE2-CB 4.43Å; Y76-F134 AromaticContact CE2-CD1 3.98Å; Y76-F134 HydrophobicContact CE2-CD1 3.98Å; Y76-F134 AromaticContact CE2-CD2 3.37Å; Y76-F134 HydrophobicContact CE2-CD2 3.37Å; Y76-F134 HydrophobicContact CE2-CE1 4.05Å; Y76-F134 AromaticContact CE2-CE2 3.45Å; Y76-F134 HydrophobicContact CE2-CE2 3.45Å; Y76-F134 VanDerWaalsContact CE2-CE2 3.45Å; Y76-F134 AromaticContact CE2-CG 3.64Å; Y76-F134 HydrophobicContact CE2-CG 3.64Å; Y76-F134 AromaticContact CE2-CZ 3.79Å; Y76-F134 HydrophobicContact CE2-CZ 3.79Å; Y76-F134 AromaticContact CZ-CD1 3.8Å; Y76-F134 AromaticContact CZ-CE1 3.76Å; Y76-F134 AromaticContact CZ-CG 3.95Å; Y76-F134 AromaticContact CZ-CZ 3.86Å; Y76-F134 WeakPolarHBondContact O-CB 3.14Å; Y76-F134 WeakPolarHBondContact OH-CE1 3.44Å; Y76-F134 WeakPolarHBondContact OH-CZ 3.44Å; Q132-F134 PolarHBondContact O-N 3.04Å; F134-V136 VanDerWaalsContact C-N 3.3Å; F134-V136 PolarHBondContact O-N 3.09Å; F134-K137 WeakPolarHBondContact O-CB 3.49Å; F134-K137 PolarHBondContact O-N 3.22Å; F134-K137 VanDerWaalsContact O-N 3.14Å; F134-V138 HydrophobicContact CD1-CG2 4.35Å; F134-V138 HydrophobicContact CD2-CG2 4.18Å; F134-V138 HydrophobicContact CE1-CG2 3.86Å; F134-V138 HydrophobicContact CE2-CG2 3.68Å; F134-V138 HydrophobicContact CG-CG2 4.49Å; F134-V138 HydrophobicContact CZ-CG2 3.5Å; F134-V138 WeakPolarHBondContact O-CG2 3.35Å; F134-V138 PolarHBondContact O-N 3.31Å; F134-L158 HydrophobicContact CD2-CB 4.41Å; F134-L158 HydrophobicContact CD2-CD1 4.41Å; F134-L158 HydrophobicContact CE2-CB 3.97Å; F134-L158 HydrophobicContact CE2-CD1 4.25Å; F134-I159 HydrophobicContact CE2-CG2 4.18Å; F134-I159 HydrophobicContact CZ-CG2 4.11Å; F134-E177 HydrophobicContact CD1-CG 3.83Å; F134-E177 HydrophobicContact CE1-CB 4.29Å; F134-E177 HydrophobicContact CE1-CG 3.78Å |
| 135 | S | 97.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.8 | -44.6 | 177 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | Q132 V138 A139 E177 | Q132-S135 WeakPolarHBondContact O-CB 3.32Å; Q132-S135 PolarHBondContact O-N 3.38Å; Q132-S135 VanDerWaalsContact O-N 3.1Å; S135-V138 PolarHBondContact O-N 3.19Å; S135-A139 WeakPolarHBondContact O-CB 3.26Å; S135-A139 PolarHBondContact O-N 3.17Å; S135-E177 VanDerWaalsContact CB-OE2 3.32Å; S135-E177 WeakPolarHBondContact CB-OE2 3.19Å; S135-E177 PolarHBondContact OG-OE2 3.28Å |
| 136 | V | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | 178.7 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | F66 I85 L88 L119 F131 Q132 V133 F134 V138 A139 L140 | F66-V136 HydrophobicContact CZ-CB 4.35Å; F66-V136 HydrophobicContact CZ-CG1 4.07Å; I85-V136 HydrophobicContact CD1-CB 4.47Å; I85-V136 HydrophobicContact CD1-CG1 4.42Å; I85-V136 HydrophobicContact CD1-CG2 3.91Å; I85-V136 HydrophobicContact CG1-CG2 4.43Å; I85-V136 HydrophobicContact CG2-CG1 4.32Å; L88-V136 HydrophobicContact CD2-CG1 4.23Å; L119-V136 HydrophobicContact CD1-CG1 4.25Å; F131-V136 HydrophobicContact CB-CG2 3.97Å; F131-V136 HydrophobicContact CD1-CG2 4.49Å; F131-V136 HydrophobicContact CG-CG2 4.45Å; Q132-V136 PolarHBondContact O-N 3.08Å; V133-V136 PolarHBondContact O-N 3.25Å; F134-V136 VanDerWaalsContact C-N 3.3Å; F134-V136 PolarHBondContact O-N 3.09Å; V136-V138 PolarHBondContact O-N 3.45Å; V136-A139 PolarHBondContact O-N 3.25Å; V136-L140 HydrophobicContact CG1-CD1 3.79Å; V136-L140 HydrophobicContact CG1-CG 4.15Å; V136-L140 WeakPolarHBondContact O-CB 3.39Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.35Å; V136-L140 PolarHBondContact O-N 2.86Å |
| 137 | K | 98 | Very high | 95 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 172 | -75 | 173.1 | -179.3 | 165.2 | 0 | 111.3 | F66 L71 N72 V133 F134 A141 L158 | F66-K137 HydrophobicContact CD1-CD 4.47Å; F66-K137 HydrophobicContact CD1-CG 3.86Å; F66-K137 HydrophobicContact CD2-CG 4.1Å; F66-K137 HydrophobicContact CE1-CD 4.39Å; F66-K137 HydrophobicContact CE1-CG 3.45Å; F66-K137 VanDerWaalsContact CE1-CG 3.45Å; F66-K137 HydrophobicContact CE2-CB 4.32Å; F66-K137 HydrophobicContact CE2-CG 3.71Å; F66-K137 HydrophobicContact CG-CG 4.2Å; F66-K137 HydrophobicContact CZ-CB 4.07Å; F66-K137 HydrophobicContact CZ-CG 3.37Å; L71-K137 WeakPolarHBondContact O-CE 3.49Å; L71-K137 PolarHBondContact O-NZ 3.47Å; N72-K137 PolarHBondContact O-NZ 2.96Å; V133-K137 HydrophobicContact CG1-CD 4.3Å; V133-K137 WeakPolarHBondContact O-CG 3.41Å; V133-K137 PolarHBondContact O-N 2.96Å; F134-K137 WeakPolarHBondContact O-CB 3.49Å; F134-K137 PolarHBondContact O-N 3.22Å; F134-K137 VanDerWaalsContact O-N 3.14Å; K137-A141 WeakPolarHBondContact O-CB 3.3Å; K137-A141 PolarHBondContact O-N 3.49Å; K137-L158 HydrophobicContact CB-CD1 3.82Å; K137-L158 HydrophobicContact CD-CD1 4.26Å; K137-L158 HydrophobicContact CD-CD2 4.03Å |
| 138 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -48.1 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | F134 S135 V136 T142 I155 Y174 E177 V178 | F134-V138 HydrophobicContact CD1-CG2 4.35Å; F134-V138 HydrophobicContact CD2-CG2 4.18Å; F134-V138 HydrophobicContact CE1-CG2 3.86Å; F134-V138 HydrophobicContact CE2-CG2 3.68Å; F134-V138 HydrophobicContact CG-CG2 4.49Å; F134-V138 HydrophobicContact CZ-CG2 3.5Å; F134-V138 WeakPolarHBondContact O-CG2 3.35Å; F134-V138 PolarHBondContact O-N 3.31Å; S135-V138 PolarHBondContact O-N 3.19Å; V136-V138 PolarHBondContact O-N 3.45Å; V138-T142 VanDerWaalsContact O-CB 3.27Å; V138-T142 WeakPolarHBondContact O-CB 3.5Å; V138-T142 PolarHBondContact O-N 3.27Å; V138-T142 PolarHBondContact O-OG1 3.23Å; V138-I155 HydrophobicContact CG2-CD1 4.22Å; V138-Y174 HydrophobicContact CG1-CD2 3.94Å; V138-Y174 HydrophobicContact CG1-CE2 3.88Å; V138-Y174 HydrophobicContact CG2-CD2 3.9Å; V138-Y174 HydrophobicContact CG2-CE2 4.45Å; V138-E177 HydrophobicContact CB-CB 4.24Å; V138-E177 HydrophobicContact CG1-CB 4.11Å; V138-E177 HydrophobicContact CG2-CB 4.35Å; V138-V178 HydrophobicContact CG1-CB 3.87Å; V138-V178 HydrophobicContact CG1-CG2 4.29Å |
| 139 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60 | -52.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L119 Y123 S135 V136 T142 L143 L181 | L119-A139 HydrophobicContact CD2-CB 3.73Å; Y123-A139 HydrophobicContact CE2-CB 3.58Å; S135-A139 WeakPolarHBondContact O-CB 3.26Å; S135-A139 PolarHBondContact O-N 3.17Å; V136-A139 PolarHBondContact O-N 3.25Å; A139-T142 PolarHBondContact O-N 2.96Å; A139-L143 WeakPolarHBondContact O-CB 3.41Å; A139-L143 WeakPolarHBondContact O-CG 3.44Å; A139-L143 PolarHBondContact O-N 3.38Å; A139-L181 HydrophobicContact CB-CD2 4.23Å |
| 140 | L | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.4 | -42.7 | -177.8 | -63.8 | 178.6 | 0 | 0 | 0 | 111.8 | L54 V62 F66 L88 L89 I92 L115 V136 T142 L143 C144 | L54-L140 HydrophobicContact CD2-CD2 4.24Å; V62-L140 HydrophobicContact CG1-CB 3.8Å; V62-L140 HydrophobicContact CG2-CB 4.39Å; F66-L140 HydrophobicContact CE2-CD1 3.89Å; F66-L140 HydrophobicContact CZ-CD1 4.03Å; L88-L140 HydrophobicContact CD2-CD1 4.26Å; L89-L140 HydrophobicContact CD2-CD1 4.29Å; L89-L140 HydrophobicContact CD2-CD2 4.27Å; I92-L140 HydrophobicContact CD1-CD1 3.72Å; L115-L140 HydrophobicContact CD2-CD2 3.84Å; V136-L140 HydrophobicContact CG1-CD1 3.79Å; V136-L140 HydrophobicContact CG1-CG 4.15Å; V136-L140 WeakPolarHBondContact O-CB 3.39Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.35Å; V136-L140 PolarHBondContact O-N 2.86Å; L140-T142 VanDerWaalsContact C-N 3.33Å; L140-T142 PolarHBondContact O-N 3.47Å; L140-L143 PolarHBondContact O-N 3.11Å; L140-C144 WeakPolarHBondContact O-CB 3.38Å; L140-C144 PolarHBondContact O-N 2.72Å; L140-C144 PolarHBondContact O-SG 3.42Å; L140-C144 VanDerWaalsContact O-SG 3.42Å |
| 141 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I59 K137 C144 K151 Y154 I155 | I59-A141 HydrophobicContact CD1-CB 3.86Å; K137-A141 WeakPolarHBondContact O-CB 3.3Å; K137-A141 PolarHBondContact O-N 3.49Å; A141-C144 PolarHBondContact O-SG 3.41Å; A141-K151 WeakPolarHBondContact O-CD 3.45Å; A141-K151 VanDerWaalsContact O-CE 3.27Å; A141-K151 WeakPolarHBondContact O-CE 3.4Å; A141-K151 WeakPolarHBondContact O-CG 3.15Å; A141-K151 PolarHBondContact O-NZ 3.37Å; A141-Y154 HydrophobicContact CB-CD1 3.61Å; A141-Y154 HydrophobicContact CB-CE1 3.8Å; A141-I155 HydrophobicContact CB-CD1 3.99Å |
| 142 | T | 98.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.5 | -45.7 | 177.1 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | V138 A139 L140 K151 V178 L181 W228 L229 | V138-T142 VanDerWaalsContact O-CB 3.27Å; V138-T142 WeakPolarHBondContact O-CB 3.5Å; V138-T142 PolarHBondContact O-N 3.27Å; V138-T142 PolarHBondContact O-OG1 3.23Å; A139-T142 PolarHBondContact O-N 2.96Å; L140-T142 VanDerWaalsContact C-N 3.33Å; L140-T142 PolarHBondContact O-N 3.47Å; T142-K151 PolarHBondContact O-NZ 2.92Å; T142-V178 HydrophobicContact CG2-CG2 4.18Å; T142-L181 HydrophobicContact CG2-CD1 3.74Å; T142-W228 HydrophobicContact CG2-CH2 3.99Å; T142-W228 HydrophobicContact CG2-CZ3 4.29Å; T142-L229 HydrophobicContact CG2-CD1 3.75Å |
| 143 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -89.5 | -13.1 | -171.9 | -65.7 | 176.5 | 0 | 0 | 0 | 115.3 | L45 Q49 L54 F118 A139 L140 L181 F232 | L45-L143 HydrophobicContact CB-CD2 4.5Å; L45-L143 HydrophobicContact CD2-CD2 4.49Å; Q49-L143 VanDerWaalsContact CG-O 3.26Å; Q49-L143 WeakPolarHBondContact CG-O 3.32Å; Q49-L143 PolarHBondContact NE2-O 3.49Å; L54-L143 HydrophobicContact CD1-CB 3.66Å; L54-L143 HydrophobicContact CD1-CD1 4.24Å; F118-L143 HydrophobicContact CE1-CD1 3.8Å; F118-L143 HydrophobicContact CZ-CD1 4.48Å; A139-L143 WeakPolarHBondContact O-CB 3.41Å; A139-L143 WeakPolarHBondContact O-CG 3.44Å; A139-L143 PolarHBondContact O-N 3.38Å; L140-L143 PolarHBondContact O-N 3.11Å; L143-L181 HydrophobicContact CD1-CD2 4.17Å; L143-L181 HydrophobicContact CG-CD1 4.37Å; L143-F232 HydrophobicContact CD2-CE1 4.46Å; L143-F232 HydrophobicContact CD2-CZ 3.94Å |
| 144 | C | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -63.6 | 177.7 | 177.5 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | Q49 L54 V57 V62 L140 A141 K151 | Q49-C144 PolarHBondContact NE2-O 3.15Å; L54-C144 CarbonylContact O-C 3.27Å; L54-C144 WeakPolarHBondContact O-CA 3.27Å; V57-C144 CarbonylContact O-C 3.47Å; V57-C144 VanDerWaalsContact O-CB 3.27Å; V57-C144 WeakPolarHBondContact O-CB 3.18Å; V62-C144 HydrophobicContact CG2-CB 3.89Å; L140-C144 WeakPolarHBondContact O-CB 3.38Å; L140-C144 PolarHBondContact O-N 2.72Å; L140-C144 PolarHBondContact O-SG 3.42Å; L140-C144 VanDerWaalsContact O-SG 3.42Å; A141-C144 PolarHBondContact O-SG 3.41Å; C144-K151 VanDerWaalsContact O-CE 3.25Å; C144-K151 WeakPolarHBondContact O-CE 3.31Å; C144-K151 PolarHBondContact O-NZ 3.44Å; C144-K151 WeakPolarHBondContact SG-CE 3.4Å |
| 145 | A | 97.5 | Very high | 97.9 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -76.8 | 170.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L54 H55 V57 K151 | L54-A145 PolarHBondContact O-N 2.87Å; L54-A145 VanDerWaalsContact O-N 3.11Å; H55-A145 WeakPolarHBondContact O-CB 3.36Å; V57-A145 VanDerWaalsContact O-CB 3.3Å; V57-A145 WeakPolarHBondContact O-CB 3.49Å; V57-A145 PolarHBondContact O-N 3.06Å; A145-K151 WeakPolarHBondContact O-CE 3.37Å |
| 146 | G | 95.8 | Very high | 98 | Very high | 53 Ų | 53 | 26.6 Ų | 26.6 | 55% | 0.546 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 102.1 | -177.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H233 | G146-H233 PolarHBondContact O-CE1 3.31Å; G146-H233 VanDerWaalsContact O-CE1 3.23Å; G146-H233 PolarHBondContact O-ND1 3.25Å |
| 147 | K | 96.5 | Very high | 97.9 | Very high | 150 Ų | 150 | 29.9 Ų | 29.9 | 65% | 0.652 | 16% | 0.161 | S | C | * | . | trans | -73.9 | 139.8 | -174.7 | -57.4 | 173.5 | -173.9 | 163.8 | 0 | 110.5 | L149 D150 K151 | K147-L149 VanDerWaalsContact C-N 3.3Å; K147-L149 PolarHBondContact O-N 3.11Å; K147-D150 WeakPolarHBondContact CB-OD2 3.25Å; K147-D150 WeakPolarHBondContact CD-OD2 3.41Å; K147-D150 PolarHBondContact O-N 2.71Å; K147-K151 PolarHBondContact O-N 3.21Å | ||
| 148 | L | 97.2 | Very high | 97.9 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.8 | -41.4 | 178.3 | -179.9 | 52.7 | 0 | 0 | 0 | 112.2 | D150 K151 L152 M218 L229 P230 H233 | L148-D150 VanDerWaalsContact C-N 3.29Å; L148-D150 PolarHBondContact O-N 3.49Å; L148-K151 PolarHBondContact O-N 3.32Å; L148-L152 HydrophobicContact CD1-CD1 4Å; L148-L152 HydrophobicContact CD1-CD2 4.22Å; L148-L152 HydrophobicContact CD1-CG 3.77Å; L148-L152 HydrophobicContact CG-CD1 3.87Å; L148-L152 HydrophobicContact CG-CG 4.1Å; L148-L152 WeakPolarHBondContact O-CB 3.49Å; L148-L152 WeakPolarHBondContact O-CG 3.45Å; L148-L152 PolarHBondContact O-N 2.99Å; L148-M218 HydrophobicContact CD2-CE 4.3Å; L148-M218 HydrophobicContact CD2-SD 3.56Å; L148-M218 VanDerWaalsContact CD2-SD 3.56Å; L148-M218 HydrophobicContact CG-SD 3.91Å; L148-L229 HydrophobicContact CD1-CD1 4Å; L148-L229 HydrophobicContact CD1-CD2 4.41Å; L148-L229 HydrophobicContact CD1-CG 4.06Å; L148-P230 HydrophobicContact CD2-CB 4.2Å; L148-P230 HydrophobicContact CD2-CG 4.23Å; L148-H233 HydrophobicContact CB-CB 4.28Å; L148-H233 HydrophobicContact CD2-CB 4.39Å |
| 149 | L | 97.2 | Very high | 97.8 | Very high | 67 Ų | 67 | 30.4 Ų | 30.4 | 35% | 0.351 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.5 | -37.6 | 179 | -66.1 | 176 | 0 | 0 | 0 | 113.3 | K147 L152 R153 L214 M218 | K147-L149 VanDerWaalsContact C-N 3.3Å; K147-L149 PolarHBondContact O-N 3.11Å; L149-L152 PolarHBondContact O-N 2.96Å; L149-R153 WeakPolarHBondContact O-CG 3.35Å; L149-R153 PolarHBondContact O-N 2.67Å; L149-L214 HydrophobicContact CD2-CD2 4.04Å; L149-M218 HydrophobicContact CD2-CG 3.79Å; L149-M218 HydrophobicContact CD2-SD 4.17Å |
| 150 | D | 98 | Very high | 97.8 | Very high | 61 Ų | 61 | 31.4 Ų | 31.4 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -73.4 | -39.5 | -177.1 | -58 | -28.6 | 0 | 0 | 0 | 110.6 | K147 L148 R153 Y154 | K147-D150 WeakPolarHBondContact CB-OD2 3.25Å; K147-D150 WeakPolarHBondContact CD-OD2 3.41Å; K147-D150 PolarHBondContact O-N 2.71Å; L148-D150 VanDerWaalsContact C-N 3.29Å; L148-D150 PolarHBondContact O-N 3.49Å; D150-R153 PolarHBondContact O-N 3Å; D150-R153 IonicContact OD1-NH1 2.65Å; D150-R153 PolarHBondContact OD1-NH1 3.2Å; D150-Y154 PolarHBondContact O-N 2.89Å; D150-Y154 VanDerWaalsContact O-N 3.13Å |
| 151 | K | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 2% | 0.022 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 170.5 | -61.8 | 169.6 | 166.7 | -160.9 | 0 | 112.2 | I59 A141 T142 C144 A145 K147 L148 R153 Y154 I155 H233 | I59-K151 HydrophobicContact CD1-CG 4.39Å; A141-K151 WeakPolarHBondContact O-CD 3.45Å; A141-K151 VanDerWaalsContact O-CE 3.27Å; A141-K151 WeakPolarHBondContact O-CE 3.4Å; A141-K151 WeakPolarHBondContact O-CG 3.15Å; A141-K151 PolarHBondContact O-NZ 3.37Å; T142-K151 PolarHBondContact O-NZ 2.92Å; C144-K151 VanDerWaalsContact O-CE 3.25Å; C144-K151 WeakPolarHBondContact O-CE 3.31Å; C144-K151 PolarHBondContact O-NZ 3.44Å; C144-K151 WeakPolarHBondContact SG-CE 3.4Å; A145-K151 WeakPolarHBondContact O-CE 3.37Å; K147-K151 PolarHBondContact O-N 3.21Å; L148-K151 PolarHBondContact O-N 3.32Å; K151-R153 VanDerWaalsContact C-N 3.31Å; K151-R153 PolarHBondContact O-N 3.43Å; K151-Y154 WeakPolarHBondContact O-CB 3.39Å; K151-Y154 PolarHBondContact O-N 3.14Å; K151-Y154 VanDerWaalsContact O-N 3.13Å; K151-I155 WeakPolarHBondContact O-CG1 3.27Å; K151-I155 PolarHBondContact O-N 2.87Å; K151-H233 VanDerWaalsContact CD-CE1 3.49Å; K151-H233 WeakPolarHBondContact CD-CE1 3.28Å; K151-H233 WeakPolarHBondContact CD-NE2 3.19Å; K151-H233 VanDerWaalsContact CE-CE1 3.41Å; K151-H233 WeakPolarHBondContact CE-CE1 3.45Å; K151-H233 PolarHBondContact NZ-CE1 3.44Å; K151-H233 PolarHBondContact NZ-NE2 3.29Å |
| 152 | L | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -33.4 | 179.4 | -72.6 | -178.2 | 0 | 0 | 0 | 112 | L148 L149 I155 F156 F213 L214 L217 M218 | L148-L152 HydrophobicContact CD1-CD1 4Å; L148-L152 HydrophobicContact CD1-CD2 4.22Å; L148-L152 HydrophobicContact CD1-CG 3.77Å; L148-L152 HydrophobicContact CG-CD1 3.87Å; L148-L152 HydrophobicContact CG-CG 4.1Å; L148-L152 WeakPolarHBondContact O-CB 3.49Å; L148-L152 WeakPolarHBondContact O-CG 3.45Å; L148-L152 PolarHBondContact O-N 2.99Å; L149-L152 PolarHBondContact O-N 2.96Å; L152-I155 PolarHBondContact O-N 3.35Å; L152-F156 WeakPolarHBondContact O-CB 3.47Å; L152-F156 PolarHBondContact O-N 2.94Å; L152-F213 HydrophobicContact CB-CE1 4.13Å; L152-F213 HydrophobicContact CD2-CE1 4.33Å; L152-F213 HydrophobicContact CD2-CZ 4.49Å; L152-F213 WeakPolarHBondContact O-CE1 3.44Å; L152-L214 HydrophobicContact CB-CD2 3.39Å; L152-L214 HydrophobicContact CD1-CD2 4.03Å; L152-L214 HydrophobicContact CG-CD2 4.37Å; L152-L217 HydrophobicContact CD1-CB 4.08Å; L152-L217 HydrophobicContact CD1-CD2 4.27Å; L152-L217 HydrophobicContact CD2-CD2 3.67Å; L152-M218 HydrophobicContact CD1-CG 4.37Å; L152-M218 HydrophobicContact CD1-SD 4.09Å |
| 153 | R | 98.3 | Very high | 97.2 | Very high | 115 Ų | 115 | 43.7 Ų | 43.7 | 43% | 0.434 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 169.4 | -73 | 176.2 | -168.2 | 113.5 | 1.5 | 112.2 | L149 D150 K151 F156 S157 V210 L214 | L149-R153 WeakPolarHBondContact O-CG 3.35Å; L149-R153 PolarHBondContact O-N 2.67Å; D150-R153 PolarHBondContact O-N 3Å; D150-R153 IonicContact OD1-NH1 2.65Å; D150-R153 PolarHBondContact OD1-NH1 3.2Å; K151-R153 VanDerWaalsContact C-N 3.31Å; K151-R153 PolarHBondContact O-N 3.43Å; R153-F156 PolarHBondContact O-N 3.5Å; R153-S157 PolarHBondContact O-N 2.9Å; R153-S157 VanDerWaalsContact O-N 3.07Å; R153-V210 HydrophobicContact CG-CG2 4.26Å; R153-L214 HydrophobicContact CG-CD1 4.04Å |
| 154 | Y | 98.2 | Very high | 97 | Very high | 27 Ų | 27 | 46.6 Ų | 46.6 | 11% | 0.106 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 172.8 | 173.9 | -110.1 | 0 | 0 | 0 | 111.5 | I59 I63 A141 D150 K151 F156 S157 L158 | I59-Y154 HydrophobicContact CD1-CD1 3.94Å; I59-Y154 HydrophobicContact CD1-CG 4.29Å; I63-Y154 HydrophobicContact CD1-CD2 3.64Å; I63-Y154 HydrophobicContact CD1-CE2 4.09Å; I63-Y154 HydrophobicContact CD1-CG 4.08Å; I63-Y154 HydrophobicContact CG1-CD2 3.68Å; I63-Y154 HydrophobicContact CG1-CE2 3.59Å; I63-Y154 HydrophobicContact CG1-CG 4.22Å; A141-Y154 HydrophobicContact CB-CD1 3.61Å; A141-Y154 HydrophobicContact CB-CE1 3.8Å; D150-Y154 PolarHBondContact O-N 2.89Å; D150-Y154 VanDerWaalsContact O-N 3.13Å; K151-Y154 WeakPolarHBondContact O-CB 3.39Å; K151-Y154 PolarHBondContact O-N 3.14Å; K151-Y154 VanDerWaalsContact O-N 3.13Å; Y154-F156 VanDerWaalsContact C-N 3.32Å; Y154-F156 PolarHBondContact O-N 2.87Å; Y154-S157 WeakPolarHBondContact O-CB 3.41Å; Y154-S157 PolarHBondContact O-N 2.89Å; Y154-S157 VanDerWaalsContact O-N 3.09Å; Y154-S157 PolarHBondContact O-OG 2.9Å; Y154-L158 HydrophobicContact CD1-CD1 4.39Å; Y154-L158 HydrophobicContact CE1-CD1 3.81Å; Y154-L158 HydrophobicContact CE1-CG 4.39Å; Y154-L158 HydrophobicContact CE2-CD2 4.1Å; Y154-L158 HydrophobicContact CE2-CG 4.47Å; Y154-L158 PolarHBondContact O-N 2.88Å |
| 155 | I | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55 | -46.5 | 173.7 | -67.4 | -58.1 | 0 | 0 | 0 | 111.3 | V138 A141 K151 L152 S157 L158 I159 Y174 F213 | V138-I155 HydrophobicContact CG2-CD1 4.22Å; A141-I155 HydrophobicContact CB-CD1 3.99Å; K151-I155 WeakPolarHBondContact O-CG1 3.27Å; K151-I155 PolarHBondContact O-N 2.87Å; L152-I155 PolarHBondContact O-N 3.35Å; I155-S157 VanDerWaalsContact C-N 3.27Å; I155-S157 PolarHBondContact O-N 3.49Å; I155-L158 HydrophobicContact CD1-CD1 4.34Å; I155-L158 WeakPolarHBondContact O-CB 3.43Å; I155-L158 PolarHBondContact O-N 2.96Å; I155-I159 HydrophobicContact CG2-CD1 4.44Å; I155-I159 PolarHBondContact O-N 3.09Å; I155-Y174 HydrophobicContact CB-CE2 4.4Å; I155-Y174 HydrophobicContact CD1-CD2 4.41Å; I155-Y174 HydrophobicContact CD1-CE2 3.98Å; I155-Y174 HydrophobicContact CG1-CE2 4.08Å; I155-Y174 HydrophobicContact CG2-CD1 4.34Å; I155-Y174 HydrophobicContact CG2-CD2 3.62Å; I155-Y174 HydrophobicContact CG2-CE1 4.18Å; I155-Y174 HydrophobicContact CG2-CE2 3.44Å; I155-Y174 VanDerWaalsContact CG2-CE2 3.44Å; I155-Y174 HydrophobicContact CG2-CG 4.08Å; I155-F213 HydrophobicContact CG2-CZ 4.14Å |
| 156 | F | 98.3 | Very high | 97 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.053 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.5 | -42.6 | 177.3 | -171.2 | -93.3 | 0 | 0 | 0 | 111.6 | L152 R153 Y154 L158 I159 S160 A164 L166 V210 F213 | L152-F156 WeakPolarHBondContact O-CB 3.47Å; L152-F156 PolarHBondContact O-N 2.94Å; R153-F156 PolarHBondContact O-N 3.5Å; Y154-F156 VanDerWaalsContact C-N 3.32Å; Y154-F156 PolarHBondContact O-N 2.87Å; F156-L158 PolarHBondContact O-N 3.14Å; F156-I159 CarbonylContact O-C 3.57Å; F156-I159 PolarHBondContact O-N 2.66Å; F156-I159 VanDerWaalsContact O-N 3.09Å; F156-S160 WeakPolarHBondContact O-CB 3.12Å; F156-S160 PolarHBondContact O-N 2.91Å; F156-A164 WeakPolarHBondContact CE1-O 3.27Å; F156-A164 WeakPolarHBondContact CZ-O 3.43Å; F156-L166 HydrophobicContact CE2-CB 4.02Å; F156-L166 HydrophobicContact CE2-CD1 4.32Å; F156-L166 HydrophobicContact CZ-CB 4.47Å; F156-V210 HydrophobicContact CB-CG2 4.19Å; F156-V210 HydrophobicContact CD1-CB 3.75Å; F156-V210 HydrophobicContact CD1-CG2 3.85Å; F156-V210 HydrophobicContact CD2-CB 4.43Å; F156-V210 HydrophobicContact CD2-CG2 4.46Å; F156-V210 HydrophobicContact CE1-CB 3.75Å; F156-V210 HydrophobicContact CE1-CG2 4.38Å; F156-V210 HydrophobicContact CE2-CB 4.41Å; F156-V210 HydrophobicContact CG-CB 4.11Å; F156-V210 HydrophobicContact CG-CG2 3.9Å; F156-V210 HydrophobicContact CZ-CB 4.1Å; F156-V210 VanDerWaalsContact CZ-N 3.34Å; F156-F213 HydrophobicContact CB-CD1 4.04Å; F156-F213 HydrophobicContact CB-CE1 4.12Å; F156-F213 HydrophobicContact CD2-CB 3.61Å; F156-F213 AromaticContact CD2-CD1 3.68Å; F156-F213 HydrophobicContact CD2-CD1 3.68Å; F156-F213 HydrophobicContact CD2-CD2 4.15Å; F156-F213 HydrophobicContact CD2-CE1 4.36Å; F156-F213 AromaticContact CD2-CG 3.55Å; F156-F213 HydrophobicContact CD2-CG 3.55Å; F156-F213 HydrophobicContact CE2-CB 3.75Å; F156-F213 HydrophobicContact CE2-CG 4.15Å; F156-F213 HydrophobicContact CG-CD1 4.28Å |
| 157 | S | 97.1 | Very high | 97 | Very high | 69 Ų | 69 | 48 Ų | 48 | 48% | 0.483 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.8 | -20.3 | 176.6 | 77 | 0 | 0 | 0 | 0 | 114.7 | R153 Y154 I155 | R153-S157 PolarHBondContact O-N 2.9Å; R153-S157 VanDerWaalsContact O-N 3.07Å; Y154-S157 WeakPolarHBondContact O-CB 3.41Å; Y154-S157 PolarHBondContact O-N 2.89Å; Y154-S157 VanDerWaalsContact O-N 3.09Å; Y154-S157 PolarHBondContact O-OG 2.9Å; I155-S157 VanDerWaalsContact C-N 3.27Å; I155-S157 PolarHBondContact O-N 3.49Å |
| 158 | L | 97.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -83.1 | -28.5 | 173 | -56.1 | 179.5 | 0 | 0 | 0 | 112.6 | F134 K137 Y154 I155 F156 | F134-L158 HydrophobicContact CD2-CB 4.41Å; F134-L158 HydrophobicContact CD2-CD1 4.41Å; F134-L158 HydrophobicContact CE2-CB 3.97Å; F134-L158 HydrophobicContact CE2-CD1 4.25Å; K137-L158 HydrophobicContact CB-CD1 3.82Å; K137-L158 HydrophobicContact CD-CD1 4.26Å; K137-L158 HydrophobicContact CD-CD2 4.03Å; Y154-L158 HydrophobicContact CD1-CD1 4.39Å; Y154-L158 HydrophobicContact CE1-CD1 3.81Å; Y154-L158 HydrophobicContact CE1-CG 4.39Å; Y154-L158 HydrophobicContact CE2-CD2 4.1Å; Y154-L158 HydrophobicContact CE2-CG 4.47Å; Y154-L158 PolarHBondContact O-N 2.88Å; I155-L158 HydrophobicContact CD1-CD1 4.34Å; I155-L158 WeakPolarHBondContact O-CB 3.43Å; I155-L158 PolarHBondContact O-N 2.96Å; F156-L158 PolarHBondContact O-N 3.14Å |
| 159 | I | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -107.1 | -1 | -174 | 67.7 | 173.9 | 0 | 0 | 0 | 114.3 | F134 I155 F156 L166 D167 K170 F171 F213 | F134-I159 HydrophobicContact CE2-CG2 4.18Å; F134-I159 HydrophobicContact CZ-CG2 4.11Å; I155-I159 HydrophobicContact CG2-CD1 4.44Å; I155-I159 PolarHBondContact O-N 3.09Å; F156-I159 CarbonylContact O-C 3.57Å; F156-I159 PolarHBondContact O-N 2.66Å; F156-I159 VanDerWaalsContact O-N 3.09Å; I159-L166 HydrophobicContact CD1-CD1 3.82Å; I159-L166 HydrophobicContact CD1-CG 4.38Å; I159-D167 WeakPolarHBondContact O-CB 3.36Å; I159-D167 PolarHBondContact O-N 3.48Å; I159-K170 HydrophobicContact CB-CB 3.8Å; I159-K170 HydrophobicContact CG2-CB 4Å; I159-K170 WeakPolarHBondContact CG2-O 3.34Å; I159-F171 HydrophobicContact CD1-CB 4.22Å; I159-F171 HydrophobicContact CD1-CD2 3.84Å; I159-F171 HydrophobicContact CD1-CG 4.48Å; I159-F213 HydrophobicContact CD1-CD2 4.4Å; I159-F213 HydrophobicContact CD1-CE2 3.76Å; I159-F213 HydrophobicContact CD1-CZ 4.1Å |
| 160 | S | 96.7 | Very high | 96.7 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -83.8 | 165.8 | 173.5 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | F156 V165 K170 | F156-S160 WeakPolarHBondContact O-CB 3.12Å; F156-S160 PolarHBondContact O-N 2.91Å; S160-V165 CarbonylContact C-O 3.46Å; S160-V165 WeakPolarHBondContact CA-O 3.36Å; S160-V165 WeakPolarHBondContact CB-O 3.43Å; S160-K170 PolarHBondContact O-NZ 3.35Å |
| 161 | D | 94.4 | Very high | 96.7 | Very high | 65 Ų | 65 | 44.3 Ų | 44.3 | 35% | 0.348 | 26% | 0.26 | S | S | . | . | trans | -84.8 | -176.3 | 163.3 | 78.1 | -13.4 | 0 | 0 | 0 | 111.3 | S163 A164 V165 | D161-S163 PolarHBondContact O-N 3.5Å; D161-S163 VanDerWaalsContact OD1-C 3.32Å; D161-S163 VanDerWaalsContact OD1-CA 3.25Å; D161-S163 WeakPolarHBondContact OD1-CA 3.32Å; D161-S163 VanDerWaalsContact OD1-CB 3.24Å; D161-S163 WeakPolarHBondContact OD1-CB 3.41Å; D161-S163 PolarHBondContact OD1-N 3.31Å; D161-S163 WeakPolarHBondContact OD2-CB 3.41Å; D161-S163 PolarHBondContact OD2-OG 2.71Å; D161-A164 PolarHBondContact O-N 3Å; D161-A164 PolarHBondContact OD1-N 2.62Å; D161-A164 VanDerWaalsContact OD1-N 3.12Å; D161-V165 PolarHBondContact N-O 2.7Å; D161-V165 PolarHBondContact OD1-N 3Å | ||
| 162 | A | 93.7 | Very high | 96.6 | Very high | 113 Ų | 113 | 44.7 Ų | 44.7 | 93% | 0.934 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A164 | A162-A164 VanDerWaalsContact C-N 3.34Š|
| 163 | S | 95.2 | Very high | 96.5 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 62% | 0.615 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.8 | 176.7 | -34.8 | 0 | 0 | 0 | 0 | 112.6 | D161 V165 | D161-S163 PolarHBondContact O-N 3.5Å; D161-S163 VanDerWaalsContact OD1-C 3.32Å; D161-S163 VanDerWaalsContact OD1-CA 3.25Å; D161-S163 WeakPolarHBondContact OD1-CA 3.32Å; D161-S163 VanDerWaalsContact OD1-CB 3.24Å; D161-S163 WeakPolarHBondContact OD1-CB 3.41Å; D161-S163 PolarHBondContact OD1-N 3.31Å; D161-S163 WeakPolarHBondContact OD2-CB 3.41Å; D161-S163 PolarHBondContact OD2-OG 2.71Å; S163-V165 PolarHBondContact O-N 3.49Å |
| 164 | A | 95.7 | Very high | 96.5 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 50% | 0.504 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 58.3 | 28.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F156 D161 A162 | F156-A164 WeakPolarHBondContact CE1-O 3.27Å; F156-A164 WeakPolarHBondContact CZ-O 3.43Å; D161-A164 PolarHBondContact O-N 3Å; D161-A164 PolarHBondContact OD1-N 2.62Å; D161-A164 VanDerWaalsContact OD1-N 3.12Å; A162-A164 VanDerWaalsContact C-N 3.34Å |
| 165 | V | 97.1 | Very high | 96.5 | Very high | 39 Ų | 39 | 39 Ų | 39 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | trans | -100.3 | 140.7 | 170.1 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | S160 D161 S163 D167 K207 | S160-V165 CarbonylContact C-O 3.46Å; S160-V165 WeakPolarHBondContact CA-O 3.36Å; S160-V165 WeakPolarHBondContact CB-O 3.43Å; D161-V165 PolarHBondContact N-O 2.7Å; D161-V165 PolarHBondContact OD1-N 3Å; S163-V165 PolarHBondContact O-N 3.49Å; V165-D167 PolarHBondContact O-N 3.43Å; V165-K207 HydrophobicContact CG1-CB 4.15Å; V165-K207 HydrophobicContact CG1-CG 4.44Å | ||
| 166 | L | 97.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -60.5 | 127.2 | 177 | -178.1 | 140.4 | 0 | 0 | 0 | 111.8 | F156 I159 F168 F171 F202 I208 F213 | F156-L166 HydrophobicContact CE2-CB 4.02Å; F156-L166 HydrophobicContact CE2-CD1 4.32Å; F156-L166 HydrophobicContact CZ-CB 4.47Å; I159-L166 HydrophobicContact CD1-CD1 3.82Å; I159-L166 HydrophobicContact CD1-CG 4.38Å; L166-F168 HydrophobicContact CD2-CD2 4.46Å; L166-F171 HydrophobicContact CD1-CB 4.08Å; L166-F171 HydrophobicContact CD1-CD2 4.15Å; L166-F171 HydrophobicContact CD1-CG 4.05Å; L166-F171 HydrophobicContact CD2-CB 3.73Å; L166-F171 HydrophobicContact CD2-CD1 4.39Å; L166-F171 HydrophobicContact CD2-CG 4.17Å; L166-F171 HydrophobicContact CG-CB 4.06Å; L166-F202 HydrophobicContact CD1-CD2 4.44Å; L166-F202 HydrophobicContact CD1-CE2 4.15Å; L166-I208 HydrophobicContact CB-CB 3.92Å; L166-I208 HydrophobicContact CB-CG2 4.33Å; L166-I208 HydrophobicContact CD1-CG2 4.33Å; L166-I208 PolarHBondContact N-O 2.87Å; L166-F213 HydrophobicContact CD1-CD2 3.72Å; L166-F213 HydrophobicContact CD1-CE2 4.26Å |
| 167 | D | 95.7 | Very high | 96.4 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | trans | -82 | 115.7 | 166.5 | 179.1 | -25.1 | 0 | 0 | 0 | 108.5 | I159 V165 N169 K170 F171 | I159-D167 WeakPolarHBondContact O-CB 3.36Å; I159-D167 PolarHBondContact O-N 3.48Å; V165-D167 PolarHBondContact O-N 3.43Å; D167-N169 PolarHBondContact O-N 2.95Å; D167-N169 WeakPolarHBondContact OD1-CB 3.32Å; D167-N169 PolarHBondContact OD1-N 2.91Å; D167-K170 HydrophobicContact CB-CB 4.07Å; D167-K170 HydrophobicContact CB-CD 3.87Å; D167-K170 HydrophobicContact CB-CG 3.87Å; D167-K170 PolarHBondContact O-N 3.02Å; D167-K170 PolarHBondContact OD1-N 3.09Å; D167-K170 VanDerWaalsContact OD2-CE 3.32Å; D167-K170 WeakPolarHBondContact OD2-CE 3.26Å; D167-F171 PolarHBondContact O-N 3.3Å | ||
| 168 | F | 95 | Very high | 96.4 | Very high | 48 Ų | 48 | 38 Ų | 38 | 21% | 0.211 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -29 | -174.8 | -161.7 | -91.2 | 0 | 0 | 0 | 112.9 | L166 S172 P198 K199 F202 | L166-F168 HydrophobicContact CD2-CD2 4.46Å; F168-S172 PolarHBondContact O-N 2.97Å; F168-P198 HydrophobicContact CE1-CB 3.79Å; F168-P198 HydrophobicContact CE2-CB 4.29Å; F168-P198 HydrophobicContact CZ-CB 3.54Å; F168-K199 HydrophobicContact CZ-CG 4.13Å; F168-F202 HydrophobicContact CE2-CB 4.47Å |
| 169 | N | 94.3 | Very high | 96.5 | Very high | 119 Ų | 119 | 36.8 Ų | 36.8 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -72.4 | -44.2 | 176 | -60.9 | -57.2 | 0 | 0 | 0 | 110.5 | D167 F171 S172 D173 | D167-N169 PolarHBondContact O-N 2.95Å; D167-N169 WeakPolarHBondContact OD1-CB 3.32Å; D167-N169 PolarHBondContact OD1-N 2.91Å; N169-F171 VanDerWaalsContact C-N 3.25Å; N169-F171 PolarHBondContact O-N 3.48Å; N169-S172 WeakPolarHBondContact O-CB 3.35Å; N169-S172 PolarHBondContact O-N 3.04Å; N169-D173 PolarHBondContact O-N 3.26Å |
| 170 | K | 96.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 21% | 0.213 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -30.8 | 174.7 | -60.7 | -177.6 | -163.5 | 175 | 0 | 112.3 | Y76 I159 S160 D167 Y174 | Y76-K170 HydrophobicContact CD1-CG 4.38Å; Y76-K170 HydrophobicContact CD2-CD 4.17Å; Y76-K170 HydrophobicContact CD2-CG 4.3Å; Y76-K170 HydrophobicContact CE1-CB 4.43Å; Y76-K170 HydrophobicContact CE1-CG 4.04Å; Y76-K170 HydrophobicContact CE2-CB 4.06Å; Y76-K170 HydrophobicContact CE2-CD 4.1Å; Y76-K170 HydrophobicContact CE2-CG 3.93Å; Y76-K170 WeakPolarHBondContact OH-CA 3.37Å; Y76-K170 PolarHBondContact OH-O 3.4Å; Y76-K170 VanDerWaalsContact OH-O 3.09Å; I159-K170 HydrophobicContact CB-CB 3.8Å; I159-K170 HydrophobicContact CG2-CB 4Å; I159-K170 WeakPolarHBondContact CG2-O 3.34Å; S160-K170 PolarHBondContact O-NZ 3.35Å; D167-K170 HydrophobicContact CB-CB 4.07Å; D167-K170 HydrophobicContact CB-CD 3.87Å; D167-K170 HydrophobicContact CB-CG 3.87Å; D167-K170 PolarHBondContact O-N 3.02Å; D167-K170 PolarHBondContact OD1-N 3.09Å; D167-K170 VanDerWaalsContact OD2-CE 3.32Å; D167-K170 WeakPolarHBondContact OD2-CE 3.26Å; K170-Y174 WeakPolarHBondContact O-CB 3.14Å; K170-Y174 PolarHBondContact O-N 2.98Å |
| 171 | F | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.1 | -40.9 | 172.9 | 179 | -119.3 | 0 | 0 | 0 | 112.7 | I159 L166 D167 N169 D173 Y174 L175 P198 F201 F202 F213 | I159-F171 HydrophobicContact CD1-CB 4.22Å; I159-F171 HydrophobicContact CD1-CD2 3.84Å; I159-F171 HydrophobicContact CD1-CG 4.48Å; L166-F171 HydrophobicContact CD1-CB 4.08Å; L166-F171 HydrophobicContact CD1-CD2 4.15Å; L166-F171 HydrophobicContact CD1-CG 4.05Å; L166-F171 HydrophobicContact CD2-CB 3.73Å; L166-F171 HydrophobicContact CD2-CD1 4.39Å; L166-F171 HydrophobicContact CD2-CG 4.17Å; L166-F171 HydrophobicContact CG-CB 4.06Å; D167-F171 PolarHBondContact O-N 3.3Å; N169-F171 VanDerWaalsContact C-N 3.25Å; N169-F171 PolarHBondContact O-N 3.48Å; F171-D173 VanDerWaalsContact C-N 3.34Å; F171-Y174 AromaticContact CD2-CD1 3.96Å; F171-Y174 HydrophobicContact CD2-CD1 3.96Å; F171-Y174 HydrophobicContact CE2-CD1 4.02Å; F171-Y174 HydrophobicContact CE2-CE1 4.44Å; F171-Y174 WeakPolarHBondContact O-CB 3.17Å; F171-Y174 PolarHBondContact O-N 3.32Å; F171-L175 HydrophobicContact CD1-CD1 4.39Å; F171-L175 HydrophobicContact CE1-CD1 3.83Å; F171-L175 HydrophobicContact CE1-CG 4.49Å; F171-L175 HydrophobicContact CE2-CD1 4.27Å; F171-L175 HydrophobicContact CE2-CD2 4.23Å; F171-L175 HydrophobicContact CE2-CG 4.09Å; F171-L175 HydrophobicContact CZ-CD1 3.75Å; F171-L175 HydrophobicContact CZ-CD2 4.25Å; F171-L175 HydrophobicContact CZ-CG 4.07Å; F171-L175 WeakPolarHBondContact O-CG 3.46Å; F171-L175 PolarHBondContact O-N 3.17Å; F171-P198 HydrophobicContact CD1-CB 4.18Å; F171-P198 HydrophobicContact CE1-CB 4.18Å; F171-F201 HydrophobicContact CE1-CB 4Å; F171-F201 HydrophobicContact CE1-CD2 4.15Å; F171-F201 HydrophobicContact CE1-CG 4.25Å; F171-F201 HydrophobicContact CZ-CB 3.9Å; F171-F201 HydrophobicContact CZ-CD1 4.35Å; F171-F201 AromaticContact CZ-CD2 3.79Å; F171-F201 HydrophobicContact CZ-CD2 3.79Å; F171-F201 HydrophobicContact CZ-CE2 4.41Å; F171-F201 AromaticContact CZ-CG 3.77Å; F171-F201 HydrophobicContact CZ-CG 3.77Å; F171-F202 HydrophobicContact CD1-CD2 4.04Å; F171-F202 HydrophobicContact CD1-CE2 4.32Å; F171-F202 AromaticContact CE1-CD2 3.6Å; F171-F202 HydrophobicContact CE1-CD2 3.6Å; F171-F202 AromaticContact CE1-CE2 3.74Å; F171-F202 HydrophobicContact CE1-CE2 3.74Å; F171-F202 HydrophobicContact CE2-CE2 4.12Å; F171-F202 HydrophobicContact CZ-CD2 4Å; F171-F202 AromaticContact CZ-CE2 3.64Å; F171-F202 HydrophobicContact CZ-CE2 3.64Å; F171-F213 HydrophobicContact CD2-CE2 4.1Å; F171-F213 AromaticContact CE2-CE2 3.89Å; F171-F213 HydrophobicContact CE2-CE2 3.89Å |
| 172 | S | 96.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 169.9 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | F168 N169 L175 K176 Y193 | F168-S172 PolarHBondContact O-N 2.97Å; N169-S172 WeakPolarHBondContact O-CB 3.35Å; N169-S172 PolarHBondContact O-N 3.04Å; S172-L175 PolarHBondContact O-N 3.28Å; S172-K176 WeakPolarHBondContact O-CG 3.4Å; S172-K176 PolarHBondContact O-N 3.21Å; S172-K176 VanDerWaalsContact O-N 3.12Å; S172-K176 WeakPolarHBondContact OG-CE 3.33Å; S172-K176 PolarHBondContact OG-NZ 3.41Å; S172-Y193 PolarHBondContact OG-OH 2.78Å |
| 173 | D | 96.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | 177.1 | -75.7 | -10.6 | 0 | 0 | 0 | 111.4 | Y76 K77 N169 F171 L175 K176 E177 | Y76-D173 HydrophobicContact CE1-CB 4.14Å; Y76-D173 WeakPolarHBondContact OH-CB 3.25Å; K77-D173 VanDerWaalsContact CE-OD2 3.31Å; K77-D173 WeakPolarHBondContact CE-OD2 3.11Å; K77-D173 IonicContact NZ-OD2 2.73Å; K77-D173 PolarHBondContact NZ-OD2 2.98Å; N169-D173 PolarHBondContact O-N 3.26Å; F171-D173 VanDerWaalsContact C-N 3.34Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.11Å; D173-K176 WeakPolarHBondContact O-CB 3.31Å; D173-K176 PolarHBondContact O-N 2.87Å; D173-K176 VanDerWaalsContact O-N 3.16Å; D173-K176 IonicContact OD1-NZ 2.71Å; D173-K176 PolarHBondContact OD1-NZ 2.88Å; D173-E177 WeakPolarHBondContact O-CG 3.41Å; D173-E177 PolarHBondContact O-N 2.94Å |
| 174 | Y | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.2 | -45.8 | 169.4 | 166.2 | -110.6 | 0 | 0 | 0 | 112.7 | V138 I155 K170 F171 K176 E177 V178 L217 | V138-Y174 HydrophobicContact CG1-CD2 3.94Å; V138-Y174 HydrophobicContact CG1-CE2 3.88Å; V138-Y174 HydrophobicContact CG2-CD2 3.9Å; V138-Y174 HydrophobicContact CG2-CE2 4.45Å; I155-Y174 HydrophobicContact CB-CE2 4.4Å; I155-Y174 HydrophobicContact CD1-CD2 4.41Å; I155-Y174 HydrophobicContact CD1-CE2 3.98Å; I155-Y174 HydrophobicContact CG1-CE2 4.08Å; I155-Y174 HydrophobicContact CG2-CD1 4.34Å; I155-Y174 HydrophobicContact CG2-CD2 3.62Å; I155-Y174 HydrophobicContact CG2-CE1 4.18Å; I155-Y174 HydrophobicContact CG2-CE2 3.44Å; I155-Y174 VanDerWaalsContact CG2-CE2 3.44Å; I155-Y174 HydrophobicContact CG2-CG 4.08Å; K170-Y174 WeakPolarHBondContact O-CB 3.14Å; K170-Y174 PolarHBondContact O-N 2.98Å; F171-Y174 AromaticContact CD2-CD1 3.96Å; F171-Y174 HydrophobicContact CD2-CD1 3.96Å; F171-Y174 HydrophobicContact CE2-CD1 4.02Å; F171-Y174 HydrophobicContact CE2-CE1 4.44Å; F171-Y174 WeakPolarHBondContact O-CB 3.17Å; F171-Y174 PolarHBondContact O-N 3.32Å; Y174-K176 VanDerWaalsContact C-N 3.3Å; Y174-K176 PolarHBondContact O-N 3.39Å; Y174-E177 PolarHBondContact O-N 2.89Å; Y174-V178 HydrophobicContact CD2-CB 4.37Å; Y174-V178 HydrophobicContact CE1-CG1 4.21Å; Y174-V178 HydrophobicContact CE2-CB 3.85Å; Y174-V178 HydrophobicContact CE2-CG1 4.23Å; Y174-V178 HydrophobicContact CE2-CG2 4.17Å; Y174-V178 WeakPolarHBondContact O-CG1 3.42Å; Y174-V178 PolarHBondContact O-N 3.3Å; Y174-L217 HydrophobicContact CE1-CD2 4.49Å |
| 175 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 178.7 | -71.9 | 176.8 | 0 | 0 | 0 | 111.4 | F171 S172 D173 L179 Y193 A197 P198 F201 L226 | F171-L175 HydrophobicContact CD1-CD1 4.39Å; F171-L175 HydrophobicContact CE1-CD1 3.83Å; F171-L175 HydrophobicContact CE1-CG 4.49Å; F171-L175 HydrophobicContact CE2-CD1 4.27Å; F171-L175 HydrophobicContact CE2-CD2 4.23Å; F171-L175 HydrophobicContact CE2-CG 4.09Å; F171-L175 HydrophobicContact CZ-CD1 3.75Å; F171-L175 HydrophobicContact CZ-CD2 4.25Å; F171-L175 HydrophobicContact CZ-CG 4.07Å; F171-L175 WeakPolarHBondContact O-CG 3.46Å; F171-L175 PolarHBondContact O-N 3.17Å; S172-L175 PolarHBondContact O-N 3.28Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.11Å; L175-L179 WeakPolarHBondContact O-CB 3.3Å; L175-L179 VanDerWaalsContact O-CD1 3.31Å; L175-L179 WeakPolarHBondContact O-CD1 3.11Å; L175-L179 WeakPolarHBondContact O-CG 3.38Å; L175-L179 PolarHBondContact O-N 2.88Å; L175-L179 VanDerWaalsContact O-N 3.09Å; L175-Y193 HydrophobicContact CB-CD2 3.85Å; L175-Y193 HydrophobicContact CB-CE2 3.98Å; L175-A197 HydrophobicContact CD1-CB 4.4Å; L175-P198 HydrophobicContact CD1-CB 4.21Å; L175-P198 HydrophobicContact CD1-CG 3.97Å; L175-F201 HydrophobicContact CD1-CD2 4.32Å; L175-F201 HydrophobicContact CD1-CE2 4.18Å; L175-F201 HydrophobicContact CD2-CE2 4.17Å; L175-F201 HydrophobicContact CD2-CZ 4.46Å; L175-L226 HydrophobicContact CD2-CD1 3.82Å; L175-L226 HydrophobicContact CD2-CD2 4.32Å; L175-L226 HydrophobicContact CD2-CG 4.2Å |
| 176 | K | 97.2 | Very high | 96.9 | Very high | 56 Ų | 56 | 27.7 Ų | 27.7 | 24% | 0.243 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 172.8 | -63.5 | 165.3 | -157.9 | 158.4 | 0 | 111.3 | S172 D173 Y174 L179 A180 Y193 | S172-K176 WeakPolarHBondContact O-CG 3.4Å; S172-K176 PolarHBondContact O-N 3.21Å; S172-K176 VanDerWaalsContact O-N 3.12Å; S172-K176 WeakPolarHBondContact OG-CE 3.33Å; S172-K176 PolarHBondContact OG-NZ 3.41Å; D173-K176 WeakPolarHBondContact O-CB 3.31Å; D173-K176 PolarHBondContact O-N 2.87Å; D173-K176 VanDerWaalsContact O-N 3.16Å; D173-K176 IonicContact OD1-NZ 2.71Å; D173-K176 PolarHBondContact OD1-NZ 2.88Å; Y174-K176 VanDerWaalsContact C-N 3.3Å; Y174-K176 PolarHBondContact O-N 3.39Å; K176-L179 PolarHBondContact O-N 2.72Å; K176-A180 PolarHBondContact O-N 2.97Å; K176-A180 VanDerWaalsContact O-N 3.15Å; K176-Y193 HydrophobicContact CB-CD2 4.45Å; K176-Y193 HydrophobicContact CD-CE1 4.38Å; K176-Y193 VanDerWaalsContact CE-CZ 3.44Å; K176-Y193 HydrophobicContact CG-CD1 3.85Å; K176-Y193 HydrophobicContact CG-CD2 3.59Å; K176-Y193 HydrophobicContact CG-CE1 4Å; K176-Y193 HydrophobicContact CG-CE2 3.74Å; K176-Y193 HydrophobicContact CG-CG 3.66Å |
| 177 | E | 97.7 | Very high | 96.9 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.028 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.1 | -35 | -175.4 | -59.1 | -40.5 | 118.8 | 0 | 0 | 113.6 | Y123 R125 F134 S135 V138 D173 Y174 A180 | Y123-E177 WeakPolarHBondContact CD1-OE2 3.16Å; Y123-E177 HydrophobicContact CE1-CB 4.32Å; Y123-E177 WeakPolarHBondContact CE1-O 3.5Å; Y123-E177 WeakPolarHBondContact CE1-OE2 3.47Å; Y123-E177 PolarHBondContact OH-O 3.19Å; R125-E177 IonicContact CZ-OE1 3.27Å; R125-E177 IonicContact NH1-OE1 2.97Å; R125-E177 IonicContact NH2-OE1 2.72Å; R125-E177 PolarHBondContact NH2-OE1 3.29Å; R125-E177 IonicContact NH2-OE2 2.7Å; R125-E177 PolarHBondContact NH2-OE2 2.95Å; F134-E177 HydrophobicContact CD1-CG 3.83Å; F134-E177 HydrophobicContact CE1-CB 4.29Å; F134-E177 HydrophobicContact CE1-CG 3.78Å; S135-E177 VanDerWaalsContact CB-OE2 3.32Å; S135-E177 WeakPolarHBondContact CB-OE2 3.19Å; S135-E177 PolarHBondContact OG-OE2 3.28Å; V138-E177 HydrophobicContact CB-CB 4.24Å; V138-E177 HydrophobicContact CG1-CB 4.11Å; V138-E177 HydrophobicContact CG2-CB 4.35Å; D173-E177 WeakPolarHBondContact O-CG 3.41Å; D173-E177 PolarHBondContact O-N 2.94Å; Y174-E177 PolarHBondContact O-N 2.89Å; E177-A180 WeakPolarHBondContact O-CB 3.42Å |
| 178 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -76.5 | -31.4 | 176.5 | 79.2 | 0 | 0 | 0 | 0 | 112 | V138 T142 Y174 A180 L181 P182 L226 W228 | V138-V178 HydrophobicContact CG1-CB 3.87Å; V138-V178 HydrophobicContact CG1-CG2 4.29Å; T142-V178 HydrophobicContact CG2-CG2 4.18Å; Y174-V178 HydrophobicContact CD2-CB 4.37Å; Y174-V178 HydrophobicContact CE1-CG1 4.21Å; Y174-V178 HydrophobicContact CE2-CB 3.85Å; Y174-V178 HydrophobicContact CE2-CG1 4.23Å; Y174-V178 HydrophobicContact CE2-CG2 4.17Å; Y174-V178 WeakPolarHBondContact O-CG1 3.42Å; Y174-V178 PolarHBondContact O-N 3.3Å; V178-A180 VanDerWaalsContact C-N 3.29Å; V178-A180 PolarHBondContact O-N 3.07Å; V178-L181 HydrophobicContact CG2-CD1 4.41Å; V178-L181 WeakPolarHBondContact O-CB 3.07Å; V178-L181 PolarHBondContact O-N 3.48Å; V178-P182 VanDerWaalsContact O-CD 3.32Å; V178-P182 WeakPolarHBondContact O-CD 3.42Å; V178-L226 HydrophobicContact CG1-CD2 3.76Å; V178-W228 HydrophobicContact CG2-CH2 4.14Å; V178-W228 HydrophobicContact CG2-CZ2 4.14Å |
| 179 | L | 98 | Very high | 96.6 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -78.5 | -10.1 | 175.4 | -65 | 170.1 | 0 | 0 | 0 | 113.1 | L175 K176 L181 P182 C183 F191 Y193 C225 L226 | L175-L179 WeakPolarHBondContact O-CB 3.3Å; L175-L179 VanDerWaalsContact O-CD1 3.31Å; L175-L179 WeakPolarHBondContact O-CD1 3.11Å; L175-L179 WeakPolarHBondContact O-CG 3.38Å; L175-L179 PolarHBondContact O-N 2.88Å; L175-L179 VanDerWaalsContact O-N 3.09Å; K176-L179 PolarHBondContact O-N 2.72Å; L179-L181 PolarHBondContact O-N 3.15Å; L179-P182 HydrophobicContact CD2-CG 4.21Å; L179-P182 VanDerWaalsContact O-CD 3.3Å; L179-P182 WeakPolarHBondContact O-CD 3.31Å; L179-P182 VanDerWaalsContact O-CG 3.29Å; L179-P182 WeakPolarHBondContact O-CG 3.48Å; L179-C183 PolarHBondContact O-N 2.85Å; L179-C183 PolarHBondContact O-SG 2.77Å; L179-F191 HydrophobicContact CD2-CB 4.42Å; L179-Y193 HydrophobicContact CD1-CD2 4.49Å; L179-C225 HydrophobicContact CD1-CB 4.14Å; L179-C225 HydrophobicContact CD2-CB 4.21Å; L179-C225 VanDerWaalsContact CD2-O 3.26Å; L179-C225 WeakPolarHBondContact CD2-O 3.49Å; L179-L226 HydrophobicContact CD2-CD2 4.04Å |
| 180 | A | 97.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 27 Ų | 27 | 10% | 0.099 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -31 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y123 K176 E177 V178 C183 V184 | Y123-A180 HydrophobicContact CD1-CB 4.22Å; Y123-A180 HydrophobicContact CE1-CB 3.55Å; K176-A180 PolarHBondContact O-N 2.97Å; K176-A180 VanDerWaalsContact O-N 3.15Å; E177-A180 WeakPolarHBondContact O-CB 3.42Å; V178-A180 VanDerWaalsContact C-N 3.29Å; V178-A180 PolarHBondContact O-N 3.07Å; A180-C183 WeakPolarHBondContact O-CB 3.26Å; A180-C183 PolarHBondContact O-N 2.98Å; A180-V184 WeakPolarHBondContact O-CG1 3.36Å; A180-V184 PolarHBondContact O-N 3.21Å |
| 181 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.6 | -51.2 | -179.4 | -59.3 | 175.9 | 0 | 0 | 0 | 113.8 | L45 F118 Y123 A139 T142 L143 V178 L179 C183 V184 W228 | L45-L181 HydrophobicContact CD1-CB 4.48Å; L45-L181 HydrophobicContact CD2-CB 4.22Å; F118-L181 HydrophobicContact CE1-CD2 3.88Å; F118-L181 HydrophobicContact CZ-CD2 4.23Å; Y123-L181 HydrophobicContact CE2-CD2 4.34Å; Y123-L181 WeakPolarHBondContact OH-CD2 3.22Å; A139-L181 HydrophobicContact CB-CD2 4.23Å; T142-L181 HydrophobicContact CG2-CD1 3.74Å; L143-L181 HydrophobicContact CD1-CD2 4.17Å; L143-L181 HydrophobicContact CG-CD1 4.37Å; V178-L181 HydrophobicContact CG2-CD1 4.41Å; V178-L181 WeakPolarHBondContact O-CB 3.07Å; V178-L181 PolarHBondContact O-N 3.48Å; L179-L181 PolarHBondContact O-N 3.15Å; L181-C183 VanDerWaalsContact C-N 3.32Å; L181-V184 VanDerWaalsContact O-CG1 3.22Å; L181-V184 WeakPolarHBondContact O-CG1 3.35Å; L181-W228 HydrophobicContact CB-CH2 4.39Å; L181-W228 HydrophobicContact CD1-CH2 4.28Å |
| 182 | P | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.4 | -33.6 | 171 | 25.1 | -34.3 | 0 | 0 | 0 | 112.6 | T41 V178 L179 V185 F186 E187 F191 W228 | T41-P182 HydrophobicContact CG2-CB 3.71Å; V178-P182 VanDerWaalsContact O-CD 3.32Å; V178-P182 WeakPolarHBondContact O-CD 3.42Å; L179-P182 HydrophobicContact CD2-CG 4.21Å; L179-P182 VanDerWaalsContact O-CD 3.3Å; L179-P182 WeakPolarHBondContact O-CD 3.31Å; L179-P182 VanDerWaalsContact O-CG 3.29Å; L179-P182 WeakPolarHBondContact O-CG 3.48Å; P182-V185 WeakPolarHBondContact O-CG2 3.29Å; P182-V185 PolarHBondContact O-N 2.83Å; P182-F186 PolarHBondContact O-N 3.38Å; P182-E187 HydrophobicContact CB-CB 4.16Å; P182-E187 WeakPolarHBondContact O-CA 3.29Å; P182-E187 WeakPolarHBondContact O-CB 3.38Å; P182-E187 PolarHBondContact O-N 3.03Å; P182-F191 HydrophobicContact CB-CB 3.78Å; P182-F191 HydrophobicContact CB-CD2 4.48Å; P182-F191 HydrophobicContact CB-CG 4.5Å; P182-F191 HydrophobicContact CG-CB 3.76Å; P182-W228 HydrophobicContact CG-CZ2 4.25Å |
| 183 | C | 96.5 | Very high | 96.2 | Very high | 56 Ų | 56 | 29.4 Ų | 29.4 | 38% | 0.378 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.3 | -48 | 176 | -73.7 | 0 | 0 | 0 | 0 | 112.7 | L179 A180 L181 V185 F186 G188 | L179-C183 PolarHBondContact O-N 2.85Å; L179-C183 PolarHBondContact O-SG 2.77Å; A180-C183 WeakPolarHBondContact O-CB 3.26Å; A180-C183 PolarHBondContact O-N 2.98Å; L181-C183 VanDerWaalsContact C-N 3.32Å; C183-V185 VanDerWaalsContact C-N 3.26Å; C183-V185 PolarHBondContact O-N 2.64Å; C183-F186 WeakPolarHBondContact O-CA 3.4Å; C183-F186 PolarHBondContact O-N 2.68Å; C183-G188 WeakPolarHBondContact SG-CA 3.3Å |
| 184 | V | 95.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.3 | -23.1 | -178.1 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | F19 F118 A121 A122 A180 L181 F186 | F19-V184 HydrophobicContact CE1-CG2 4.42Å; F19-V184 HydrophobicContact CE2-CG2 3.72Å; F19-V184 HydrophobicContact CZ-CG2 3.49Å; F19-V184 VanDerWaalsContact CZ-CG2 3.49Å; F118-V184 HydrophobicContact CD2-CG1 4.39Å; F118-V184 HydrophobicContact CE1-CG1 4.29Å; F118-V184 HydrophobicContact CE2-CG1 3.49Å; F118-V184 VanDerWaalsContact CE2-CG1 3.49Å; F118-V184 HydrophobicContact CE2-CG2 4.38Å; F118-V184 HydrophobicContact CZ-CG1 3.43Å; F118-V184 VanDerWaalsContact CZ-CG1 3.43Å; A121-V184 HydrophobicContact CB-CG2 3.73Å; A122-V184 HydrophobicContact CB-CB 3.92Å; A122-V184 HydrophobicContact CB-CG1 3.83Å; A122-V184 HydrophobicContact CB-CG2 4.11Å; A180-V184 WeakPolarHBondContact O-CG1 3.36Å; A180-V184 PolarHBondContact O-N 3.21Å; L181-V184 VanDerWaalsContact O-CG1 3.22Å; L181-V184 WeakPolarHBondContact O-CG1 3.35Å; V184-F186 VanDerWaalsContact C-N 3.31Å |
| 185 | V | 96.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 18.3 | 170.6 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | M26 K44 L45 V48 F118 P182 C183 E187 | M26-V185 HydrophobicContact CE-CB 4.3Å; M26-V185 HydrophobicContact CE-CG1 4.49Å; M26-V185 HydrophobicContact SD-CB 4.42Å; M26-V185 HydrophobicContact SD-CG1 4.31Å; K44-V185 HydrophobicContact CB-CB 3.95Å; K44-V185 HydrophobicContact CB-CG1 4.34Å; K44-V185 HydrophobicContact CB-CG2 3.96Å; K44-V185 HydrophobicContact CD-CB 4.1Å; K44-V185 HydrophobicContact CD-CG2 4.22Å; K44-V185 VanDerWaalsContact CD-O 3.31Å; K44-V185 WeakPolarHBondContact CD-O 3.5Å; K44-V185 PolarHBondContact NZ-O 2.92Å; K44-V185 VanDerWaalsContact NZ-O 3.15Å; L45-V185 HydrophobicContact CD2-CG1 3.9Å; L45-V185 HydrophobicContact CD2-CG2 4.13Å; L45-V185 HydrophobicContact CG-CG2 4.24Å; V48-V185 HydrophobicContact CG2-CG1 4.26Å; F118-V185 HydrophobicContact CE2-CG1 4.04Å; P182-V185 WeakPolarHBondContact O-CG2 3.29Å; P182-V185 PolarHBondContact O-N 2.83Å; C183-V185 VanDerWaalsContact C-N 3.26Å; C183-V185 PolarHBondContact O-N 2.64Å; V185-E187 HydrophobicContact CG2-CG 4.15Å |
| 186 | F | 96 | Very high | 95.6 | Very high | 110 Ų | 110 | 40.5 Ų | 40.5 | 48% | 0.482 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 29.9 | 176.3 | -46.8 | -80.9 | 0 | 0 | 0 | 115.3 | V23 P182 C183 V184 | V23-F186 HydrophobicContact CB-CE2 4.49Å; V23-F186 HydrophobicContact CG1-CE2 3.71Å; V23-F186 HydrophobicContact CG1-CZ 4.27Å; V23-F186 HydrophobicContact CG2-CE2 3.86Å; V23-F186 HydrophobicContact CG2-CZ 4.35Å; P182-F186 PolarHBondContact O-N 3.38Å; C183-F186 WeakPolarHBondContact O-CA 3.4Å; C183-F186 PolarHBondContact O-N 2.68Å; V184-F186 VanDerWaalsContact C-N 3.31Å |
| 187 | E | 97.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 2% | 0.023 | 22% | 0.221 | C | C | . | . | trans | -108.6 | 3.6 | 176 | -59.5 | -67.1 | 156.1 | 0 | 0 | 113.3 | R40 T41 K44 P182 V185 P189 T190 F191 | R40-E187 VanDerWaalsContact CD-OE1 3.24Å; R40-E187 WeakPolarHBondContact CD-OE1 3.48Å; R40-E187 VanDerWaalsContact CG-OE1 3.29Å; R40-E187 WeakPolarHBondContact CG-OE1 3.46Å; R40-E187 IonicContact CZ-OE1 2.74Å; R40-E187 IonicContact CZ-OE2 2.7Å; R40-E187 VanDerWaalsContact CZ-OE2 3.27Å; R40-E187 IonicContact NE-OE1 3.59Å; R40-E187 PolarHBondContact NE-OE1 3.34Å; R40-E187 IonicContact NE-OE2 2.81Å; R40-E187 PolarHBondContact NE-OE2 3.3Å; R40-E187 IonicContact NH2-OE1 3.41Å; R40-E187 IonicContact NH2-OE2 3.65Å; R40-E187 PolarHBondContact NH2-OE2 2.79Å; T41-E187 HydrophobicContact CG2-CB 4.35Å; T41-E187 HydrophobicContact CG2-CG 4.39Å; T41-E187 WeakPolarHBondContact OG1-CB 3.4Å; T41-E187 VanDerWaalsContact OG1-CG 3.28Å; T41-E187 WeakPolarHBondContact OG1-CG 3.46Å; K44-E187 HydrophobicContact CD-CG 4.2Å; K44-E187 WeakPolarHBondContact CE-OE1 3.47Å; K44-E187 IonicContact NZ-OE1 3.69Å; K44-E187 PolarHBondContact NZ-OE1 2.87Å; P182-E187 HydrophobicContact CB-CB 4.16Å; P182-E187 WeakPolarHBondContact O-CA 3.29Å; P182-E187 WeakPolarHBondContact O-CB 3.38Å; P182-E187 PolarHBondContact O-N 3.03Å; V185-E187 HydrophobicContact CG2-CG 4.15Å; E187-P189 VanDerWaalsContact C-N 3.32Å; E187-T190 PolarHBondContact O-N 3.04Å; E187-F191 HydrophobicContact CB-CD2 4.25Å; E187-F191 PolarHBondContact O-N 3.14Å | ||
| 188 | G | 91.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -35.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | C183 T190 F191 S192 | C183-G188 WeakPolarHBondContact SG-CA 3.3Å; G188-T190 PolarHBondContact O-N 3.48Å; G188-T190 VanDerWaalsContact O-N 3.12Å; G188-F191 CarbonylContact O-C 3.59Å; G188-F191 PolarHBondContact O-N 3.45Å; G188-S192 WeakPolarHBondContact O-CB 3.42Å; G188-S192 PolarHBondContact O-N 3.39Å; G188-S192 PolarHBondContact O-OG 3.22Å |
| 189 | P | 92.4 | Very high | 95 | Very high | 125 Ų | 125 | 44.4 Ų | 44.4 | 81% | 0.812 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.7 | 174.1 | -27 | 36.6 | 0 | 0 | 0 | 114.9 | E187 | E187-P189 VanDerWaalsContact C-N 3.32Š|
| 190 | T | 93.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 48.6 Ų | 48.6 | 48% | 0.479 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -38.9 | 171.9 | -53 | 0 | 0 | 0 | 0 | 112.5 | A37 E187 G188 | A37-T190 HydrophobicContact CB-CG2 3.68Å; E187-T190 PolarHBondContact O-N 3.04Å; G188-T190 PolarHBondContact O-N 3.48Å; G188-T190 VanDerWaalsContact O-N 3.12Å |
| 191 | F | 95.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -119.1 | 74.3 | -176.6 | -55.3 | -73 | 0 | 0 | 0 | 110.6 | A37 T38 T41 L179 P182 E187 G188 P224 C225 M227 W228 | A37-F191 HydrophobicContact CB-CE2 3.8Å; A37-F191 HydrophobicContact CB-CZ 4.2Å; T38-F191 HydrophobicContact CG2-CZ 4.37Å; T41-F191 HydrophobicContact CG2-CD2 4.28Å; T41-F191 WeakPolarHBondContact OG1-CD2 3.42Å; T41-F191 WeakPolarHBondContact OG1-CE2 3.36Å; L179-F191 HydrophobicContact CD2-CB 4.42Å; P182-F191 HydrophobicContact CB-CB 3.78Å; P182-F191 HydrophobicContact CB-CD2 4.48Å; P182-F191 HydrophobicContact CB-CG 4.5Å; P182-F191 HydrophobicContact CG-CB 3.76Å; E187-F191 HydrophobicContact CB-CD2 4.25Å; E187-F191 PolarHBondContact O-N 3.14Å; G188-F191 CarbonylContact O-C 3.59Å; G188-F191 PolarHBondContact O-N 3.45Å; F191-P224 WeakPolarHBondContact CE1-O 3.28Å; F191-C225 WeakPolarHBondContact CD1-O 3.35Å; F191-M227 HydrophobicContact CE1-CE 4.37Å; F191-W228 AromaticContact CD1-CD1 3.66Å; F191-W228 AromaticContact CG-CD1 3.78Å |
| 192 | S | 92 | Very high | 94.4 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 43% | 0.427 | 27% | 0.271 | S | S | . | . | trans | -112.6 | 156.7 | 174.1 | 30.5 | 0 | 0 | 0 | 0 | 111.2 | G188 | G188-S192 WeakPolarHBondContact O-CB 3.42Å; G188-S192 PolarHBondContact O-N 3.39Å; G188-S192 PolarHBondContact O-OG 3.22Å | ||
| 193 | Y | 95.5 | Very high | 94 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | trans | -70.4 | 140.5 | 171.5 | 176.4 | -92.9 | 0 | 0 | 0 | 110.7 | S172 L175 K176 L179 E195 P198 | S172-Y193 PolarHBondContact OG-OH 2.78Å; L175-Y193 HydrophobicContact CB-CD2 3.85Å; L175-Y193 HydrophobicContact CB-CE2 3.98Å; K176-Y193 HydrophobicContact CB-CD2 4.45Å; K176-Y193 HydrophobicContact CD-CE1 4.38Å; K176-Y193 VanDerWaalsContact CE-CZ 3.44Å; K176-Y193 HydrophobicContact CG-CD1 3.85Å; K176-Y193 HydrophobicContact CG-CD2 3.59Å; K176-Y193 HydrophobicContact CG-CE1 4Å; K176-Y193 HydrophobicContact CG-CE2 3.74Å; K176-Y193 HydrophobicContact CG-CG 3.66Å; L179-Y193 HydrophobicContact CD1-CD2 4.49Å; Y193-E195 HydrophobicContact CE1-CG 4.41Å; Y193-E195 WeakPolarHBondContact CE1-OE2 3.46Å; Y193-E195 PolarHBondContact OH-OE2 2.65Å; Y193-P198 HydrophobicContact CE2-CG 4.3Å | ||
| 194 | S | 94.3 | Very high | 93.4 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | trans | -132.9 | 151.6 | 167.4 | 73.3 | 0 | 0 | 0 | 0 | 109.7 | S196 A197 | S194-S196 PolarHBondContact O-N 2.87Å; S194-S196 VanDerWaalsContact O-N 3.11Å; S194-S196 PolarHBondContact OG-OG 3.31Å; S194-S196 VanDerWaalsContact OG-OG 3.09Å; S194-A197 VanDerWaalsContact O-CB 3.23Å; S194-A197 WeakPolarHBondContact O-CB 3.44Å; S194-A197 PolarHBondContact O-N 3.17Å; S194-A197 PolarHBondContact OG-N 2.95Å | ||
| 195 | E | 92.7 | Very high | 92.9 | Very high | 144 Ų | 144 | 59.5 Ų | 59.5 | 67% | 0.673 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.2 | 178.2 | -57.8 | -59.4 | 169.9 | 0 | 0 | 113.6 | Y193 | Y193-E195 HydrophobicContact CE1-CG 4.41Å; Y193-E195 WeakPolarHBondContact CE1-OE2 3.46Å; Y193-E195 PolarHBondContact OH-OE2 2.65Å |
| 196 | S | 92.7 | Very high | 92.6 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -17.5 | 170.4 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | S194 K199 Q200 | S194-S196 PolarHBondContact O-N 2.87Å; S194-S196 VanDerWaalsContact O-N 3.11Å; S194-S196 PolarHBondContact OG-OG 3.31Å; S194-S196 VanDerWaalsContact OG-OG 3.09Å; S196-K199 PolarHBondContact O-N 3.32Å; S196-Q200 PolarHBondContact O-N 2.8Å |
| 197 | A | 93.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -58.2 | -45.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | L175 S194 K199 Q200 F201 | L175-A197 HydrophobicContact CD1-CB 4.4Å; S194-A197 VanDerWaalsContact O-CB 3.23Å; S194-A197 WeakPolarHBondContact O-CB 3.44Å; S194-A197 PolarHBondContact O-N 3.17Å; S194-A197 PolarHBondContact OG-N 2.95Å; A197-K199 PolarHBondContact O-N 3.47Å; A197-Q200 WeakPolarHBondContact O-CB 3.39Å; A197-Q200 PolarHBondContact O-N 3.38Å; A197-F201 VanDerWaalsContact O-CD2 3.31Å; A197-F201 WeakPolarHBondContact O-CD2 3.48Å |
| 198 | P | 94.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.019 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -57.6 | -36.7 | 178.2 | -22.9 | 32.2 | 0 | 0 | 0 | 113.1 | F168 F171 L175 Y193 Q200 F201 F202 | F168-P198 HydrophobicContact CE1-CB 3.79Å; F168-P198 HydrophobicContact CE2-CB 4.29Å; F168-P198 HydrophobicContact CZ-CB 3.54Å; F171-P198 HydrophobicContact CD1-CB 4.18Å; F171-P198 HydrophobicContact CE1-CB 4.18Å; L175-P198 HydrophobicContact CD1-CB 4.21Å; L175-P198 HydrophobicContact CD1-CG 3.97Å; Y193-P198 HydrophobicContact CE2-CG 4.3Å; P198-Q200 PolarHBondContact O-N 3.36Å; P198-F201 PolarHBondContact O-N 3.41Å; P198-F202 PolarHBondContact O-N 3.42Å |
| 199 | K | 92.6 | Very high | 92.8 | Very high | 141 Ų | 141 | 67.2 Ų | 67.2 | 61% | 0.613 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -74.5 | -10.2 | 180 | -61.1 | -179.1 | -179.9 | 178.8 | 0 | 113.7 | F168 S196 A197 F201 | F168-K199 HydrophobicContact CZ-CG 4.13Å; S196-K199 PolarHBondContact O-N 3.32Å; A197-K199 PolarHBondContact O-N 3.47Å; K199-F201 VanDerWaalsContact C-N 3.3Å |
| 200 | Q | 92.6 | Very high | 93.1 | Very high | 91 Ų | 91 | 64.2 Ų | 64.2 | 43% | 0.425 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -78.5 | -17.4 | 170.6 | -61 | 174.1 | 24.8 | 0 | 0 | 112.2 | S196 A197 P198 | S196-Q200 PolarHBondContact O-N 2.8Å; A197-Q200 WeakPolarHBondContact O-CB 3.39Å; A197-Q200 PolarHBondContact O-N 3.38Å; P198-Q200 PolarHBondContact O-N 3.36Å |
| 201 | F | 94.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -44.6 | 177.6 | -64.2 | -95.6 | 0 | 0 | 0 | 112.4 | F171 L175 A197 P198 K199 S216 L217 P223 L226 | F171-F201 HydrophobicContact CE1-CB 4Å; F171-F201 HydrophobicContact CE1-CD2 4.15Å; F171-F201 HydrophobicContact CE1-CG 4.25Å; F171-F201 HydrophobicContact CZ-CB 3.9Å; F171-F201 HydrophobicContact CZ-CD1 4.35Å; F171-F201 AromaticContact CZ-CD2 3.79Å; F171-F201 HydrophobicContact CZ-CD2 3.79Å; F171-F201 HydrophobicContact CZ-CE2 4.41Å; F171-F201 AromaticContact CZ-CG 3.77Å; F171-F201 HydrophobicContact CZ-CG 3.77Å; L175-F201 HydrophobicContact CD1-CD2 4.32Å; L175-F201 HydrophobicContact CD1-CE2 4.18Å; L175-F201 HydrophobicContact CD2-CE2 4.17Å; L175-F201 HydrophobicContact CD2-CZ 4.46Å; A197-F201 VanDerWaalsContact O-CD2 3.31Å; A197-F201 WeakPolarHBondContact O-CD2 3.48Å; P198-F201 PolarHBondContact O-N 3.41Å; K199-F201 VanDerWaalsContact C-N 3.3Å; F201-S216 PolarHBondContact O-OG 3.23Å; F201-L217 HydrophobicContact CD1-CD1 3.67Å; F201-L217 HydrophobicContact CD1-CG 4.37Å; F201-L217 HydrophobicContact CE1-CD1 3.88Å; F201-L217 HydrophobicContact CE1-CG 4.08Å; F201-P223 HydrophobicContact CD1-CB 4.24Å; F201-P223 HydrophobicContact CD1-CG 3.7Å; F201-P223 HydrophobicContact CE1-CB 3.73Å; F201-P223 HydrophobicContact CE1-CG 3.51Å; F201-P223 HydrophobicContact CE2-CB 4.08Å; F201-P223 HydrophobicContact CG-CG 4.32Å; F201-P223 HydrophobicContact CZ-CB 3.63Å; F201-P223 HydrophobicContact CZ-CG 3.98Å; F201-L226 HydrophobicContact CE1-CD1 3.95Å; F201-L226 HydrophobicContact CZ-CB 4.24Å; F201-L226 HydrophobicContact CZ-CD1 3.6Å; F201-L226 HydrophobicContact CZ-CG 3.83Å |
| 202 | F | 94.8 | Very high | 93.3 | Very high | 14 Ų | 14 | 67.6 Ų | 67.6 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | trans | -146 | 143.6 | -170.9 | -48.9 | -63.7 | 0 | 0 | 0 | 112.9 | L166 F168 F171 P198 I208 F213 S216 L217 | L166-F202 HydrophobicContact CD1-CD2 4.44Å; L166-F202 HydrophobicContact CD1-CE2 4.15Å; F168-F202 HydrophobicContact CE2-CB 4.47Å; F171-F202 HydrophobicContact CD1-CD2 4.04Å; F171-F202 HydrophobicContact CD1-CE2 4.32Å; F171-F202 AromaticContact CE1-CD2 3.6Å; F171-F202 HydrophobicContact CE1-CD2 3.6Å; F171-F202 AromaticContact CE1-CE2 3.74Å; F171-F202 HydrophobicContact CE1-CE2 3.74Å; F171-F202 HydrophobicContact CE2-CE2 4.12Å; F171-F202 HydrophobicContact CZ-CD2 4Å; F171-F202 AromaticContact CZ-CE2 3.64Å; F171-F202 HydrophobicContact CZ-CE2 3.64Å; P198-F202 PolarHBondContact O-N 3.42Å; F202-I208 HydrophobicContact CB-CD1 3.93Å; F202-I208 HydrophobicContact CB-CG1 3.88Å; F202-I208 HydrophobicContact CD1-CB 4.48Å; F202-I208 HydrophobicContact CD1-CD1 3.6Å; F202-I208 HydrophobicContact CD1-CG1 3.79Å; F202-I208 HydrophobicContact CD1-CG2 3.84Å; F202-I208 HydrophobicContact CD2-CG1 4.41Å; F202-I208 HydrophobicContact CE1-CD1 4.48Å; F202-I208 HydrophobicContact CE1-CG2 3.73Å; F202-I208 HydrophobicContact CE2-CG2 4.42Å; F202-I208 HydrophobicContact CG-CD1 3.94Å; F202-I208 HydrophobicContact CG-CG1 3.75Å; F202-I208 HydrophobicContact CG-CG2 4.27Å; F202-I208 HydrophobicContact CZ-CG2 4.07Å; F202-F213 HydrophobicContact CE2-CD2 4.07Å; F202-F213 HydrophobicContact CZ-CB 4.41Å; F202-F213 HydrophobicContact CZ-CD2 4.03Å; F202-S216 VanDerWaalsContact CE1-CB 3.44Å; F202-L217 HydrophobicContact CZ-CD1 4.22Å | ||
| 203 | D | 89.8 | Confident | 93.6 | Very high | 119 Ų | 119 | 64.7 Ų | 64.7 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | trans | -70.6 | 129.9 | 163.4 | -64 | -52.2 | 0 | 0 | 0 | 110.4 | G205 S206 | D203-G205 PolarHBondContact O-N 3.49Å; D203-S206 WeakPolarHBondContact O-CB 3.48Å; D203-S206 PolarHBondContact O-N 3.26Å | ||
| 204 | S | 83.2 | Confident | 93.7 | Very high | 84 Ų | 84 | 63 Ų | 63 | 59% | 0.587 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -8.4 | -174.2 | 59 | 0 | 0 | 0 | 0 | 115.2 | ||
| 205 | G | 85.2 | Confident | 93.8 | Very high | 76 Ų | 76 | 65.7 Ų | 65.7 | 78% | 0.784 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -7.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D203 | D203-G205 PolarHBondContact O-N 3.49Š|
| 206 | S | 90.5 | Very high | 93.9 | Very high | 59 Ų | 59 | 60 Ų | 60 | 41% | 0.413 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -88.8 | 137.5 | -173.3 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | D203 I208 | D203-S206 WeakPolarHBondContact O-CB 3.48Å; D203-S206 PolarHBondContact O-N 3.26Å; S206-I208 PolarHBondContact O-N 2.92Å |
| 207 | K | 95 | Very high | 94 | Very high | 177 Ų | 177 | 57 Ų | 57 | 77% | 0.77 | 33% | 0.326 | S | S | * | . | trans | -76.4 | 85.2 | 173.5 | -69.2 | -173.9 | 177 | -175.4 | 0 | 110.4 | V165 S209 | V165-K207 HydrophobicContact CG1-CB 4.15Å; V165-K207 HydrophobicContact CG1-CG 4.44Å; K207-S209 PolarHBondContact O-N 3.22Å | ||
| 208 | I | 97.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | trans | -74.6 | 116.6 | -177.8 | -50.4 | -53.9 | 0 | 0 | 0 | 110.3 | L166 F202 S206 M212 F213 | L166-I208 HydrophobicContact CB-CB 3.92Å; L166-I208 HydrophobicContact CB-CG2 4.33Å; L166-I208 HydrophobicContact CD1-CG2 4.33Å; L166-I208 PolarHBondContact N-O 2.87Å; F202-I208 HydrophobicContact CB-CD1 3.93Å; F202-I208 HydrophobicContact CB-CG1 3.88Å; F202-I208 HydrophobicContact CD1-CB 4.48Å; F202-I208 HydrophobicContact CD1-CD1 3.6Å; F202-I208 HydrophobicContact CD1-CG1 3.79Å; F202-I208 HydrophobicContact CD1-CG2 3.84Å; F202-I208 HydrophobicContact CD2-CG1 4.41Å; F202-I208 HydrophobicContact CE1-CD1 4.48Å; F202-I208 HydrophobicContact CE1-CG2 3.73Å; F202-I208 HydrophobicContact CE2-CG2 4.42Å; F202-I208 HydrophobicContact CG-CD1 3.94Å; F202-I208 HydrophobicContact CG-CG1 3.75Å; F202-I208 HydrophobicContact CG-CG2 4.27Å; F202-I208 HydrophobicContact CZ-CG2 4.07Å; S206-I208 PolarHBondContact O-N 2.92Å; I208-M212 HydrophobicContact CD1-CE 3.78Å; I208-M212 HydrophobicContact CG2-CB 3.88Å; I208-F213 HydrophobicContact CG2-CB 4.25Å | ||
| 209 | S | 97.2 | Very high | 94 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | trans | -86 | 168.9 | 172.6 | 70.7 | 0 | 0 | 0 | 0 | 111.9 | K207 S211 M212 F213 | K207-S209 PolarHBondContact O-N 3.22Å; S209-S211 PolarHBondContact O-N 3.4Å; S209-M212 PolarHBondContact O-N 3.4Å; S209-F213 PolarHBondContact O-N 3.28Å | ||
| 210 | V | 97.6 | Very high | 93.8 | Very high | 61 Ų | 61 | 64 Ų | 64 | 37% | 0.37 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.1 | -33 | 176.3 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | R153 F156 L214 | R153-V210 HydrophobicContact CG-CG2 4.26Å; F156-V210 HydrophobicContact CB-CG2 4.19Å; F156-V210 HydrophobicContact CD1-CB 3.75Å; F156-V210 HydrophobicContact CD1-CG2 3.85Å; F156-V210 HydrophobicContact CD2-CB 4.43Å; F156-V210 HydrophobicContact CD2-CG2 4.46Å; F156-V210 HydrophobicContact CE1-CB 3.75Å; F156-V210 HydrophobicContact CE1-CG2 4.38Å; F156-V210 HydrophobicContact CE2-CB 4.41Å; F156-V210 HydrophobicContact CG-CB 4.11Å; F156-V210 HydrophobicContact CG-CG2 3.9Å; F156-V210 HydrophobicContact CZ-CB 4.1Å; F156-V210 VanDerWaalsContact CZ-N 3.34Å; V210-L214 HydrophobicContact CG2-CD1 4.15Å; V210-L214 HydrophobicContact CG2-CG 4.41Å; V210-L214 WeakPolarHBondContact O-CB 3.13Å; V210-L214 WeakPolarHBondContact O-CG 3.38Å; V210-L214 PolarHBondContact O-N 3.18Å |
| 211 | S | 97.1 | Very high | 93.4 | Very high | 65 Ų | 65 | 64.3 Ų | 64.3 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.5 | -54.8 | 175.1 | -163.3 | 0 | 0 | 0 | 0 | 110 | S209 F213 L214 D215 | S209-S211 PolarHBondContact O-N 3.4Å; S211-F213 PolarHBondContact O-N 3.01Å; S211-F213 VanDerWaalsContact O-N 3.15Å; S211-L214 CarbonylContact O-C 3.59Å; S211-L214 PolarHBondContact O-N 2.92Å; S211-D215 WeakPolarHBondContact O-CB 3.5Å; S211-D215 PolarHBondContact O-N 3.29Å; S211-D215 PolarHBondContact OG-OD2 3.15Å |
| 212 | M | 97.1 | Very high | 93.2 | Very high | 86 Ų | 86 | 64 Ų | 64 | 42% | 0.424 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.5 | -36.8 | -179.8 | -63 | 172.1 | 75.8 | 0 | 0 | 112.1 | I208 S209 S216 | I208-M212 HydrophobicContact CD1-CE 3.78Å; I208-M212 HydrophobicContact CG2-CB 3.88Å; S209-M212 PolarHBondContact O-N 3.4Å; M212-S216 VanDerWaalsContact O-CB 3.29Å; M212-S216 WeakPolarHBondContact O-CB 3.31Å; M212-S216 PolarHBondContact O-N 3.19Å; M212-S216 VanDerWaalsContact O-N 3.09Å |
| 213 | F | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.2 | -50.8 | 173.4 | 175 | -101.2 | 0 | 0 | 0 | 112.5 | L152 I155 F156 I159 L166 F171 F202 I208 S209 S211 L217 | L152-F213 HydrophobicContact CB-CE1 4.13Å; L152-F213 HydrophobicContact CD2-CE1 4.33Å; L152-F213 HydrophobicContact CD2-CZ 4.49Å; L152-F213 WeakPolarHBondContact O-CE1 3.44Å; I155-F213 HydrophobicContact CG2-CZ 4.14Å; F156-F213 HydrophobicContact CB-CD1 4.04Å; F156-F213 HydrophobicContact CB-CE1 4.12Å; F156-F213 HydrophobicContact CD2-CB 3.61Å; F156-F213 AromaticContact CD2-CD1 3.68Å; F156-F213 HydrophobicContact CD2-CD1 3.68Å; F156-F213 HydrophobicContact CD2-CD2 4.15Å; F156-F213 HydrophobicContact CD2-CE1 4.36Å; F156-F213 AromaticContact CD2-CG 3.55Å; F156-F213 HydrophobicContact CD2-CG 3.55Å; F156-F213 HydrophobicContact CE2-CB 3.75Å; F156-F213 HydrophobicContact CE2-CG 4.15Å; F156-F213 HydrophobicContact CG-CD1 4.28Å; I159-F213 HydrophobicContact CD1-CD2 4.4Å; I159-F213 HydrophobicContact CD1-CE2 3.76Å; I159-F213 HydrophobicContact CD1-CZ 4.1Å; L166-F213 HydrophobicContact CD1-CD2 3.72Å; L166-F213 HydrophobicContact CD1-CE2 4.26Å; F171-F213 HydrophobicContact CD2-CE2 4.1Å; F171-F213 AromaticContact CE2-CE2 3.89Å; F171-F213 HydrophobicContact CE2-CE2 3.89Å; F202-F213 HydrophobicContact CE2-CD2 4.07Å; F202-F213 HydrophobicContact CZ-CB 4.41Å; F202-F213 HydrophobicContact CZ-CD2 4.03Å; I208-F213 HydrophobicContact CG2-CB 4.25Å; S209-F213 PolarHBondContact O-N 3.28Å; S211-F213 PolarHBondContact O-N 3.01Å; S211-F213 VanDerWaalsContact O-N 3.15Å; F213-L217 HydrophobicContact CD2-CD1 3.92Å; F213-L217 HydrophobicContact CE1-CD2 4.13Å; F213-L217 HydrophobicContact CE2-CD1 3.77Å; F213-L217 HydrophobicContact CE2-CD2 3.89Å; F213-L217 HydrophobicContact CZ-CD1 4.26Å; F213-L217 HydrophobicContact CZ-CD2 3.57Å; F213-L217 WeakPolarHBondContact O-CD1 3.48Å; F213-L217 PolarHBondContact O-N 2.94Å; F213-L217 VanDerWaalsContact O-N 3.09Å |
| 214 | L | 97.3 | Very high | 93.2 | Very high | 15 Ų | 15 | 62.2 Ų | 62.2 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 178.3 | -68.3 | 172.5 | 0 | 0 | 0 | 111.6 | L149 L152 R153 V210 S211 S216 L217 M218 | L149-L214 HydrophobicContact CD2-CD2 4.04Å; L152-L214 HydrophobicContact CB-CD2 3.39Å; L152-L214 HydrophobicContact CD1-CD2 4.03Å; L152-L214 HydrophobicContact CG-CD2 4.37Å; R153-L214 HydrophobicContact CG-CD1 4.04Å; V210-L214 HydrophobicContact CG2-CD1 4.15Å; V210-L214 HydrophobicContact CG2-CG 4.41Å; V210-L214 WeakPolarHBondContact O-CB 3.13Å; V210-L214 WeakPolarHBondContact O-CG 3.38Å; V210-L214 PolarHBondContact O-N 3.18Å; S211-L214 CarbonylContact O-C 3.59Å; S211-L214 PolarHBondContact O-N 2.92Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 3.18Å; L214-L217 PolarHBondContact O-N 3.5Å; L214-M218 WeakPolarHBondContact O-CB 3.28Å; L214-M218 WeakPolarHBondContact O-CG 3.22Å; L214-M218 PolarHBondContact O-N 2.91Å |
| 215 | D | 96 | Very high | 93.7 | Very high | 102 Ų | 102 | 58.8 Ų | 58.8 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | -178.8 | -62.9 | -38.8 | 0 | 0 | 0 | 111.3 | S211 A219 | S211-D215 WeakPolarHBondContact O-CB 3.5Å; S211-D215 PolarHBondContact O-N 3.29Å; S211-D215 PolarHBondContact OG-OD2 3.15Å; D215-A219 PolarHBondContact O-N 3.41Å; D215-A219 VanDerWaalsContact O-N 3.15Å |
| 216 | S | 95.5 | Very high | 94.2 | Very high | 26 Ų | 26 | 55.2 Ų | 55.2 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.3 | -44.7 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 112.9 | F201 F202 M212 L214 M218 A219 | F201-S216 PolarHBondContact O-OG 3.23Å; F202-S216 VanDerWaalsContact CE1-CB 3.44Å; M212-S216 VanDerWaalsContact O-CB 3.29Å; M212-S216 WeakPolarHBondContact O-CB 3.31Å; M212-S216 PolarHBondContact O-N 3.19Å; M212-S216 VanDerWaalsContact O-N 3.09Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 3.18Å; S216-M218 VanDerWaalsContact C-N 3.33Å; S216-M218 PolarHBondContact O-N 3.4Å; S216-A219 WeakPolarHBondContact O-CB 3.38Å; S216-A219 PolarHBondContact O-N 3.35Å |
| 217 | L | 95.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.8 | -23.1 | 179.1 | -88.9 | 71.7 | 0 | 0 | 0 | 113.3 | L152 Y174 F201 F202 F213 L214 C222 L226 | L152-L217 HydrophobicContact CD1-CB 4.08Å; L152-L217 HydrophobicContact CD1-CD2 4.27Å; L152-L217 HydrophobicContact CD2-CD2 3.67Å; Y174-L217 HydrophobicContact CE1-CD2 4.49Å; F201-L217 HydrophobicContact CD1-CD1 3.67Å; F201-L217 HydrophobicContact CD1-CG 4.37Å; F201-L217 HydrophobicContact CE1-CD1 3.88Å; F201-L217 HydrophobicContact CE1-CG 4.08Å; F202-L217 HydrophobicContact CZ-CD1 4.22Å; F213-L217 HydrophobicContact CD2-CD1 3.92Å; F213-L217 HydrophobicContact CE1-CD2 4.13Å; F213-L217 HydrophobicContact CE2-CD1 3.77Å; F213-L217 HydrophobicContact CE2-CD2 3.89Å; F213-L217 HydrophobicContact CZ-CD1 4.26Å; F213-L217 HydrophobicContact CZ-CD2 3.57Å; F213-L217 WeakPolarHBondContact O-CD1 3.48Å; F213-L217 PolarHBondContact O-N 2.94Å; F213-L217 VanDerWaalsContact O-N 3.09Å; L214-L217 PolarHBondContact O-N 3.5Å; L217-C222 PolarHBondContact O-SG 2.96Å; L217-L226 HydrophobicContact CD2-CD1 4.2Å; L217-L226 HydrophobicContact CG-CD1 4.25Å |
| 218 | M | 94.1 | Very high | 94.6 | Very high | 79 Ų | 79 | 47.1 Ų | 47.1 | 39% | 0.389 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 5 | 178.5 | -63 | -64.5 | -53.2 | 0 | 0 | 113.7 | L148 L149 L152 L214 S216 | L148-M218 HydrophobicContact CD2-CE 4.3Å; L148-M218 HydrophobicContact CD2-SD 3.56Å; L148-M218 VanDerWaalsContact CD2-SD 3.56Å; L148-M218 HydrophobicContact CG-SD 3.91Å; L149-M218 HydrophobicContact CD2-CG 3.79Å; L149-M218 HydrophobicContact CD2-SD 4.17Å; L152-M218 HydrophobicContact CD1-CG 4.37Å; L152-M218 HydrophobicContact CD1-SD 4.09Å; L214-M218 WeakPolarHBondContact O-CB 3.28Å; L214-M218 WeakPolarHBondContact O-CG 3.22Å; L214-M218 PolarHBondContact O-N 2.91Å; S216-M218 VanDerWaalsContact C-N 3.33Å; S216-M218 PolarHBondContact O-N 3.4Å |
| 219 | A | 93.4 | Very high | 94.6 | Very high | 44 Ų | 44 | 47 Ų | 47 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | trans | -57.1 | 156.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D215 S216 P221 C222 | D215-A219 PolarHBondContact O-N 3.41Å; D215-A219 VanDerWaalsContact O-N 3.15Å; S216-A219 WeakPolarHBondContact O-CB 3.38Å; S216-A219 PolarHBondContact O-N 3.35Å; A219-P221 CarbonylContact O-C 3.56Å; A219-P221 VanDerWaalsContact O-C 3.27Å; A219-C222 WeakPolarHBondContact O-CA 3.45Å; A219-C222 PolarHBondContact O-N 3.2Å | ||
| 220 | D | 88.1 | Confident | 94.5 | Very high | 168 Ų | 168 | 45.7 Ų | 45.7 | 90% | 0.898 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -123.4 | 106.8 | 173 | -168.3 | 15.6 | 0 | 0 | 0 | 109.5 | ||
| 221 | P | 84.7 | Confident | 94.5 | Very high | 99 Ų | 99 | 43.1 Ų | 43.1 | 64% | 0.643 | 25% | 0.252 | S | S | * | . | S | Bend | cis | -75.1 | 144.3 | -1.1 | 32.1 | -35.2 | 0 | 0 | 0 | 113.1 | A219 | A219-P221 CarbonylContact O-C 3.56Å; A219-P221 VanDerWaalsContact O-C 3.27Å |
| 222 | C | 90.7 | Very high | 94.5 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.074 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 144.8 | 167.8 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | L217 A219 M227 P230 | L217-C222 PolarHBondContact O-SG 2.96Å; A219-C222 WeakPolarHBondContact O-CA 3.45Å; A219-C222 PolarHBondContact O-N 3.2Å; C222-M227 WeakPolarHBondContact O-CG 3.22Å; C222-P230 HydrophobicContact CB-CG 4.13Å |
| 223 | P | 92.1 | Very high | 94.4 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 13% | 0.13 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 143.2 | -177.8 | -30.5 | 38 | 0 | 0 | 0 | 113.5 | F201 C225 L226 M227 | F201-P223 HydrophobicContact CD1-CB 4.24Å; F201-P223 HydrophobicContact CD1-CG 3.7Å; F201-P223 HydrophobicContact CE1-CB 3.73Å; F201-P223 HydrophobicContact CE1-CG 3.51Å; F201-P223 HydrophobicContact CE2-CB 4.08Å; F201-P223 HydrophobicContact CG-CG 4.32Å; F201-P223 HydrophobicContact CZ-CB 3.63Å; F201-P223 HydrophobicContact CZ-CG 3.98Å; P223-C225 VanDerWaalsContact C-N 3.32Å; P223-C225 PolarHBondContact O-N 2.82Å; P223-L226 PolarHBondContact O-N 3.25Å; P223-M227 PolarHBondContact O-N 3.02Å |
| 224 | P | 91.9 | Very high | 94.3 | Very high | 76 Ų | 76 | 42.1 Ų | 42.1 | 49% | 0.494 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -53.9 | -39.2 | -156.8 | -32.6 | 37.2 | 0 | 0 | 0 | 116.3 | F191 L226 M227 | F191-P224 WeakPolarHBondContact CE1-O 3.28Å; P224-L226 VanDerWaalsContact C-N 3.27Å; P224-L226 PolarHBondContact O-N 3.25Å; P224-M227 HydrophobicContact CB-CE 4.18Å; P224-M227 WeakPolarHBondContact O-CE 3.46Å; P224-M227 PolarHBondContact O-N 3.26Å |
| 225 | C | 94.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 8% | 0.081 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -64.8 | -25.8 | -178.7 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | L179 F191 P223 W228 | L179-C225 HydrophobicContact CD1-CB 4.14Å; L179-C225 HydrophobicContact CD2-CB 4.21Å; L179-C225 VanDerWaalsContact CD2-O 3.26Å; L179-C225 WeakPolarHBondContact CD2-O 3.49Å; F191-C225 WeakPolarHBondContact CD1-O 3.35Å; P223-C225 VanDerWaalsContact C-N 3.32Å; P223-C225 PolarHBondContact O-N 2.82Å; C225-W228 PolarHBondContact O-NE1 2.94Å |
| 226 | L | 96.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -109.4 | 4.3 | -178.6 | -65.5 | -171.3 | 0 | 0 | 0 | 114.7 | L175 V178 L179 F201 L217 P223 P224 W228 L229 P230 | L175-L226 HydrophobicContact CD2-CD1 3.82Å; L175-L226 HydrophobicContact CD2-CD2 4.32Å; L175-L226 HydrophobicContact CD2-CG 4.2Å; V178-L226 HydrophobicContact CG1-CD2 3.76Å; L179-L226 HydrophobicContact CD2-CD2 4.04Å; F201-L226 HydrophobicContact CE1-CD1 3.95Å; F201-L226 HydrophobicContact CZ-CB 4.24Å; F201-L226 HydrophobicContact CZ-CD1 3.6Å; F201-L226 HydrophobicContact CZ-CG 3.83Å; L217-L226 HydrophobicContact CD2-CD1 4.2Å; L217-L226 HydrophobicContact CG-CD1 4.25Å; P223-L226 PolarHBondContact O-N 3.25Å; P224-L226 VanDerWaalsContact C-N 3.27Å; P224-L226 PolarHBondContact O-N 3.25Å; L226-W228 PolarHBondContact O-N 2.86Å; L226-L229 WeakPolarHBondContact O-CB 3.47Å; L226-L229 PolarHBondContact O-N 3.22Å; L226-P230 WeakPolarHBondContact O-CD 3.42Å |
| 227 | M | 95.2 | Very high | 94.1 | Very high | 66 Ų | 66 | 41.4 Ų | 41.4 | 33% | 0.325 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -28.8 | 179.8 | -71 | -173.4 | -61.5 | 0 | 0 | 114.5 | T38 F191 C222 P223 P224 L229 | T38-M227 VanDerWaalsContact CG2-C 3.43Å; T38-M227 HydrophobicContact CG2-CB 3.65Å; T38-M227 WeakPolarHBondContact CG2-O 3.31Å; F191-M227 HydrophobicContact CE1-CE 4.37Å; C222-M227 WeakPolarHBondContact O-CG 3.22Å; P223-M227 PolarHBondContact O-N 3.02Å; P224-M227 HydrophobicContact CB-CE 4.18Å; P224-M227 WeakPolarHBondContact O-CE 3.46Å; P224-M227 PolarHBondContact O-N 3.26Å; M227-L229 VanDerWaalsContact C-N 3.33Å |
| 228 | W | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.9 | -26.2 | 177.9 | 65.7 | -94.5 | 0 | 0 | 0 | 113.2 | T38 T41 L45 T142 V178 L181 P182 F191 C225 L226 L231 F232 | T38-W228 HydrophobicContact CG2-CB 4.22Å; T41-W228 HydrophobicContact CG2-CB 3.78Å; T41-W228 HydrophobicContact CG2-CD2 4.13Å; T41-W228 HydrophobicContact CG2-CG 3.81Å; L45-W228 HydrophobicContact CD1-CD2 4.28Å; L45-W228 HydrophobicContact CD1-CE3 3.52Å; L45-W228 HydrophobicContact CD1-CH2 4.03Å; L45-W228 HydrophobicContact CD1-CZ3 3.39Å; T142-W228 HydrophobicContact CG2-CH2 3.99Å; T142-W228 HydrophobicContact CG2-CZ3 4.29Å; V178-W228 HydrophobicContact CG2-CH2 4.14Å; V178-W228 HydrophobicContact CG2-CZ2 4.14Å; L181-W228 HydrophobicContact CB-CH2 4.39Å; L181-W228 HydrophobicContact CD1-CH2 4.28Å; P182-W228 HydrophobicContact CG-CZ2 4.25Å; F191-W228 AromaticContact CD1-CD1 3.66Å; F191-W228 AromaticContact CG-CD1 3.78Å; C225-W228 PolarHBondContact O-NE1 2.94Å; L226-W228 PolarHBondContact O-N 2.86Å; W228-L231 PolarHBondContact O-N 3.44Å; W228-F232 HydrophobicContact CE3-CB 4.47Å; W228-F232 WeakPolarHBondContact O-CB 3.24Å; W228-F232 PolarHBondContact O-N 3.21Å |
| 229 | L | 97.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73 | -51.1 | -172.6 | 170.2 | 62.3 | 0 | 0 | 0 | 112.5 | T142 L148 L226 M227 L231 F232 H233 | T142-L229 HydrophobicContact CG2-CD1 3.75Å; L148-L229 HydrophobicContact CD1-CD1 4Å; L148-L229 HydrophobicContact CD1-CD2 4.41Å; L148-L229 HydrophobicContact CD1-CG 4.06Å; L226-L229 WeakPolarHBondContact O-CB 3.47Å; L226-L229 PolarHBondContact O-N 3.22Å; M227-L229 VanDerWaalsContact C-N 3.33Å; L229-L231 VanDerWaalsContact C-N 3.26Å; L229-L231 PolarHBondContact O-N 3.19Å; L229-F232 PolarHBondContact O-N 3.43Å; L229-H233 PolarHBondContact O-N 2.87Å |
| 230 | P | 96.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.5 | -37 | 168.9 | -24.4 | 35.1 | 0 | 0 | 0 | 112.5 | L148 C222 L226 H233 R234 | L148-P230 HydrophobicContact CD2-CB 4.2Å; L148-P230 HydrophobicContact CD2-CG 4.23Å; C222-P230 HydrophobicContact CB-CG 4.13Å; L226-P230 WeakPolarHBondContact O-CD 3.42Å; P230-H233 PolarHBondContact O-N 3.3Å; P230-R234 WeakPolarHBondContact O-CG 3.32Å; P230-R234 PolarHBondContact O-N 3.21Å |
| 231 | L | 95.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.3 | -42.9 | -179.7 | -179.3 | 62.5 | 0 | 0 | 0 | 113.1 | T38 Y39 A42 W228 L229 H233 R234 M235 F258 | T38-L231 HydrophobicContact CG2-CB 4.45Å; T38-L231 HydrophobicContact CG2-CD2 3.67Å; Y39-L231 HydrophobicContact CD1-CD1 4.03Å; Y39-L231 HydrophobicContact CD1-CD2 3.63Å; Y39-L231 HydrophobicContact CD1-CG 4.28Å; Y39-L231 HydrophobicContact CD2-CD2 4Å; Y39-L231 HydrophobicContact CE1-CD1 3.63Å; Y39-L231 HydrophobicContact CE1-CD2 3.86Å; Y39-L231 HydrophobicContact CE1-CG 4.32Å; Y39-L231 HydrophobicContact CE2-CD2 4.23Å; Y39-L231 HydrophobicContact CG-CD2 3.72Å; A42-L231 HydrophobicContact CB-CD2 4.28Å; A42-L231 HydrophobicContact CB-CG 4.14Å; W228-L231 PolarHBondContact O-N 3.44Å; L229-L231 VanDerWaalsContact C-N 3.26Å; L229-L231 PolarHBondContact O-N 3.19Å; L231-H233 VanDerWaalsContact C-N 3.26Å; L231-H233 PolarHBondContact O-N 3.11Å; L231-R234 PolarHBondContact O-N 3.15Å; L231-R234 VanDerWaalsContact O-N 3.17Å; L231-M235 VanDerWaalsContact O-CB 3.29Å; L231-M235 WeakPolarHBondContact O-CB 3.39Å; L231-M235 PolarHBondContact O-N 2.86Å; L231-F258 HydrophobicContact CD1-CE2 4.35Å; L231-F258 HydrophobicContact CD1-CZ 4.08Å |
| 232 | F | 97.6 | Very high | 95 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.6 | -43.3 | 173.5 | 163.3 | -106.4 | 0 | 0 | 0 | 111.4 | A42 L45 R46 Q49 L143 W228 L229 A236 | A42-F232 HydrophobicContact CB-CB 4.1Å; L45-F232 HydrophobicContact CB-CD2 4.06Å; L45-F232 HydrophobicContact CB-CE2 4.07Å; R46-F232 HydrophobicContact CB-CD2 4.31Å; R46-F232 HydrophobicContact CB-CE2 4.27Å; Q49-F232 HydrophobicContact CB-CE2 4.3Å; Q49-F232 HydrophobicContact CB-CZ 4.3Å; Q49-F232 VanDerWaalsContact CD-CZ 3.49Å; Q49-F232 HydrophobicContact CG-CZ 4.3Å; L143-F232 HydrophobicContact CD2-CE1 4.46Å; L143-F232 HydrophobicContact CD2-CZ 3.94Å; W228-F232 HydrophobicContact CE3-CB 4.47Å; W228-F232 WeakPolarHBondContact O-CB 3.24Å; W228-F232 PolarHBondContact O-N 3.21Å; L229-F232 PolarHBondContact O-N 3.43Å; F232-A236 PolarHBondContact O-N 2.97Å |
| 233 | H | 96.1 | Very high | 95.3 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 13% | 0.13 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.7 | -44.8 | 173.8 | -92.1 | -88.3 | 0 | 0 | 0 | 113.8 | G146 L148 K151 L229 P230 L231 M235 A236 S237 | G146-H233 PolarHBondContact O-CE1 3.31Å; G146-H233 VanDerWaalsContact O-CE1 3.23Å; G146-H233 PolarHBondContact O-ND1 3.25Å; L148-H233 HydrophobicContact CB-CB 4.28Å; L148-H233 HydrophobicContact CD2-CB 4.39Å; K151-H233 VanDerWaalsContact CD-CE1 3.49Å; K151-H233 WeakPolarHBondContact CD-CE1 3.28Å; K151-H233 WeakPolarHBondContact CD-NE2 3.19Å; K151-H233 VanDerWaalsContact CE-CE1 3.41Å; K151-H233 WeakPolarHBondContact CE-CE1 3.45Å; K151-H233 PolarHBondContact NZ-CE1 3.44Å; K151-H233 PolarHBondContact NZ-NE2 3.29Å; L229-H233 PolarHBondContact O-N 2.87Å; P230-H233 PolarHBondContact O-N 3.3Å; L231-H233 VanDerWaalsContact C-N 3.26Å; L231-H233 PolarHBondContact O-N 3.11Å; H233-M235 VanDerWaalsContact C-N 3.33Å; H233-M235 PolarHBondContact O-N 2.92Å; H233-A236 PolarHBondContact O-N 3.23Å; H233-S237 PolarHBondContact O-N 2.95Å |
| 234 | R | 95.2 | Very high | 95.4 | Very high | 101 Ų | 101 | 41.3 Ų | 41.3 | 38% | 0.381 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.1 | -38.8 | 176.9 | -68.7 | -171.2 | -54.6 | 129.7 | 6.8 | 111.5 | P230 L231 A236 S237 V238 F258 E292 | P230-R234 WeakPolarHBondContact O-CG 3.32Å; P230-R234 PolarHBondContact O-N 3.21Å; L231-R234 PolarHBondContact O-N 3.15Å; L231-R234 VanDerWaalsContact O-N 3.17Å; R234-A236 PolarHBondContact O-N 2.83Å; R234-S237 PolarHBondContact O-N 3.2Å; R234-S237 PolarHBondContact O-OG 3.05Å; R234-V238 PolarHBondContact O-N 3.15Å; R234-V238 VanDerWaalsContact O-N 3.14Å; R234-F258 HydrophobicContact CB-CE1 4.45Å; R234-F258 HydrophobicContact CB-CZ 4.02Å; R234-E292 IonicContact CZ-OE1 2.75Å; R234-E292 IonicContact NH1-OE1 3.77Å; R234-E292 PolarHBondContact NH1-OE1 3.16Å; R234-E292 IonicContact NH2-OE1 3.9Å; R234-E292 PolarHBondContact NH2-OE1 3.45Å |
| 235 | M | 95 | Very high | 95.5 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 7% | 0.074 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 176.4 | -174.3 | -179 | -67.9 | 0 | 0 | 111.9 | A42 C43 R46 L231 H233 S237 V238 E239 F258 W276 | A42-M235 HydrophobicContact CB-CE 3.52Å; A42-M235 HydrophobicContact CB-SD 4.24Å; C43-M235 VanDerWaalsContact SG-CE 3.53Å; R46-M235 HydrophobicContact CB-SD 4.29Å; L231-M235 VanDerWaalsContact O-CB 3.29Å; L231-M235 WeakPolarHBondContact O-CB 3.39Å; L231-M235 PolarHBondContact O-N 2.86Å; H233-M235 VanDerWaalsContact C-N 3.33Å; H233-M235 PolarHBondContact O-N 2.92Å; M235-S237 VanDerWaalsContact C-N 3.26Å; M235-S237 PolarHBondContact O-N 2.66Å; M235-V238 WeakPolarHBondContact O-CG2 3.47Å; M235-V238 PolarHBondContact O-N 3.01Å; M235-E239 PolarHBondContact O-N 3.36Å; M235-F258 HydrophobicContact CB-CE2 4.14Å; M235-F258 HydrophobicContact CG-CE2 4.46Å; M235-W276 HydrophobicContact CE-CH2 3.79Å; M235-W276 HydrophobicContact CE-CZ2 4.14Å |
| 236 | A | 95.7 | Very high | 95.7 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 26% | 0.256 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61 | -33.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F232 H233 R234 | F232-A236 PolarHBondContact O-N 2.97Å; H233-A236 PolarHBondContact O-N 3.23Å; R234-A236 PolarHBondContact O-N 2.83Å |
| 237 | S | 93.7 | Very high | 95.7 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 57% | 0.573 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -76.8 | -23.3 | 179.4 | 73.6 | 0 | 0 | 0 | 0 | 114.9 | H233 R234 M235 | H233-S237 PolarHBondContact O-N 2.95Å; R234-S237 PolarHBondContact O-N 3.2Å; R234-S237 PolarHBondContact O-OG 3.05Å; M235-S237 VanDerWaalsContact C-N 3.26Å; M235-S237 PolarHBondContact O-N 2.66Å |
| 238 | V | 94.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -100.4 | -7.3 | -178.2 | -58.3 | 0 | 0 | 0 | 0 | 114.2 | R234 M235 H240 V241 G257 F258 S294 | R234-V238 PolarHBondContact O-N 3.15Å; R234-V238 VanDerWaalsContact O-N 3.14Å; M235-V238 WeakPolarHBondContact O-CG2 3.47Å; M235-V238 PolarHBondContact O-N 3.01Å; V238-H240 PolarHBondContact O-N 2.98Å; V238-V241 HydrophobicContact CB-CB 4.39Å; V238-V241 HydrophobicContact CB-CG2 4.34Å; V238-V241 WeakPolarHBondContact O-CB 3.48Å; V238-V241 PolarHBondContact O-N 2.88Å; V238-G257 VanDerWaalsContact O-CA 3.24Å; V238-G257 WeakPolarHBondContact O-CA 3.17Å; V238-G257 PolarHBondContact O-N 3.47Å; V238-F258 HydrophobicContact CG1-CD1 4.2Å; V238-F258 HydrophobicContact CG1-CE1 3.97Å; V238-F258 HydrophobicContact CG1-CZ 4.37Å; V238-F258 HydrophobicContact CG2-CD1 4.01Å; V238-F258 HydrophobicContact CG2-CD2 3.58Å; V238-F258 HydrophobicContact CG2-CE1 3.92Å; V238-F258 HydrophobicContact CG2-CE2 3.48Å; V238-F258 VanDerWaalsContact CG2-CE2 3.48Å; V238-F258 HydrophobicContact CG2-CG 3.87Å; V238-F258 HydrophobicContact CG2-CZ 3.66Å; V238-S294 VanDerWaalsContact CG1-CB 3.48Å |
| 239 | E | 93.9 | Very high | 95.9 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -31.7 | -171.5 | -171.2 | 162.5 | -148.3 | 0 | 0 | 113.8 | R46 K50 M235 T256 | R46-E239 IonicContact CZ-OE2 2.64Å; R46-E239 IonicContact NE-OE2 3.17Å; R46-E239 PolarHBondContact NE-OE2 3.43Å; R46-E239 IonicContact NH2-OE2 2.61Å; R46-E239 PolarHBondContact NH2-OE2 2.86Å; K50-E239 VanDerWaalsContact CE-OE2 3.28Å; K50-E239 WeakPolarHBondContact CE-OE2 3.43Å; K50-E239 IonicContact NZ-OE1 3.72Å; K50-E239 PolarHBondContact NZ-OE1 3.22Å; K50-E239 IonicContact NZ-OE2 2.71Å; K50-E239 PolarHBondContact NZ-OE2 2.83Å; M235-E239 PolarHBondContact O-N 3.36Å; E239-T256 PolarHBondContact O-OG1 3.37Å |
| 240 | H | 94.6 | Very high | 95.9 | Very high | 155 Ų | 155 | 47 Ų | 47 | 72% | 0.718 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 3.8 | 177.3 | -53.5 | -69.2 | 0 | 0 | 0 | 113.9 | V238 F242 | V238-H240 PolarHBondContact O-N 2.98Å; H240-F242 PolarHBondContact O-N 3.13Å |
| 241 | V | 95.7 | Very high | 96 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 22% | 0.218 | 27% | 0.272 | C | S | . | . | trans | -72.4 | 115.3 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 108.9 | V238 T256 G257 | V238-V241 HydrophobicContact CB-CB 4.39Å; V238-V241 HydrophobicContact CB-CG2 4.34Å; V238-V241 WeakPolarHBondContact O-CB 3.48Å; V238-V241 PolarHBondContact O-N 2.88Å; V241-T256 WeakPolarHBondContact O-CA 3.43Å; V241-G257 PolarHBondContact O-N 3.26Å | ||
| 242 | F | 95.6 | Very high | 96.1 | Very high | 121 Ų | 121 | 53.1 Ų | 53.1 | 53% | 0.531 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 137.8 | -180 | -178.9 | -109.8 | 0 | 0 | 0 | 112.4 | H240 P244 T256 Y296 | H240-F242 PolarHBondContact O-N 3.13Å; F242-P244 HydrophobicContact CD1-CG 4.46Å; F242-P244 HydrophobicContact CE1-CB 3.77Å; F242-P244 HydrophobicContact CE1-CG 4.15Å; F242-P244 HydrophobicContact CZ-CB 4.31Å; F242-T256 HydrophobicContact CD2-CG2 4.36Å; F242-Y296 WeakPolarHBondContact O-CB 3.33Å |
| 243 | H | 95.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 104.4 | 175.5 | -68 | -60.8 | 0 | 0 | 0 | 110.1 | V245 S254 F255 G257 R259 Y296 | H243-V245 HydrophobicContact CB-CG2 4.24Å; H243-V245 PolarHBondContact O-N 3.26Å; H243-S254 VanDerWaalsContact O-CA 3.32Å; H243-S254 WeakPolarHBondContact O-CA 3.48Å; H243-F255 HydrophobicContact CB-CD2 4.24Å; H243-F255 HydrophobicContact CB-CE2 4.04Å; H243-F255 HydrophobicContact CB-CZ 4.39Å; H243-F255 AromaticContact CD2-CE2 3.93Å; H243-F255 PolarHBondContact N-O 3.03Å; H243-F255 PolarHBondContact O-N 2.81Å; H243-F255 VanDerWaalsContact O-N 3.17Å; H243-G257 PolarHBondContact CD2-O 3.3Å; H243-G257 PolarHBondContact NE2-O 2.69Å; H243-G257 VanDerWaalsContact NE2-O 3.16Å; H243-R259 WeakPolarHBondContact NE2-CB 3.25Å; H243-Y296 AromaticContact ND1-CD2 3.97Å |
| 244 | P | 95.4 | Very high | 95.9 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 72.9 | 172.6 | 30.9 | -33.7 | 0 | 0 | 0 | 110.3 | F242 S254 Y296 | F242-P244 HydrophobicContact CD1-CG 4.46Å; F242-P244 HydrophobicContact CE1-CB 3.77Å; F242-P244 HydrophobicContact CE1-CG 4.15Å; F242-P244 HydrophobicContact CZ-CB 4.31Å; P244-S254 WeakPolarHBondContact CA-OG 3.2Å; P244-Y296 HydrophobicContact CG-CD1 4.03Å; P244-Y296 HydrophobicContact CG-CD2 4.3Å; P244-Y296 HydrophobicContact CG-CE1 3.64Å; P244-Y296 HydrophobicContact CG-CE2 3.91Å; P244-Y296 HydrophobicContact CG-CG 4.34Å |
| 245 | V | 94.5 | Very high | 95.9 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 149.4 | 173.9 | -57.3 | 0 | 0 | 0 | 0 | 109.3 | H243 S254 F255 Y296 | H243-V245 HydrophobicContact CB-CG2 4.24Å; H243-V245 PolarHBondContact O-N 3.26Å; V245-S254 WeakPolarHBondContact O-CA 3.31Å; V245-S254 PolarHBondContact O-N 2.98Å; V245-S254 VanDerWaalsContact O-N 3.11Å; V245-F255 HydrophobicContact CG2-CE1 3.64Å; V245-F255 HydrophobicContact CG2-CZ 3.73Å; V245-Y296 HydrophobicContact CG1-CE2 3.97Å |
| 246 | I | 97.2 | Very high | 96 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 140.5 | 174.8 | -56.4 | 172.5 | 0 | 0 | 0 | 109 | R252 | I246-R252 WeakPolarHBondContact CA-O 3.39Å |
| 247 | C | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -83.4 | 117.3 | 169.2 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | A249 C250 G251 R252 F255 C271 C274 | C247-A249 PolarHBondContact O-N 3.21Å; C247-A249 VanDerWaalsContact O-N 3.13Å; C247-C250 PolarHBondContact O-N 2.99Å; C247-G251 WeakPolarHBondContact O-CA 3.19Å; C247-G251 PolarHBondContact O-N 3.37Å; C247-R252 PolarHBondContact N-O 2.86Å; C247-F255 HydrophobicContact CB-CD1 4.34Å; C247-F255 HydrophobicContact CB-CE1 4.09Å; C247-C271 HydrophobicContact CB-CB 4.14Å; C247-C271 PolarHBondContact SG-N 3.28Å; C247-C271 VanDerWaalsContact SG-SG 3.66Å; C247-C274 VanDerWaalsContact SG-SG 3.65Å | ||
| 248 | D | 98.3 | Very high | 96.2 | Very high | 73 Ų | 73 | 50 Ų | 50 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -21.4 | -175.9 | -70.6 | -81.9 | 0 | 0 | 0 | 114.2 | Y268 Q269 S281 | D248-Y268 HydrophobicContact CB-CD2 3.72Å; D248-Y268 HydrophobicContact CB-CE1 4.35Å; D248-Y268 HydrophobicContact CB-CE2 3.4Å; D248-Y268 VanDerWaalsContact CB-CE2 3.4Å; D248-Y268 HydrophobicContact CB-CG 4.32Å; D248-Y268 WeakPolarHBondContact OD2-CA 3.15Å; D248-Q269 PolarHBondContact N-O 2.92Å; D248-Q269 PolarHBondContact OD2-N 3.47Å; D248-S281 VanDerWaalsContact C-OG 3.26Å; D248-S281 WeakPolarHBondContact O-CB 3.45Å; D248-S281 PolarHBondContact O-OG 3.36Å |
| 249 | A | 97.9 | Very high | 96.4 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -29 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | C247 L270 C274 R279 | C247-A249 PolarHBondContact O-N 3.21Å; C247-A249 VanDerWaalsContact O-N 3.13Å; A249-L270 HydrophobicContact CB-CD2 3.4Å; A249-C274 HydrophobicContact CB-CB 4.05Å; A249-R279 HydrophobicContact CB-CB 4.14Å |
| 250 | C | 97.7 | Very high | 96.5 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -2.3 | -179 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | C247 R252 | C247-C250 PolarHBondContact O-N 2.99Å; C250-R252 PolarHBondContact O-N 3.3Å; C250-R252 VanDerWaalsContact O-N 3.09Å |
| 251 | G | 97.7 | Very high | 96.7 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 55% | 0.546 | 25% | 0.247 | S | C | . | . | trans | 67.2 | 3.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | C247 D253 | C247-G251 WeakPolarHBondContact O-CA 3.19Å; C247-G251 PolarHBondContact O-N 3.37Å; G251-D253 PolarHBondContact O-N 3.45Å | ||
| 252 | R | 97 | Very high | 96.8 | Very high | 104 Ų | 104 | 43 Ų | 43 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | trans | -60.9 | 112.8 | 178.6 | -170.2 | -174.1 | -69.4 | 162.1 | 7.4 | 109 | I246 C247 C250 S254 E273 | I246-R252 WeakPolarHBondContact CA-O 3.39Å; C247-R252 PolarHBondContact N-O 2.86Å; C250-R252 PolarHBondContact O-N 3.3Å; C250-R252 VanDerWaalsContact O-N 3.09Å; R252-S254 WeakPolarHBondContact CG-O 3.45Å; R252-S254 PolarHBondContact O-N 3.29Å; R252-E273 IonicContact CZ-OE1 2.7Å; R252-E273 IonicContact CZ-OE2 3Å; R252-E273 IonicContact NH1-OE1 3.58Å; R252-E273 PolarHBondContact NH1-OE1 2.96Å; R252-E273 IonicContact NH1-OE2 2.75Å; R252-E273 IonicContact NH2-OE1 3.47Å; R252-E273 PolarHBondContact NH2-OE1 3.34Å; R252-E273 IonicContact NH2-OE2 3.55Å; R252-E273 PolarHBondContact NH2-OE2 2.87Å | ||
| 253 | D | 94.7 | Very high | 96.8 | Very high | 84 Ų | 84 | 42.4 Ų | 42.4 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 108.8 | 171.2 | 172.6 | 22.3 | 0 | 0 | 0 | 109.2 | G251 K481 | G251-D253 PolarHBondContact O-N 3.45Å; D253-K481 IonicContact OD2-NZ 3.08Å; D253-K481 PolarHBondContact OD2-NZ 3Å |
| 254 | S | 95 | Very high | 96.8 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.1 | 147.3 | -177.1 | -50.9 | 0 | 0 | 0 | 0 | 115 | H243 P244 V245 R252 | H243-S254 VanDerWaalsContact O-CA 3.32Å; H243-S254 WeakPolarHBondContact O-CA 3.48Å; P244-S254 WeakPolarHBondContact CA-OG 3.2Å; V245-S254 WeakPolarHBondContact O-CA 3.31Å; V245-S254 PolarHBondContact O-N 2.98Å; V245-S254 VanDerWaalsContact O-N 3.11Å; R252-S254 WeakPolarHBondContact CG-O 3.45Å; R252-S254 PolarHBondContact O-N 3.29Å |
| 255 | F | 97 | Very high | 96.9 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 162.6 | -179.3 | 52.7 | -94.3 | 0 | 0 | 0 | 112.4 | H243 V245 C247 R259 C271 | H243-F255 HydrophobicContact CB-CD2 4.24Å; H243-F255 HydrophobicContact CB-CE2 4.04Å; H243-F255 HydrophobicContact CB-CZ 4.39Å; H243-F255 AromaticContact CD2-CE2 3.93Å; H243-F255 PolarHBondContact N-O 3.03Å; H243-F255 PolarHBondContact O-N 2.81Å; H243-F255 VanDerWaalsContact O-N 3.17Å; V245-F255 HydrophobicContact CG2-CE1 3.64Å; V245-F255 HydrophobicContact CG2-CZ 3.73Å; C247-F255 HydrophobicContact CB-CD1 4.34Å; C247-F255 HydrophobicContact CB-CE1 4.09Å; F255-R259 HydrophobicContact CE2-CB 3.83Å; F255-R259 HydrophobicContact CE2-CG 4.36Å; F255-R259 HydrophobicContact CZ-CB 4.12Å; F255-R259 HydrophobicContact CZ-CG 4.14Å; F255-C271 HydrophobicContact CB-CB 4.17Å; F255-C271 HydrophobicContact CD1-CB 3.64Å; F255-C271 HydrophobicContact CD2-CB 3.6Å; F255-C271 HydrophobicContact CE1-CB 3.8Å; F255-C271 HydrophobicContact CE2-CB 3.78Å; F255-C271 HydrophobicContact CG-CB 3.53Å; F255-C271 HydrophobicContact CZ-CB 3.86Å |
| 256 | T | 96.5 | Very high | 96.9 | Very high | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 168.2 | 170.9 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | E239 V241 F242 | E239-T256 PolarHBondContact O-OG1 3.37Å; V241-T256 WeakPolarHBondContact O-CA 3.43Å; F242-T256 HydrophobicContact CD2-CG2 4.36Å |
| 257 | G | 96.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 93.7 | -150.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V238 V241 H243 | V238-G257 VanDerWaalsContact O-CA 3.24Å; V238-G257 WeakPolarHBondContact O-CA 3.17Å; V238-G257 PolarHBondContact O-N 3.47Å; V241-G257 PolarHBondContact O-N 3.26Å; H243-G257 PolarHBondContact CD2-O 3.3Å; H243-G257 PolarHBondContact NE2-O 2.69Å; H243-G257 VanDerWaalsContact NE2-O 3.16Å |
| 258 | F | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -77.1 | 142.1 | 175.8 | -64.4 | -83.1 | 0 | 0 | 0 | 112.4 | L231 R234 M235 V238 Y260 Q272 W276 E292 | L231-F258 HydrophobicContact CD1-CE2 4.35Å; L231-F258 HydrophobicContact CD1-CZ 4.08Å; R234-F258 HydrophobicContact CB-CE1 4.45Å; R234-F258 HydrophobicContact CB-CZ 4.02Å; M235-F258 HydrophobicContact CB-CE2 4.14Å; M235-F258 HydrophobicContact CG-CE2 4.46Å; V238-F258 HydrophobicContact CG1-CD1 4.2Å; V238-F258 HydrophobicContact CG1-CE1 3.97Å; V238-F258 HydrophobicContact CG1-CZ 4.37Å; V238-F258 HydrophobicContact CG2-CD1 4.01Å; V238-F258 HydrophobicContact CG2-CD2 3.58Å; V238-F258 HydrophobicContact CG2-CE1 3.92Å; V238-F258 HydrophobicContact CG2-CE2 3.48Å; V238-F258 VanDerWaalsContact CG2-CE2 3.48Å; V238-F258 HydrophobicContact CG2-CG 3.87Å; V238-F258 HydrophobicContact CG2-CZ 3.66Å; F258-Y260 HydrophobicContact CB-CD2 4.44Å; F258-Y260 HydrophobicContact CB-CE2 3.56Å; F258-Y260 WeakPolarHBondContact CB-OH 3.12Å; F258-Q272 HydrophobicContact CB-CB 4.18Å; F258-Q272 PolarHBondContact O-N 3.28Å; F258-W276 AromaticContact CD2-CZ2 3.83Å; F258-W276 HydrophobicContact CD2-CZ2 3.83Å; F258-W276 HydrophobicContact CE2-CZ2 4.32Å; F258-E292 HydrophobicContact CB-CG 4.41Å; F258-E292 HydrophobicContact CD1-CG 3.53Å; F258-E292 WeakPolarHBondContact CD1-OE2 3.49Å; F258-E292 VanDerWaalsContact CE1-CD 3.49Å; F258-E292 HydrophobicContact CE1-CG 4.13Å; F258-E292 HydrophobicContact CG-CG 4.29Å | ||
| 259 | R | 97.3 | Very high | 96.5 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.9 | 167.8 | 168.6 | 177.1 | 172.1 | -141.7 | 9.2 | 110.1 | H243 F255 E292 Y293 | H243-R259 WeakPolarHBondContact NE2-CB 3.25Å; F255-R259 HydrophobicContact CE2-CB 3.83Å; F255-R259 HydrophobicContact CE2-CG 4.36Å; F255-R259 HydrophobicContact CZ-CB 4.12Å; F255-R259 HydrophobicContact CZ-CG 4.14Å; R259-E292 CarbonylContact O-C 3.53Å; R259-Y293 PolarHBondContact N-O 3.48Å; R259-Y293 VanDerWaalsContact N-O 3.11Å; R259-Y293 PolarHBondContact O-N 2.73Å |
| 260 | Y | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.5 | 177.2 | -62.8 | -84.7 | 0 | 0 | 0 | 109.6 | Y39 F258 Q269 L270 Q272 F275 W276 M290 K291 E292 | Y39-Y260 WeakPolarHBondContact CE1-OH 3.5Å; Y39-Y260 PolarHBondContact OH-OH 2.98Å; F258-Y260 HydrophobicContact CB-CD2 4.44Å; F258-Y260 HydrophobicContact CB-CE2 3.56Å; F258-Y260 WeakPolarHBondContact CB-OH 3.12Å; Y260-Q269 CarbonylContact O-C 3.59Å; Y260-Q269 VanDerWaalsContact O-CA 3.26Å; Y260-Q269 WeakPolarHBondContact O-CA 3.43Å; Y260-L270 PolarHBondContact N-O 2.84Å; Y260-L270 PolarHBondContact O-N 3.46Å; Y260-Q272 HydrophobicContact CE2-CB 4.01Å; Y260-F275 AromaticContact CD1-CD1 3.49Å; Y260-F275 HydrophobicContact CD1-CD1 3.49Å; Y260-F275 VanDerWaalsContact CD1-CD1 3.49Å; Y260-F275 HydrophobicContact CD1-CD2 4.38Å; Y260-F275 AromaticContact CD1-CE1 3.58Å; Y260-F275 HydrophobicContact CD1-CE1 3.58Å; Y260-F275 HydrophobicContact CD1-CE2 4.45Å; Y260-F275 AromaticContact CD1-CG 3.92Å; Y260-F275 HydrophobicContact CD1-CG 3.92Å; Y260-F275 HydrophobicContact CD1-CZ 4.08Å; Y260-F275 HydrophobicContact CD2-CB 3.5Å; Y260-F275 AromaticContact CD2-CD1 3.53Å; Y260-F275 HydrophobicContact CD2-CD1 3.53Å; Y260-F275 HydrophobicContact CD2-CE1 4.44Å; Y260-F275 AromaticContact CD2-CG 3.64Å; Y260-F275 HydrophobicContact CD2-CG 3.64Å; Y260-F275 AromaticContact CE1-CD1 3.44Å; Y260-F275 HydrophobicContact CE1-CD1 3.44Å; Y260-F275 VanDerWaalsContact CE1-CD1 3.44Å; Y260-F275 AromaticContact CE1-CE1 3.39Å; Y260-F275 HydrophobicContact CE1-CE1 3.39Å; Y260-F275 HydrophobicContact CE1-CG 4.31Å; Y260-F275 HydrophobicContact CE1-CZ 4.24Å; Y260-F275 HydrophobicContact CE2-CB 4.03Å; Y260-F275 AromaticContact CE2-CD1 3.46Å; Y260-F275 HydrophobicContact CE2-CD1 3.46Å; Y260-F275 VanDerWaalsContact CE2-CD1 3.46Å; Y260-F275 HydrophobicContact CE2-CE1 4.27Å; Y260-F275 HydrophobicContact CE2-CG 4.04Å; Y260-F275 HydrophobicContact CG-CB 3.87Å; Y260-F275 AromaticContact CG-CD1 3.55Å; Y260-F275 HydrophobicContact CG-CD1 3.55Å; Y260-F275 HydrophobicContact CG-CD2 4.17Å; Y260-F275 HydrophobicContact CG-CE1 4.12Å; Y260-F275 AromaticContact CG-CG 3.58Å; Y260-F275 HydrophobicContact CG-CG 3.58Å; Y260-F275 AromaticContact CZ-CD1 3.42Å; Y260-F275 VanDerWaalsContact CZ-CD1 3.42Å; Y260-F275 AromaticContact CZ-CE1 3.78Å; Y260-W276 AromaticContact CE2-NE1 3.84Å; Y260-W276 AromaticContact CZ-NE1 3.8Å; Y260-W276 PolarHBondContact OH-NE1 2.94Å; Y260-M290 WeakPolarHBondContact O-CE 3.29Å; Y260-K291 CarbonylContact C-O 3.59Å; Y260-K291 WeakPolarHBondContact CA-O 3.32Å; Y260-E292 HydrophobicContact CD1-CB 4.01Å; Y260-E292 HydrophobicContact CD1-CG 4.32Å; Y260-E292 HydrophobicContact CE1-CB 3.67Å; Y260-E292 HydrophobicContact CE1-CG 3.65Å; Y260-E292 VanDerWaalsContact CE1-OE2 3.29Å; Y260-E292 WeakPolarHBondContact CE1-OE2 3.34Å; Y260-E292 VanDerWaalsContact CZ-OE2 3.28Å; Y260-E292 PolarHBondContact OH-OE2 3.28Å |
| 261 | K | 97.1 | Very high | 96.5 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.2 | 174.5 | -172.6 | 176.7 | 178.6 | 167 | 0 | 110.3 | N267 Y268 Q269 M290 K291 Y293 | K261-N267 PolarHBondContact NZ-OD1 3.24Å; K261-Y268 WeakPolarHBondContact CA-O 3.46Å; K261-Q269 HydrophobicContact CB-CG 4.32Å; K261-Q269 HydrophobicContact CG-CG 4.09Å; K261-M290 CarbonylContact O-C 3.59Å; K261-M290 WeakPolarHBondContact O-CA 3.4Å; K261-K291 PolarHBondContact N-O 2.81Å; K261-K291 PolarHBondContact O-N 2.9Å; K261-Y293 HydrophobicContact CB-CD2 4.33Å; K261-Y293 HydrophobicContact CB-CE2 3.7Å |
| 262 | C | 97.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 138.7 | 174.4 | -168.2 | 0 | 0 | 0 | 0 | 111.3 | R264 C265 Y268 H284 M290 | C262-R264 PolarHBondContact SG-N 3.31Å; C262-R264 VanDerWaalsContact SG-N 3.36Å; C262-C265 HydrophobicContact CB-CB 3.93Å; C262-C265 PolarHBondContact SG-N 3Å; C262-Y268 HydrophobicContact CB-CD1 4.22Å; C262-Y268 PolarHBondContact N-O 3.15Å; C262-H284 PolarHBondContact SG-CE1 3.16Å; C262-M290 WeakPolarHBondContact CA-SD 3.5Å; C262-M290 HydrophobicContact CB-CE 4.4Å; C262-M290 HydrophobicContact CB-SD 3.57Å; C262-M290 VanDerWaalsContact CB-SD 3.57Å |
| 263 | Q | 96.4 | Very high | 96.5 | Very high | 109 Ų | 109 | 47.8 Ų | 47.8 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -84.6 | -14.2 | 174.8 | -57.5 | -163.5 | 50.1 | 0 | 0 | 113 | E289 K291 | Q263-E289 PolarHBondContact N-O 2.75Å; Q263-E289 PolarHBondContact NE2-OE1 3.11Å; Q263-K291 HydrophobicContact CG-CB 4.16Å |
| 264 | R | 96 | Very high | 96.7 | Very high | 168 Ų | 168 | 43.9 Ų | 43.9 | 63% | 0.634 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -108.1 | -48 | -178.2 | -58.2 | -175.4 | -174.5 | 176.9 | 2.7 | 113.3 | C262 | C262-R264 PolarHBondContact SG-N 3.31Å; C262-R264 VanDerWaalsContact SG-N 3.36Å |
| 265 | C | 96.5 | Very high | 96.8 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -77.4 | 129.2 | 179.6 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | C262 N267 Y268 H284 H288 | C262-C265 HydrophobicContact CB-CB 3.93Å; C262-C265 PolarHBondContact SG-N 3Å; C265-N267 PolarHBondContact O-N 2.87Å; C265-Y268 VanDerWaalsContact CB-CB 3.48Å; C265-Y268 HydrophobicContact CB-CG 4.14Å; C265-H284 PolarHBondContact SG-ND1 3.27Å; C265-H284 VanDerWaalsContact SG-ND1 3.42Å; C265-H288 PolarHBondContact SG-ND1 3.47Å |
| 266 | H | 94.4 | Very high | 96.8 | Very high | 169 Ų | 169 | 44 Ų | 44 | 78% | 0.782 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 120.9 | 178.8 | -177.9 | 86.7 | 0 | 0 | 0 | 111.1 | Y268 | H266-Y268 PolarHBondContact O-N 3.43Š|
| 267 | N | 92.5 | Very high | 96.8 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 10 | 177.5 | -74.5 | -24.6 | 0 | 0 | 0 | 118.3 | K261 C265 Q269 | K261-N267 PolarHBondContact NZ-OD1 3.24Å; C265-N267 PolarHBondContact O-N 2.87Å; N267-Q269 WeakPolarHBondContact O-CG 3.35Å; N267-Q269 PolarHBondContact O-NE2 3.44Å |
| 268 | Y | 97.2 | Very high | 96.8 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 8% | 0.075 | 21% | 0.206 | C | C | . | . | trans | -69.1 | 130.4 | 177.7 | -166.8 | -87 | 0 | 0 | 0 | 112.5 | D248 K261 C262 C265 H266 L270 S281 H284 | D248-Y268 HydrophobicContact CB-CD2 3.72Å; D248-Y268 HydrophobicContact CB-CE1 4.35Å; D248-Y268 HydrophobicContact CB-CE2 3.4Å; D248-Y268 VanDerWaalsContact CB-CE2 3.4Å; D248-Y268 HydrophobicContact CB-CG 4.32Å; D248-Y268 WeakPolarHBondContact OD2-CA 3.15Å; K261-Y268 WeakPolarHBondContact CA-O 3.46Å; C262-Y268 HydrophobicContact CB-CD1 4.22Å; C262-Y268 PolarHBondContact N-O 3.15Å; C265-Y268 VanDerWaalsContact CB-CB 3.48Å; C265-Y268 HydrophobicContact CB-CG 4.14Å; H266-Y268 PolarHBondContact O-N 3.43Å; Y268-L270 HydrophobicContact CE1-CD1 4.27Å; Y268-L270 HydrophobicContact CE1-CD2 3.64Å; Y268-L270 HydrophobicContact CE1-CG 3.84Å; Y268-S281 WeakPolarHBondContact CE2-OG 3.18Å; Y268-S281 PolarHBondContact OH-N 3.45Å; Y268-S281 PolarHBondContact OH-OG 3.42Å; Y268-H284 HydrophobicContact CD1-CB 4.01Å; Y268-H284 AromaticContact CD1-CD2 3.85Å; Y268-H284 AromaticContact CD1-CE1 3.82Å; Y268-H284 AromaticContact CD1-CG 3.5Å; Y268-H284 AromaticContact CD1-ND1 3.47Å; Y268-H284 WeakPolarHBondContact CD1-ND1 3.39Å; Y268-H284 HydrophobicContact CD2-CB 3.96Å; Y268-H284 HydrophobicContact CE1-CB 3.66Å; Y268-H284 AromaticContact CE1-CD2 3.22Å; Y268-H284 WeakPolarHBondContact CE1-CD2 3.47Å; Y268-H284 AromaticContact CE1-CE1 3.93Å; Y268-H284 AromaticContact CE1-CG 3.22Å; Y268-H284 AromaticContact CE1-ND1 3.68Å; Y268-H284 AromaticContact CE1-NE2 3.7Å; Y268-H284 HydrophobicContact CE2-CB 3.6Å; Y268-H284 HydrophobicContact CG-CB 4.15Å; Y268-H284 VanDerWaalsContact CZ-CB 3.45Å; Y268-H284 AromaticContact CZ-CD2 3.72Å; Y268-H284 AromaticContact CZ-CG 3.58Å | ||
| 269 | Q | 96.7 | Very high | 96.8 | Very high | 25 Ų | 25 | 51.3 Ų | 51.3 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 138.2 | -168 | -69.8 | 164.7 | 93.5 | 0 | 0 | 112.2 | D248 Y260 K261 N267 | D248-Q269 PolarHBondContact N-O 2.92Å; D248-Q269 PolarHBondContact OD2-N 3.47Å; Y260-Q269 CarbonylContact O-C 3.59Å; Y260-Q269 VanDerWaalsContact O-CA 3.26Å; Y260-Q269 WeakPolarHBondContact O-CA 3.43Å; K261-Q269 HydrophobicContact CB-CG 4.32Å; K261-Q269 HydrophobicContact CG-CG 4.09Å; N267-Q269 WeakPolarHBondContact O-CG 3.35Å; N267-Q269 PolarHBondContact O-NE2 3.44Å |
| 270 | L | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.7 | 176.6 | -60.2 | -178.9 | 0 | 0 | 0 | 110.8 | A249 Y260 Y268 C274 F275 M290 | A249-L270 HydrophobicContact CB-CD2 3.4Å; Y260-L270 PolarHBondContact N-O 2.84Å; Y260-L270 PolarHBondContact O-N 3.46Å; Y268-L270 HydrophobicContact CE1-CD1 4.27Å; Y268-L270 HydrophobicContact CE1-CD2 3.64Å; Y268-L270 HydrophobicContact CE1-CG 3.84Å; L270-C274 HydrophobicContact CB-CB 4.27Å; L270-C274 HydrophobicContact CD2-CB 4.14Å; L270-F275 HydrophobicContact CB-CB 4.13Å; L270-F275 HydrophobicContact CD1-CB 4.18Å; L270-F275 HydrophobicContact CD1-CD2 4.42Å; L270-M290 HydrophobicContact CB-CE 4.26Å; L270-M290 HydrophobicContact CD1-CE 3.94Å; L270-M290 HydrophobicContact CG-CE 3.92Å |
| 271 | C | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 160.1 | 159.2 | 72.4 | 0 | 0 | 0 | 0 | 110.4 | C247 F255 E273 C274 F275 | C247-C271 HydrophobicContact CB-CB 4.14Å; C247-C271 PolarHBondContact SG-N 3.28Å; C247-C271 VanDerWaalsContact SG-SG 3.66Å; F255-C271 HydrophobicContact CB-CB 4.17Å; F255-C271 HydrophobicContact CD1-CB 3.64Å; F255-C271 HydrophobicContact CD2-CB 3.6Å; F255-C271 HydrophobicContact CE1-CB 3.8Å; F255-C271 HydrophobicContact CE2-CB 3.78Å; F255-C271 HydrophobicContact CG-CB 3.53Å; F255-C271 HydrophobicContact CZ-CB 3.86Å; C271-E273 VanDerWaalsContact C-N 3.3Å; C271-E273 PolarHBondContact O-N 3.2Å; C271-C274 PolarHBondContact O-N 3.13Å; C271-C274 VanDerWaalsContact O-N 3.13Å; C271-C274 VanDerWaalsContact SG-SG 3.61Å; C271-F275 PolarHBondContact O-N 3.44Å; C271-F275 VanDerWaalsContact O-N 3.1Å |
| 272 | Q | 97.1 | Very high | 96.7 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.3 | -42.2 | -178.2 | 72.7 | -178.5 | 22.1 | 0 | 0 | 113.4 | F258 Y260 C274 F275 W276 | F258-Q272 HydrophobicContact CB-CB 4.18Å; F258-Q272 PolarHBondContact O-N 3.28Å; Y260-Q272 HydrophobicContact CE2-CB 4.01Å; Q272-C274 VanDerWaalsContact C-N 3.31Å; Q272-C274 PolarHBondContact O-N 3.36Å; Q272-F275 PolarHBondContact O-N 2.9Å; Q272-W276 HydrophobicContact CB-CD2 4.08Å; Q272-W276 HydrophobicContact CB-CE3 4.38Å; Q272-W276 HydrophobicContact CB-CH2 4.1Å; Q272-W276 HydrophobicContact CB-CZ2 3.76Å; Q272-W276 HydrophobicContact CB-CZ3 4.39Å; Q272-W276 HydrophobicContact CG-CD2 4.48Å; Q272-W276 HydrophobicContact CG-CE3 4.29Å; Q272-W276 HydrophobicContact CG-CH2 3.93Å; Q272-W276 HydrophobicContact CG-CZ2 4.13Å; Q272-W276 HydrophobicContact CG-CZ3 4.01Å; Q272-W276 WeakPolarHBondContact O-CB 3.28Å; Q272-W276 PolarHBondContact O-N 3.49Å |
| 273 | E | 96.7 | Very high | 96.5 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 178.8 | -69.5 | 167.6 | -137.8 | 0 | 0 | 112.6 | R252 C271 R277 | R252-E273 IonicContact CZ-OE1 2.7Å; R252-E273 IonicContact CZ-OE2 3Å; R252-E273 IonicContact NH1-OE1 3.58Å; R252-E273 PolarHBondContact NH1-OE1 2.96Å; R252-E273 IonicContact NH1-OE2 2.75Å; R252-E273 IonicContact NH2-OE1 3.47Å; R252-E273 PolarHBondContact NH2-OE1 3.34Å; R252-E273 IonicContact NH2-OE2 3.55Å; R252-E273 PolarHBondContact NH2-OE2 2.87Å; C271-E273 VanDerWaalsContact C-N 3.3Å; C271-E273 PolarHBondContact O-N 3.2Å; E273-R277 VanDerWaalsContact O-CB 3.3Å; E273-R277 WeakPolarHBondContact O-CB 3.3Å; E273-R277 WeakPolarHBondContact O-CG 3.4Å; E273-R277 PolarHBondContact O-N 2.89Å; E273-R277 VanDerWaalsContact O-N 3.11Å |
| 274 | C | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.7 | -47 | 179.7 | -70.9 | 0 | 0 | 0 | 0 | 111.3 | C247 A249 L270 C271 Q272 W276 R277 G278 R279 | C247-C274 VanDerWaalsContact SG-SG 3.65Å; A249-C274 HydrophobicContact CB-CB 4.05Å; L270-C274 HydrophobicContact CB-CB 4.27Å; L270-C274 HydrophobicContact CD2-CB 4.14Å; C271-C274 PolarHBondContact O-N 3.13Å; C271-C274 VanDerWaalsContact O-N 3.13Å; C271-C274 VanDerWaalsContact SG-SG 3.61Å; Q272-C274 VanDerWaalsContact C-N 3.31Å; Q272-C274 PolarHBondContact O-N 3.36Å; C274-W276 PolarHBondContact O-N 3.42Å; C274-R277 PolarHBondContact O-N 2.89Å; C274-G278 CarbonylContact O-C 3.59Å; C274-G278 PolarHBondContact O-N 3.25Å; C274-R279 HydrophobicContact CB-CB 4.02Å; C274-R279 PolarHBondContact O-N 3.25Å |
| 275 | F | 97.9 | Very high | 96.5 | Very high | 21 Ų | 21 | 50 Ų | 50 | 9% | 0.092 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 179.2 | 177.2 | -110.7 | 0 | 0 | 0 | 112.5 | R35 F36 Y260 L270 C271 Q272 G278 M290 | R35-F275 PolarHBondContact NE-O 2.85Å; R35-F275 PolarHBondContact NH2-O 3.09Å; F36-F275 HydrophobicContact CD2-CE1 4.3Å; F36-F275 AromaticContact CE2-CD1 3.97Å; F36-F275 HydrophobicContact CE2-CD1 3.97Å; F36-F275 AromaticContact CE2-CE1 3.47Å; F36-F275 HydrophobicContact CE2-CE1 3.47Å; F36-F275 VanDerWaalsContact CE2-CE1 3.47Å; F36-F275 HydrophobicContact CE2-CE2 4.16Å; F36-F275 AromaticContact CE2-CZ 3.59Å; F36-F275 HydrophobicContact CE2-CZ 3.59Å; F36-F275 HydrophobicContact CZ-CE1 4.01Å; F36-F275 HydrophobicContact CZ-CE2 4.17Å; F36-F275 AromaticContact CZ-CZ 3.65Å; F36-F275 HydrophobicContact CZ-CZ 3.65Å; Y260-F275 AromaticContact CD1-CD1 3.49Å; Y260-F275 HydrophobicContact CD1-CD1 3.49Å; Y260-F275 VanDerWaalsContact CD1-CD1 3.49Å; Y260-F275 HydrophobicContact CD1-CD2 4.38Å; Y260-F275 AromaticContact CD1-CE1 3.58Å; Y260-F275 HydrophobicContact CD1-CE1 3.58Å; Y260-F275 HydrophobicContact CD1-CE2 4.45Å; Y260-F275 AromaticContact CD1-CG 3.92Å; Y260-F275 HydrophobicContact CD1-CG 3.92Å; Y260-F275 HydrophobicContact CD1-CZ 4.08Å; Y260-F275 HydrophobicContact CD2-CB 3.5Å; Y260-F275 AromaticContact CD2-CD1 3.53Å; Y260-F275 HydrophobicContact CD2-CD1 3.53Å; Y260-F275 HydrophobicContact CD2-CE1 4.44Å; Y260-F275 AromaticContact CD2-CG 3.64Å; Y260-F275 HydrophobicContact CD2-CG 3.64Å; Y260-F275 AromaticContact CE1-CD1 3.44Å; Y260-F275 HydrophobicContact CE1-CD1 3.44Å; Y260-F275 VanDerWaalsContact CE1-CD1 3.44Å; Y260-F275 AromaticContact CE1-CE1 3.39Å; Y260-F275 HydrophobicContact CE1-CE1 3.39Å; Y260-F275 HydrophobicContact CE1-CG 4.31Å; Y260-F275 HydrophobicContact CE1-CZ 4.24Å; Y260-F275 HydrophobicContact CE2-CB 4.03Å; Y260-F275 AromaticContact CE2-CD1 3.46Å; Y260-F275 HydrophobicContact CE2-CD1 3.46Å; Y260-F275 VanDerWaalsContact CE2-CD1 3.46Å; Y260-F275 HydrophobicContact CE2-CE1 4.27Å; Y260-F275 HydrophobicContact CE2-CG 4.04Å; Y260-F275 HydrophobicContact CG-CB 3.87Å; Y260-F275 AromaticContact CG-CD1 3.55Å; Y260-F275 HydrophobicContact CG-CD1 3.55Å; Y260-F275 HydrophobicContact CG-CD2 4.17Å; Y260-F275 HydrophobicContact CG-CE1 4.12Å; Y260-F275 AromaticContact CG-CG 3.58Å; Y260-F275 HydrophobicContact CG-CG 3.58Å; Y260-F275 AromaticContact CZ-CD1 3.42Å; Y260-F275 VanDerWaalsContact CZ-CD1 3.42Å; Y260-F275 AromaticContact CZ-CE1 3.78Å; L270-F275 HydrophobicContact CB-CB 4.13Å; L270-F275 HydrophobicContact CD1-CB 4.18Å; L270-F275 HydrophobicContact CD1-CD2 4.42Å; C271-F275 PolarHBondContact O-N 3.44Å; C271-F275 VanDerWaalsContact O-N 3.1Å; Q272-F275 PolarHBondContact O-N 2.9Å; F275-G278 PolarHBondContact O-N 2.77Å; F275-M290 HydrophobicContact CD2-CB 4.2Å; F275-M290 HydrophobicContact CD2-CG 3.95Å; F275-M290 HydrophobicContact CE2-CB 3.64Å; F275-M290 HydrophobicContact CE2-CG 3.62Å; F275-M290 HydrophobicContact CZ-CB 4.24Å |
| 276 | W | 97.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.2 | -33.5 | 179.8 | -65.3 | -8.3 | 0 | 0 | 0 | 113.6 | I34 R35 Y39 C43 M235 F258 Y260 Q272 C274 | I34-W276 HydrophobicContact CD1-CE3 4.02Å; I34-W276 HydrophobicContact CG1-CB 4.25Å; I34-W276 HydrophobicContact CG2-CB 3.99Å; R35-W276 WeakPolarHBondContact CG-O 3.39Å; R35-W276 PolarHBondContact N-O 2.63Å; Y39-W276 AromaticContact CD1-CD1 3.83Å; Y39-W276 HydrophobicContact CD1-CD2 4.22Å; Y39-W276 AromaticContact CD1-CE2 3.3Å; Y39-W276 AromaticContact CD1-CZ2 3.5Å; Y39-W276 HydrophobicContact CD1-CZ2 3.5Å; Y39-W276 VanDerWaalsContact CD1-CZ2 3.5Å; Y39-W276 AromaticContact CD1-NE1 3.07Å; Y39-W276 AromaticContact CE1-CE2 3.84Å; Y39-W276 HydrophobicContact CE1-CZ2 4.03Å; Y39-W276 AromaticContact CE1-NE1 3.26Å; Y39-W276 VanDerWaalsContact CE1-NE1 3.26Å; Y39-W276 AromaticContact CG-CD1 3.94Å; Y39-W276 AromaticContact CG-CE2 3.98Å; Y39-W276 HydrophobicContact CG-CG 4.49Å; Y39-W276 HydrophobicContact CG-CZ2 4.47Å; Y39-W276 AromaticContact CG-NE1 3.65Å; Y39-W276 AromaticContact CZ-NE1 3.97Å; C43-W276 VanDerWaalsContact SG-CZ3 3.53Å; M235-W276 HydrophobicContact CE-CH2 3.79Å; M235-W276 HydrophobicContact CE-CZ2 4.14Å; F258-W276 AromaticContact CD2-CZ2 3.83Å; F258-W276 HydrophobicContact CD2-CZ2 3.83Å; F258-W276 HydrophobicContact CE2-CZ2 4.32Å; Y260-W276 AromaticContact CE2-NE1 3.84Å; Y260-W276 AromaticContact CZ-NE1 3.8Å; Y260-W276 PolarHBondContact OH-NE1 2.94Å; Q272-W276 HydrophobicContact CB-CD2 4.08Å; Q272-W276 HydrophobicContact CB-CE3 4.38Å; Q272-W276 HydrophobicContact CB-CH2 4.1Å; Q272-W276 HydrophobicContact CB-CZ2 3.76Å; Q272-W276 HydrophobicContact CB-CZ3 4.39Å; Q272-W276 HydrophobicContact CG-CD2 4.48Å; Q272-W276 HydrophobicContact CG-CE3 4.29Å; Q272-W276 HydrophobicContact CG-CH2 3.93Å; Q272-W276 HydrophobicContact CG-CZ2 4.13Å; Q272-W276 HydrophobicContact CG-CZ3 4.01Å; Q272-W276 WeakPolarHBondContact O-CB 3.28Å; Q272-W276 PolarHBondContact O-N 3.49Å; C274-W276 PolarHBondContact O-N 3.42Å |
| 277 | R | 96.9 | Very high | 96.5 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -94.3 | 3.2 | 176.2 | -60.4 | 179.9 | -174.8 | -131.2 | 5.8 | 113.1 | T33 E273 C274 R279 | T33-R277 PolarHBondContact OG1-NE 3.17Å; T33-R277 PolarHBondContact OG1-NH1 3.22Å; E273-R277 VanDerWaalsContact O-CB 3.3Å; E273-R277 WeakPolarHBondContact O-CB 3.3Å; E273-R277 WeakPolarHBondContact O-CG 3.4Å; E273-R277 PolarHBondContact O-N 2.89Å; E273-R277 VanDerWaalsContact O-N 3.11Å; C274-R277 PolarHBondContact O-N 2.89Å; R277-R279 VanDerWaalsContact C-N 3.35Å; R277-R279 HydrophobicContact CB-CG 4.45Å; R277-R279 PolarHBondContact O-N 2.84Å |
| 278 | G | 96.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 23.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C274 F275 N286 | C274-G278 CarbonylContact O-C 3.59Å; C274-G278 PolarHBondContact O-N 3.25Å; F275-G278 PolarHBondContact O-N 2.77Å; G278-N286 WeakPolarHBondContact CA-OD1 3.22Å; G278-N286 PolarHBondContact O-ND2 3.06Å |
| 279 | R | 97.2 | Very high | 96.6 | Very high | 129 Ų | 129 | 54.9 Ų | 54.9 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | trans | -74 | 130.8 | 175.8 | -53.8 | -171.6 | -168 | -161.9 | 5.8 | 109.8 | A249 C274 R277 | A249-R279 HydrophobicContact CB-CB 4.14Å; C274-R279 HydrophobicContact CB-CB 4.02Å; C274-R279 PolarHBondContact O-N 3.25Å; R277-R279 VanDerWaalsContact C-N 3.35Å; R277-R279 HydrophobicContact CB-CG 4.45Å; R277-R279 PolarHBondContact O-N 2.84Å | ||
| 280 | V | 96.9 | Very high | 96.6 | Very high | 57 Ų | 57 | 55 Ų | 55 | 35% | 0.345 | 30% | 0.3 | S | S | . | . | trans | -138.5 | 167.5 | -178 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 281 | S | 97 | Very high | 96.5 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | trans | -151.5 | 157 | -177.1 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | D248 Y268 H284 | D248-S281 VanDerWaalsContact C-OG 3.26Å; D248-S281 WeakPolarHBondContact O-CB 3.45Å; D248-S281 PolarHBondContact O-OG 3.36Å; Y268-S281 WeakPolarHBondContact CE2-OG 3.18Å; Y268-S281 PolarHBondContact OH-N 3.45Å; Y268-S281 PolarHBondContact OH-OG 3.42Å; S281-H284 WeakPolarHBondContact O-CB 3.43Å; S281-H284 PolarHBondContact O-N 2.87Å | ||
| 282 | G | 94.7 | Very high | 96.4 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 89% | 0.887 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -135.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H284 | G282-H284 VanDerWaalsContact C-N 3.32Š|
| 283 | S | 93.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 64 Ų | 64 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 4.7 | 177.3 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 284 | H | 97 | Very high | 96.1 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.028 | 34% | 0.337 | C | S | . | . | trans | -79.2 | 137.7 | 178.7 | -176.6 | 81.5 | 0 | 0 | 0 | 111.3 | C262 C265 Y268 S281 G282 H288 M290 | C262-H284 PolarHBondContact SG-CE1 3.16Å; C265-H284 PolarHBondContact SG-ND1 3.27Å; C265-H284 VanDerWaalsContact SG-ND1 3.42Å; Y268-H284 HydrophobicContact CD1-CB 4.01Å; Y268-H284 AromaticContact CD1-CD2 3.85Å; Y268-H284 AromaticContact CD1-CE1 3.82Å; Y268-H284 AromaticContact CD1-CG 3.5Å; Y268-H284 AromaticContact CD1-ND1 3.47Å; Y268-H284 WeakPolarHBondContact CD1-ND1 3.39Å; Y268-H284 HydrophobicContact CD2-CB 3.96Å; Y268-H284 HydrophobicContact CE1-CB 3.66Å; Y268-H284 AromaticContact CE1-CD2 3.22Å; Y268-H284 WeakPolarHBondContact CE1-CD2 3.47Å; Y268-H284 AromaticContact CE1-CE1 3.93Å; Y268-H284 AromaticContact CE1-CG 3.22Å; Y268-H284 AromaticContact CE1-ND1 3.68Å; Y268-H284 AromaticContact CE1-NE2 3.7Å; Y268-H284 HydrophobicContact CE2-CB 3.6Å; Y268-H284 HydrophobicContact CG-CB 4.15Å; Y268-H284 VanDerWaalsContact CZ-CB 3.45Å; Y268-H284 AromaticContact CZ-CD2 3.72Å; Y268-H284 AromaticContact CZ-CG 3.58Å; S281-H284 WeakPolarHBondContact O-CB 3.43Å; S281-H284 PolarHBondContact O-N 2.87Å; G282-H284 VanDerWaalsContact C-N 3.32Å; H284-H288 AromaticContact ND1-ND1 3.61Å; H284-M290 PolarHBondContact CE1-SD 3.34Å | ||
| 285 | T | 96.7 | Very high | 95.9 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | trans | -125.5 | 153.3 | 179.3 | 72.3 | 0 | 0 | 0 | 0 | 111.2 | Q287 H288 | T285-Q287 PolarHBondContact O-N 2.94Å; T285-Q287 PolarHBondContact OG1-N 3.09Å; T285-H288 WeakPolarHBondContact O-CB 3.35Å; T285-H288 PolarHBondContact O-N 3.42Å; T285-H288 PolarHBondContact OG1-CD2 2.82Å | ||
| 286 | N | 95 | Very high | 95.3 | Very high | 68 Ų | 68 | 68.1 Ų | 68.1 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -4.4 | 175.1 | -78.8 | -60.3 | 0 | 0 | 0 | 114.5 | R35 G278 | R35-N286 PolarHBondContact NH2-OD1 2.77Å; G278-N286 WeakPolarHBondContact CA-OD1 3.22Å; G278-N286 PolarHBondContact O-ND2 3.06Å |
| 287 | Q | 95.5 | Very high | 94.3 | Very high | 173 Ų | 173 | 74.6 Ų | 74.6 | 81% | 0.808 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -13.1 | 172.9 | -57.4 | 179.9 | 10.7 | 0 | 0 | 112.7 | T285 | T285-Q287 PolarHBondContact O-N 2.94Å; T285-Q287 PolarHBondContact OG1-N 3.09Å |
| 288 | H | 96.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 72.4 Ų | 72.4 | 19% | 0.194 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -76.2 | 135.2 | 177 | -67.2 | 179.1 | 0 | 0 | 0 | 110.6 | C265 H284 T285 M290 | C265-H288 PolarHBondContact SG-ND1 3.47Å; H284-H288 AromaticContact ND1-ND1 3.61Å; T285-H288 WeakPolarHBondContact O-CB 3.35Å; T285-H288 PolarHBondContact O-N 3.42Å; T285-H288 PolarHBondContact OG1-CD2 2.82Å; H288-M290 PolarHBondContact O-N 2.88Å |
| 289 | E | 95.8 | Very high | 91.2 | Very high | 113 Ų | 113 | 76 Ų | 76 | 53% | 0.528 | 41% | 0.413 | S | S | . | . | trans | -66.1 | 134.4 | 177.5 | -160.9 | -174.8 | 151.1 | 0 | 0 | 110.9 | Q263 | Q263-E289 PolarHBondContact N-O 2.75Å; Q263-E289 PolarHBondContact NE2-OE1 3.11Å | ||
| 290 | M | 96.3 | Very high | 89.2 | Confident | 27 Ų | 27 | 75.1 Ų | 75.1 | 13% | 0.133 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.3 | -178 | -63.4 | -65.3 | -72.8 | 0 | 0 | 109.2 | Y260 K261 C262 L270 F275 H284 H288 | Y260-M290 WeakPolarHBondContact O-CE 3.29Å; K261-M290 CarbonylContact O-C 3.59Å; K261-M290 WeakPolarHBondContact O-CA 3.4Å; C262-M290 WeakPolarHBondContact CA-SD 3.5Å; C262-M290 HydrophobicContact CB-CE 4.4Å; C262-M290 HydrophobicContact CB-SD 3.57Å; C262-M290 VanDerWaalsContact CB-SD 3.57Å; L270-M290 HydrophobicContact CB-CE 4.26Å; L270-M290 HydrophobicContact CD1-CE 3.94Å; L270-M290 HydrophobicContact CG-CE 3.92Å; F275-M290 HydrophobicContact CD2-CB 4.2Å; F275-M290 HydrophobicContact CD2-CG 3.95Å; F275-M290 HydrophobicContact CE2-CB 3.64Å; F275-M290 HydrophobicContact CE2-CG 3.62Å; F275-M290 HydrophobicContact CZ-CB 4.24Å; H284-M290 PolarHBondContact CE1-SD 3.34Å; H288-M290 PolarHBondContact O-N 2.88Å |
| 291 | K | 95.6 | Very high | 87 | Confident | 111 Ų | 111 | 79.7 Ų | 79.7 | 48% | 0.483 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.3 | 173.8 | -178.7 | 165.4 | -178.3 | 162 | 0 | 110.3 | Y260 K261 Q263 Y293 | Y260-K291 CarbonylContact C-O 3.59Å; Y260-K291 WeakPolarHBondContact CA-O 3.32Å; K261-K291 PolarHBondContact N-O 2.81Å; K261-K291 PolarHBondContact O-N 2.9Å; Q263-K291 HydrophobicContact CG-CB 4.16Å; K291-Y293 HydrophobicContact CB-CE2 3.99Å; K291-Y293 HydrophobicContact CD-CE2 4.21Å; K291-Y293 HydrophobicContact CG-CD2 4.44Å; K291-Y293 HydrophobicContact CG-CE2 3.75Å; K291-Y293 VanDerWaalsContact O-CD2 3.32Å; K291-Y293 WeakPolarHBondContact O-CD2 3.44Å; K291-Y293 WeakPolarHBondContact O-CE2 3.28Å |
| 292 | E | 95.6 | Very high | 84.8 | Confident | 43 Ų | 43 | 82.5 Ų | 82.5 | 20% | 0.201 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 143.9 | 175.3 | -174.2 | 171.9 | 81.5 | 0 | 0 | 112 | Y39 R234 F258 R259 Y260 | Y39-E292 PolarHBondContact OH-OE2 3.08Å; R234-E292 IonicContact CZ-OE1 2.75Å; R234-E292 IonicContact NH1-OE1 3.77Å; R234-E292 PolarHBondContact NH1-OE1 3.16Å; R234-E292 IonicContact NH2-OE1 3.9Å; R234-E292 PolarHBondContact NH2-OE1 3.45Å; F258-E292 HydrophobicContact CB-CG 4.41Å; F258-E292 HydrophobicContact CD1-CG 3.53Å; F258-E292 WeakPolarHBondContact CD1-OE2 3.49Å; F258-E292 VanDerWaalsContact CE1-CD 3.49Å; F258-E292 HydrophobicContact CE1-CG 4.13Å; F258-E292 HydrophobicContact CG-CG 4.29Å; R259-E292 CarbonylContact O-C 3.53Å; Y260-E292 HydrophobicContact CD1-CB 4.01Å; Y260-E292 HydrophobicContact CD1-CG 4.32Å; Y260-E292 HydrophobicContact CE1-CB 3.67Å; Y260-E292 HydrophobicContact CE1-CG 3.65Å; Y260-E292 VanDerWaalsContact CE1-OE2 3.29Å; Y260-E292 WeakPolarHBondContact CE1-OE2 3.34Å; Y260-E292 VanDerWaalsContact CZ-OE2 3.28Å; Y260-E292 PolarHBondContact OH-OE2 3.28Å |
| 293 | Y | 95.2 | Very high | 82.7 | Confident | 77 Ų | 77 | 83.6 Ų | 83.6 | 30% | 0.302 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 122.5 | 174.2 | -67.1 | -101.1 | 0 | 0 | 0 | 109.4 | R259 K261 K291 | R259-Y293 PolarHBondContact N-O 3.48Å; R259-Y293 VanDerWaalsContact N-O 3.11Å; R259-Y293 PolarHBondContact O-N 2.73Å; K261-Y293 HydrophobicContact CB-CD2 4.33Å; K261-Y293 HydrophobicContact CB-CE2 3.7Å; K291-Y293 HydrophobicContact CB-CE2 3.99Å; K291-Y293 HydrophobicContact CD-CE2 4.21Å; K291-Y293 HydrophobicContact CG-CD2 4.44Å; K291-Y293 HydrophobicContact CG-CE2 3.75Å; K291-Y293 VanDerWaalsContact O-CD2 3.32Å; K291-Y293 WeakPolarHBondContact O-CD2 3.44Å; K291-Y293 WeakPolarHBondContact O-CE2 3.28Å |
| 294 | S | 93.4 | Very high | 80.7 | Confident | 46 Ų | 46 | 82.1 Ų | 82.1 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -100.1 | 8.1 | 177.3 | -51.4 | 0 | 0 | 0 | 0 | 113.4 | V238 | V238-S294 VanDerWaalsContact CG1-CB 3.48Š|
| 295 | S | 92.7 | Very high | 78.6 | Confident | 60 Ų | 60 | 88.1 Ų | 88.1 | 42% | 0.42 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -154.9 | 149.3 | 178.9 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 296 | Y | 84.8 | Confident | 76.5 | Confident | 78 Ų | 78 | 88.5 Ų | 88.5 | 31% | 0.306 | 45% | 0.454 | S | S | . | . | trans | -97.4 | 121.6 | 166.8 | -169.8 | -97.7 | 0 | 0 | 0 | 109.8 | F242 H243 P244 V245 | F242-Y296 WeakPolarHBondContact O-CB 3.33Å; H243-Y296 AromaticContact ND1-CD2 3.97Å; P244-Y296 HydrophobicContact CG-CD1 4.03Å; P244-Y296 HydrophobicContact CG-CD2 4.3Å; P244-Y296 HydrophobicContact CG-CE1 3.64Å; P244-Y296 HydrophobicContact CG-CE2 3.91Å; P244-Y296 HydrophobicContact CG-CG 4.34Å; V245-Y296 HydrophobicContact CG1-CE2 3.97Å | ||
| 297 | K | 77 | Confident | 74.6 | Confident | 149 Ų | 149 | 88.7 Ų | 88.7 | 65% | 0.648 | 45% | 0.454 | S | S | * | . | trans | -104.8 | 115.1 | 167.7 | -62.8 | -172.2 | -179.1 | -173.1 | 0 | 107.2 | ||||
| 298 | S | 65.2 | Low | 72.8 | Confident | 40 Ų | 40 | 83.7 Ų | 83.7 | 28% | 0.28 | 44% | 0.438 | S | S | . | . | trans | -61 | 141.4 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 110.3 | T300 K301 | S298-T300 PolarHBondContact O-N 2.85Å; S298-T300 VanDerWaalsContact O-N 3.13Å; S298-K301 PolarHBondContact O-N 3.37Å | ||
| 299 | P | 62.8 | Low | 70.8 | Confident | 91 Ų | 91 | 89.8 Ų | 89.8 | 59% | 0.591 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -52.9 | -35.3 | 178.9 | -29 | 36.2 | 0 | 0 | 0 | 113.2 | K301 Q302 | P299-K301 PolarHBondContact O-N 3.3Å; P299-Q302 WeakPolarHBondContact O-CB 3.47Å; P299-Q302 PolarHBondContact O-N 3.44Å |
| 300 | T | 55.1 | Low | 69.2 | Low | 111 Ų | 111 | 88.1 Ų | 88.1 | 68% | 0.681 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57 | -33.2 | 176.9 | -33 | 0 | 0 | 0 | 0 | 113.3 | S298 | S298-T300 PolarHBondContact O-N 2.85Å; S298-T300 VanDerWaalsContact O-N 3.13Å |
| 301 | K | 50.7 | Low | 67.2 | Low | 152 Ų | 152 | 93.2 Ų | 93.2 | 66% | 0.661 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -81.8 | -11.9 | 177 | -70.2 | -171.1 | 177.8 | -174.5 | 0 | 113.8 | S298 P299 | S298-K301 PolarHBondContact O-N 3.37Å; P299-K301 PolarHBondContact O-N 3.3Å |
| 302 | Q | 52 | Low | 65.1 | Low | 98 Ų | 98 | 95.9 Ų | 95.9 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -78.1 | -23.9 | 171.4 | -70.4 | -79.2 | 4.6 | 0 | 0 | 112.2 | P299 S306 | P299-Q302 WeakPolarHBondContact O-CB 3.47Å; P299-Q302 PolarHBondContact O-N 3.44Å; Q302-S306 VanDerWaalsContact O-CB 3.3Å; Q302-S306 WeakPolarHBondContact O-CB 3.28Å; Q302-S306 PolarHBondContact O-N 2.73Å; Q302-S306 PolarHBondContact O-OG 2.86Å |
| 303 | L | 50 | Low | 62.9 | Low | 109 Ų | 109 | 98.8 Ų | 98.8 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68 | -43.8 | -175.8 | -172.7 | 59.8 | 0 | 0 | 0 | 111.9 | H305 S306 I307 | L303-H305 PolarHBondContact O-N 2.65Å; L303-S306 PolarHBondContact O-N 2.73Å; L303-I307 HydrophobicContact CD1-CD1 3.84Å; L303-I307 HydrophobicContact CD1-CG1 4.03Å; L303-I307 HydrophobicContact CD2-CD1 4.36Å; L303-I307 HydrophobicContact CG-CD1 3.69Å; L303-I307 HydrophobicContact CG-CG1 4.29Å; L303-I307 WeakPolarHBondContact O-CB 3.27Å; L303-I307 VanDerWaalsContact O-CG1 3.26Å; L303-I307 WeakPolarHBondContact O-CG1 3.5Å; L303-I307 PolarHBondContact O-N 3.48Å |
| 304 | S | 52.9 | Low | 60.5 | Low | 76 Ų | 76 | 101.4 Ų | 101.4 | 53% | 0.531 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.5 | -41.2 | 178.7 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | S308 | S304-S308 WeakPolarHBondContact O-CB 3.49Å; S304-S308 PolarHBondContact O-N 3.01Å; S304-S308 PolarHBondContact O-OG 2.92Å |
| 305 | H | 51.5 | Low | 57.9 | Low | 131 Ų | 131 | 105.3 Ų | 105.3 | 61% | 0.606 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.9 | -30.4 | 175.7 | -75.3 | -58.3 | 0 | 0 | 0 | 113.6 | L303 S308 | L303-H305 PolarHBondContact O-N 2.65Å; H305-S308 PolarHBondContact O-OG 3.04Å |
| 306 | S | 53.4 | Low | 55.4 | Low | 64 Ų | 64 | 105.9 Ų | 105.9 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.9 | -45 | 174 | -60 | 0 | 0 | 0 | 0 | 111.2 | Q302 L303 S308 K309 S310 | Q302-S306 VanDerWaalsContact O-CB 3.3Å; Q302-S306 WeakPolarHBondContact O-CB 3.28Å; Q302-S306 PolarHBondContact O-N 2.73Å; Q302-S306 PolarHBondContact O-OG 2.86Å; L303-S306 PolarHBondContact O-N 2.73Å; S306-S308 PolarHBondContact O-N 3.32Å; S306-K309 PolarHBondContact O-N 3.42Å; S306-K309 VanDerWaalsContact O-N 3.14Å; S306-S310 PolarHBondContact O-N 3.47Å; S306-S310 PolarHBondContact O-OG 2.93Å |
| 307 | I | 55.5 | Low | 53.2 | Low | 72 Ų | 72 | 111.6 Ų | 111.6 | 37% | 0.369 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.8 | -41.8 | 176.5 | -68.9 | 171.6 | 0 | 0 | 0 | 110.9 | L303 K309 S310 L311 | L303-I307 HydrophobicContact CD1-CD1 3.84Å; L303-I307 HydrophobicContact CD1-CG1 4.03Å; L303-I307 HydrophobicContact CD2-CD1 4.36Å; L303-I307 HydrophobicContact CG-CD1 3.69Å; L303-I307 HydrophobicContact CG-CG1 4.29Å; L303-I307 WeakPolarHBondContact O-CB 3.27Å; L303-I307 VanDerWaalsContact O-CG1 3.26Å; L303-I307 WeakPolarHBondContact O-CG1 3.5Å; L303-I307 PolarHBondContact O-N 3.48Å; I307-K309 PolarHBondContact O-N 3.2Å; I307-K309 VanDerWaalsContact O-N 3.17Å; I307-S310 WeakPolarHBondContact CA-OG 3.48Å; I307-S310 PolarHBondContact O-N 2.96Å; I307-S310 PolarHBondContact O-OG 3.12Å; I307-L311 HydrophobicContact CG2-CD1 3.5Å; I307-L311 HydrophobicContact CG2-CG 3.87Å; I307-L311 WeakPolarHBondContact O-CB 3.5Å; I307-L311 WeakPolarHBondContact O-CG 3.38Å; I307-L311 PolarHBondContact O-N 3.28Å |
| 308 | S | 57.5 | Low | 51 | Low | 67 Ų | 67 | 109.4 Ų | 109.4 | 47% | 0.469 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.5 | -24.3 | 177.7 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | S304 H305 S306 | S304-S308 WeakPolarHBondContact O-CB 3.49Å; S304-S308 PolarHBondContact O-N 3.01Å; S304-S308 PolarHBondContact O-OG 2.92Å; H305-S308 PolarHBondContact O-OG 3.04Å; S306-S308 PolarHBondContact O-N 3.32Å |
| 309 | K | 54.7 | Low | 49.5 | Very low | 171 Ų | 171 | 113.3 Ų | 113.3 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -88 | -34.3 | 173.4 | -77.9 | -167.9 | 172.5 | -170.8 | 0 | 113.4 | S306 I307 | S306-K309 PolarHBondContact O-N 3.42Å; S306-K309 VanDerWaalsContact O-N 3.14Å; I307-K309 PolarHBondContact O-N 3.2Å; I307-K309 VanDerWaalsContact O-N 3.17Å |
| 310 | S | 60.4 | Low | 48.3 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 54% | 0.538 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -78.1 | -25.6 | 179.6 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | S306 I307 Q312 | S306-S310 PolarHBondContact O-N 3.47Å; S306-S310 PolarHBondContact O-OG 2.93Å; I307-S310 WeakPolarHBondContact CA-OG 3.48Å; I307-S310 PolarHBondContact O-N 2.96Å; I307-S310 PolarHBondContact O-OG 3.12Å; S310-Q312 VanDerWaalsContact C-N 3.29Å; S310-Q312 PolarHBondContact O-N 3.13Å |
| 311 | L | 55.4 | Low | 47.1 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 70% | 0.702 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -6.2 | 175.8 | -67.3 | -178.6 | 0 | 0 | 0 | 114.5 | I307 C313 | I307-L311 HydrophobicContact CG2-CD1 3.5Å; I307-L311 HydrophobicContact CG2-CG 3.87Å; I307-L311 WeakPolarHBondContact O-CB 3.5Å; I307-L311 WeakPolarHBondContact O-CG 3.38Å; I307-L311 PolarHBondContact O-N 3.28Å; L311-C313 PolarHBondContact O-N 3.49Å |
| 312 | Q | 50.8 | Low | 46.4 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 9.2 | 177.4 | -154.1 | 153.8 | 20.8 | 0 | 0 | 113.3 | S310 | S310-Q312 VanDerWaalsContact C-N 3.29Å; S310-Q312 PolarHBondContact O-N 3.13Å |
| 313 | C | 49.5 | Very low | 45.9 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 70% | 0.703 | 71% | 0.71 | S | S | * | * | trans | -98.3 | 78.7 | 175.6 | -68.4 | 0 | 0 | 0 | 0 | 111.7 | L311 P315 | L311-C313 PolarHBondContact O-N 3.49Å; C313-P315 WeakPolarHBondContact O-CD 3.47Å | ||
| 314 | V | 44.5 | Very low | 45.4 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | -89.5 | 114.9 | 163.2 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | G316 | V314-G316 PolarHBondContact O-N 3.02Å; V314-G316 VanDerWaalsContact O-N 3.14Å | ||
| 315 | P | 39.8 | Very low | 45 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | trans | -80.2 | 97.9 | -176.5 | 30.4 | -33.1 | 0 | 0 | 0 | 111.8 | C313 | C313-P315 WeakPolarHBondContact O-CD 3.47Š| ||
| 316 | G | 39.7 | Very low | 44.8 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -86 | 144.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V314 | V314-G316 PolarHBondContact O-N 3.02Å; V314-G316 VanDerWaalsContact O-N 3.14Å | ||
| 317 | Q | 39.8 | Very low | 44.7 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 93% | 0.93 | 76% | 0.756 | S | S | * | * | trans | -69.2 | 151.3 | -169.8 | -71.5 | 172.6 | -15.4 | 0 | 0 | 115.2 | ||||
| 318 | A | 31 | Very low | 44.1 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -28.6 | 136.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 319 | S | 33.7 | Very low | 43.9 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -152.4 | 170.6 | 132.9 | -159.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 320 | R | 36.4 | Very low | 43.8 | Very low | 228 Ų | 228 | 149.1 Ų | 149.1 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -77.6 | 157.8 | -165.7 | -70 | 156.9 | 142.5 | -170.3 | -6.7 | 114.6 | ||||
| 321 | R | 31.2 | Very low | 43.7 | Very low | 244 Ų | 244 | 151.3 Ų | 151.3 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -10.3 | 120.2 | 152.5 | -58.4 | 177.1 | -179.1 | -175.7 | -0.6 | 116.4 | ||||
| 322 | L | 35 | Very low | 43.7 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -140.8 | 112.3 | 148.2 | -73.1 | 173.5 | 0 | 0 | 0 | 106.3 | ||||
| 323 | L | 41.3 | Very low | 43.8 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | 52.9 | 114 | 93.7 | -110.6 | 80.5 | 0 | 0 | 0 | 113.8 | |||||
| 324 | V | 40.3 | Very low | 44.1 | Very low | 135 Ų | 135 | 151.4 Ų | 151.4 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -72.1 | 126 | 167.5 | 176.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 325 | P | 44 | Very low | 44.8 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | trans | -76.2 | 123.3 | 173 | -13.6 | 29.8 | 0 | 0 | 0 | 111.1 | T327 | P325-T327 VanDerWaalsContact C-N 3.35Å; P325-T327 PolarHBondContact O-N 2.92Å; P325-T327 VanDerWaalsContact O-N 3.14Å | ||
| 326 | E | 46.7 | Very low | 45.6 | Very low | 190 Ų | 190 | 149.7 Ų | 149.7 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -78.3 | 85.7 | 160.8 | -74 | -161.7 | 148.4 | 0 | 0 | 109.7 | ||
| 327 | T | 51.5 | Low | 46.2 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -174.1 | 132 | 154 | 8.4 | 0 | 0 | 0 | 0 | 109.3 | P325 E329 | P325-T327 VanDerWaalsContact C-N 3.35Å; P325-T327 PolarHBondContact O-N 2.92Å; P325-T327 VanDerWaalsContact O-N 3.14Å; T327-E329 PolarHBondContact O-N 3.36Å |
| 328 | P | 44.4 | Very low | 46.3 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | trans | -76.2 | 113.3 | 177.4 | 29.6 | -32.2 | 0 | 0 | 0 | 110.4 | ||||
| 329 | E | 51.6 | Low | 46.9 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 152.8 | 166.6 | -82.6 | -168.5 | 131.7 | 0 | 0 | 111.3 | T327 | T327-E329 PolarHBondContact O-N 3.36Š|
| 330 | R | 53.6 | Low | 47.2 | Very low | 233 Ų | 233 | 148.1 Ų | 148.1 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 144.5 | -174.4 | -86.7 | 178.2 | 169.1 | 166.8 | -4.1 | 112 | ||
| 331 | P | 58.7 | Low | 47.1 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 141.2 | 166.2 | -22.5 | 32.9 | 0 | 0 | 0 | 111 | D333 | P331-D333 PolarHBondContact O-N 3.17Š|
| 332 | L | 53.5 | Low | 47.5 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 132.1 | 170.1 | -90.8 | 89.1 | 0 | 0 | 0 | 109.8 | L334 | L332-L334 PolarHBondContact O-N 3.46Š|
| 333 | D | 54.2 | Low | 47.6 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | trans | -72.8 | 114.6 | 168.7 | -178.1 | 17.6 | 0 | 0 | 0 | 109.9 | P331 S335 | P331-D333 PolarHBondContact O-N 3.17Å; D333-S335 VanDerWaalsContact C-N 3.34Å; D333-S335 WeakPolarHBondContact OD1-CB 3.43Å; D333-S335 PolarHBondContact OD1-N 3.39Å; D333-S335 PolarHBondContact OD1-OG 3.37Å; D333-S335 VanDerWaalsContact OD1-OG 3.08Å; D333-S335 WeakPolarHBondContact OD2-CB 3.3Å; D333-S335 PolarHBondContact OD2-OG 3.12Å | ||
| 334 | L | 55.6 | Low | 47.6 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | trans | -93.9 | 12 | 178.5 | -67.6 | 174 | 0 | 0 | 0 | 112.8 | L332 N336 V337 | L332-L334 PolarHBondContact O-N 3.46Å; L334-N336 PolarHBondContact O-N 2.93Å; L334-V337 PolarHBondContact O-N 3.31Å | ||
| 335 | S | 59.9 | Low | 47.4 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 52% | 0.517 | 77% | 0.768 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.5 | -16.8 | -176.2 | 58.3 | 0 | 0 | 0 | 0 | 116.3 | D333 | D333-S335 VanDerWaalsContact C-N 3.34Å; D333-S335 WeakPolarHBondContact OD1-CB 3.43Å; D333-S335 PolarHBondContact OD1-N 3.39Å; D333-S335 PolarHBondContact OD1-OG 3.37Å; D333-S335 VanDerWaalsContact OD1-OG 3.08Å; D333-S335 WeakPolarHBondContact OD2-CB 3.3Å; D333-S335 PolarHBondContact OD2-OG 3.12Å |
| 336 | N | 56.2 | Low | 47 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 15.5 | -171.5 | -65.9 | -67.9 | 0 | 0 | 0 | 115.5 | L334 | L334-N336 PolarHBondContact O-N 2.93Š|
| 337 | V | 52.6 | Low | 46.4 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | trans | -119.1 | 17.3 | -172.5 | -156 | 0 | 0 | 0 | 0 | 114.1 | L334 | L334-V337 PolarHBondContact O-N 3.31Š| ||
| 338 | V | 42.1 | Very low | 45.8 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | -110.5 | 108.5 | 174.3 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | S340 | V338-S340 PolarHBondContact O-N 3.49Š| ||
| 339 | P | 42.1 | Very low | 45.3 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 124.8 | 163.4 | -16.1 | 30.3 | 0 | 0 | 0 | 108.7 | S341 | P339-S341 PolarHBondContact O-N 3.2Š|
| 340 | S | 39.6 | Very low | 44.5 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 126.6 | -176.2 | -47.8 | 0 | 0 | 0 | 0 | 111.6 | V338 | V338-S340 PolarHBondContact O-N 3.49Š|
| 341 | S | 35.2 | Very low | 43.8 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.8 | 171.3 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | P339 S343 | P339-S341 PolarHBondContact O-N 3.2Å; S341-S343 PolarHBondContact O-N 3.37Å; S341-S343 PolarHBondContact O-OG 3.1Å |
| 342 | P | 40.2 | Very low | 42.6 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -64.3 | 109.8 | 176.4 | 26 | -32.9 | 0 | 0 | 0 | 109.6 | ||||
| 343 | S | 36.9 | Very low | 42 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -86.7 | 118.2 | 179.8 | -63.8 | 0 | 0 | 0 | 0 | 110 | S341 V345 | S341-S343 PolarHBondContact O-N 3.37Å; S341-S343 PolarHBondContact O-OG 3.1Å; S343-V345 VanDerWaalsContact C-N 3.33Å; S343-V345 PolarHBondContact O-N 2.93Å | ||
| 344 | L | 40 | Very low | 41.3 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 96% | 0.963 | 77% | 0.768 | S | S | * | * | trans | -69.3 | 92 | 166.5 | -83 | 167.6 | 0 | 0 | 0 | 109.2 | R346 | L344-R346 PolarHBondContact O-N 3.21Š| ||
| 345 | V | 37.4 | Very low | 40.6 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | -74.3 | 116.4 | 177.9 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | S343 G347 | S343-V345 VanDerWaalsContact C-N 3.33Å; S343-V345 PolarHBondContact O-N 2.93Å; V345-G347 PolarHBondContact O-N 3.32Å | ||
| 346 | R | 35.9 | Very low | 39.4 | Very low | 215 Ų | 215 | 140.5 Ų | 140.5 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -71.1 | 113.7 | 172 | -173 | 172.6 | -172.9 | 142.9 | 0.2 | 109.8 | L344 H348 | L344-R346 PolarHBondContact O-N 3.21Å; R346-H348 PolarHBondContact O-N 3.06Å; R346-H348 VanDerWaalsContact O-N 3.15Å | ||
| 347 | G | 33.2 | Very low | 38.5 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -65.8 | 109 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V345 | V345-G347 PolarHBondContact O-N 3.32Š| ||
| 348 | H | 38.9 | Very low | 37.7 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | -90.2 | 109.3 | 169.2 | -96.3 | -75.8 | 0 | 0 | 0 | 110.6 | R346 | R346-H348 PolarHBondContact O-N 3.06Å; R346-H348 VanDerWaalsContact O-N 3.15Å | ||
| 349 | F | 33.5 | Very low | 37.5 | Very low | 204 Ų | 204 | 141 Ų | 141 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -74.3 | 122.1 | 164 | -85.6 | -93.8 | 0 | 0 | 0 | 110.5 | ||||
| 350 | K | 35.8 | Very low | 37.2 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -172.6 | 107.4 | 155.8 | -111.8 | 176.1 | -175.6 | -176.3 | 0 | 112.2 | ||||
| 351 | K | 37.4 | Very low | 37 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | 178.8 | 108.2 | 150.3 | -99.2 | 162.6 | -175.5 | -175.5 | 0 | 105.2 | ||||
| 352 | S | 35.3 | Very low | 37.1 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | 85.5 | 139.5 | 87.8 | -147 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 353 | P | 39.7 | Very low | 36.8 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | trans | -104.1 | -177.6 | -137.9 | 41.1 | -39.5 | 0 | 0 | 0 | 116.1 | ||||
| 354 | D | 39.1 | Very low | 36.7 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 93.9 | 141.4 | 155.1 | -56.2 | -31.1 | 0 | 0 | 0 | 120.6 | ||||
| 355 | V | 41.6 | Very low | 36.6 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 76.6 | 81.3 | 164.8 | -154.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 356 | D | 34 | Very low | 36.4 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | 45.7 | 131.4 | 109.7 | -84.8 | -28.3 | 0 | 0 | 0 | 123.8 | |||||
| 357 | I | 37.5 | Very low | 36.3 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | 89.2 | 117.3 | 132.5 | -67.4 | 167.4 | 0 | 0 | 0 | 120.9 | ||||
| 358 | A | 36.9 | Very low | 36.2 | Very low | 76 Ų | 76 | 132 Ų | 132 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | trans | 75.1 | 134.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 359 | N | 37.5 | Very low | 36.1 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | 54.3 | 129.3 | 146.9 | -56.8 | -7.2 | 0 | 0 | 0 | 119 | ||||
| 360 | G | 34.7 | Very low | 36.1 | Very low | 65 Ų | 65 | 125.7 Ų | 125.7 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | cis | 153.5 | 170.4 | -0.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 361 | I | 37.2 | Very low | 35.8 | Very low | 175 Ų | 175 | 123.9 Ų | 123.9 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | 77.7 | 138.7 | 162.9 | -53.9 | 170.5 | 0 | 0 | 0 | 117.1 | ||||
| 362 | A | 36.8 | Very low | 35.7 | Very low | 96 Ų | 96 | 117.6 Ų | 117.6 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | 69.4 | 128.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 363 | C | 34.4 | Very low | 35.6 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 91% | 0.912 | 76% | 0.761 | S | S | * | * | cis | -157.5 | 154.1 | 4.1 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 364 | G | 35 | Very low | 35.5 | Very low | 60 Ų | 60 | 122.9 Ų | 122.9 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | trans | 93 | 72.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 365 | N | 36 | Very low | 35.9 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | 28.4 | 117.3 | 141.4 | -53.9 | -2.5 | 0 | 0 | 0 | 118.3 | ||||
| 366 | A | 34.6 | Very low | 36.2 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | 60.5 | 136.7 | 72.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 367 | A | 33.9 | Very low | 36.9 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | cis | -155 | 137.3 | 8.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 368 | C | 31.4 | Very low | 37.5 | Very low | 107 Ų | 107 | 119 Ų | 119 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | 54.4 | 155.4 | 96.8 | 87.3 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 369 | I | 35.7 | Very low | 38.7 | Very low | 156 Ų | 156 | 119.1 Ų | 119.1 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | trans | 78.4 | 101.5 | 178 | -50.6 | 157.4 | 0 | 0 | 0 | 112.1 | ||||
| 370 | A | 32.9 | Very low | 40.2 | Very low | 84 Ų | 84 | 116.8 Ų | 116.8 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | 97.3 | 130.9 | 54.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 371 | N | 30.1 | Very low | 42 | Very low | 164 Ų | 164 | 119.3 Ų | 119.3 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | trans | 63.8 | 159.3 | 165.8 | -73.7 | 5 | 0 | 0 | 0 | 120.3 | ||||
| 372 | A | 36 | Very low | 43.7 | Very low | 73 Ų | 73 | 116.6 Ų | 116.6 | 60% | 0.603 | 70% | 0.704 | S | S | * | * | trans | 77.8 | 107.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | F374 | A372-F374 WeakPolarHBondContact O-CD2 3.42Š| ||
| 373 | N | 32.5 | Very low | 45.5 | Very low | 157 Ų | 157 | 117.2 Ų | 117.2 | 84% | 0.84 | 69% | 0.688 | S | S | * | * | trans | 12.7 | 105.5 | 136.1 | -51.4 | -5.8 | 0 | 0 | 0 | 117 | ||||
| 374 | F | 38.6 | Very low | 47.5 | Very low | 170 Ų | 170 | 116.7 Ų | 116.7 | 75% | 0.746 | 68% | 0.676 | S | S | * | * | trans | -138.2 | 104.7 | 159.1 | -86.2 | -80.3 | 0 | 0 | 0 | 111.4 | A372 D376 | A372-F374 WeakPolarHBondContact O-CD2 3.42Å; F374-D376 HydrophobicContact CD1-CB 4.16Å; F374-D376 PolarHBondContact O-N 3.17Å | ||
| 375 | D | 46.2 | Very low | 49.2 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 88% | 0.882 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 13 | 172.4 | -156.8 | 22.7 | 0 | 0 | 0 | 112.2 | ||
| 376 | D | 47.9 | Very low | 50.9 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 57% | 0.567 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -7.3 | -165 | -158.9 | 28.9 | 0 | 0 | 0 | 112.8 | F374 L378 D379 | F374-D376 HydrophobicContact CD1-CB 4.16Å; F374-D376 PolarHBondContact O-N 3.17Å; D376-L378 VanDerWaalsContact C-N 3.28Å; D376-L378 PolarHBondContact O-N 3.17Å; D376-D379 PolarHBondContact O-N 2.76Å |
| 377 | S | 48.2 | Very low | 52.6 | Low | 96 Ų | 96 | 116.6 Ų | 116.6 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.6 | -20.2 | -174.8 | -172.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 378 | L | 51.2 | Low | 54.4 | Low | 113 Ų | 113 | 119.9 Ų | 119.9 | 59% | 0.592 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.7 | -28 | -179 | -68.1 | 175.4 | 0 | 0 | 0 | 112.4 | D376 H382 | D376-L378 VanDerWaalsContact C-N 3.28Å; D376-L378 PolarHBondContact O-N 3.17Å; L378-H382 PolarHBondContact O-N 3.27Å; L378-H382 PolarHBondContact O-ND1 2.92Å |
| 379 | D | 61 | Low | 56.3 | Low | 77 Ų | 77 | 118.1 Ų | 118.1 | 41% | 0.412 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -77.2 | -28.9 | -176.3 | -162.6 | 46.3 | 0 | 0 | 0 | 112.1 | D376 H382 K383 | D376-D379 PolarHBondContact O-N 2.76Å; D379-H382 PolarHBondContact O-N 3.12Å; D379-K383 WeakPolarHBondContact O-CD 3.43Å; D379-K383 VanDerWaalsContact O-CG 3.3Å; D379-K383 WeakPolarHBondContact O-CG 3.39Å; D379-K383 PolarHBondContact O-N 3.1Å; D379-K383 WeakPolarHBondContact OD2-CE 3.3Å; D379-K383 IonicContact OD2-NZ 2.58Å; D379-K383 PolarHBondContact OD2-NZ 2.84Å |
| 380 | D | 69 | Low | 58.1 | Low | 118 Ų | 118 | 111.5 Ų | 111.5 | 63% | 0.631 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74 | -34.5 | 176.1 | -145.7 | 28.4 | 0 | 0 | 0 | 112.2 | K383 L384 | D380-K383 PolarHBondContact O-N 3.37Å; D380-L384 WeakPolarHBondContact O-CB 3.2Å; D380-L384 PolarHBondContact O-N 3.2Å |
| 381 | E | 72.4 | Confident | 60 | Low | 119 Ų | 119 | 116 Ų | 116 | 56% | 0.556 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.3 | -42.6 | 171.2 | -164.8 | 177 | -168.3 | 0 | 0 | 111.2 | K383 L384 I385 | E381-K383 PolarHBondContact O-N 3.09Å; E381-L384 PolarHBondContact O-N 3.49Å; E381-I385 HydrophobicContact CG-CD1 3.99Å; E381-I385 VanDerWaalsContact O-CG1 3.28Å; E381-I385 WeakPolarHBondContact O-CG1 3.17Å; E381-I385 PolarHBondContact O-N 3.34Å |
| 382 | H | 73.4 | Confident | 61.8 | Low | 118 Ų | 118 | 114 Ų | 114 | 55% | 0.546 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.3 | -41.5 | 173.8 | -74.5 | 114 | 0 | 0 | 0 | 112.7 | L378 D379 L384 I385 A386 | L378-H382 PolarHBondContact O-N 3.27Å; L378-H382 PolarHBondContact O-ND1 2.92Å; D379-H382 PolarHBondContact O-N 3.12Å; H382-L384 VanDerWaalsContact C-N 3.34Å; H382-L384 PolarHBondContact O-N 2.65Å; H382-I385 PolarHBondContact O-N 2.87Å; H382-A386 VanDerWaalsContact O-CB 3.32Å; H382-A386 WeakPolarHBondContact O-CB 3.46Å; H382-A386 PolarHBondContact O-N 3.3Å |
| 383 | K | 76 | Confident | 63.4 | Low | 109 Ų | 109 | 114 Ų | 114 | 47% | 0.474 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.8 | -38.7 | 173.4 | -75.7 | 160.9 | -178.3 | 152.4 | 0 | 112.2 | D379 D380 E381 A386 R387 | D379-K383 WeakPolarHBondContact O-CD 3.43Å; D379-K383 VanDerWaalsContact O-CG 3.3Å; D379-K383 WeakPolarHBondContact O-CG 3.39Å; D379-K383 PolarHBondContact O-N 3.1Å; D379-K383 WeakPolarHBondContact OD2-CE 3.3Å; D379-K383 IonicContact OD2-NZ 2.58Å; D379-K383 PolarHBondContact OD2-NZ 2.84Å; D380-K383 PolarHBondContact O-N 3.37Å; E381-K383 PolarHBondContact O-N 3.09Å; K383-A386 PolarHBondContact O-N 2.99Å; K383-R387 WeakPolarHBondContact O-CG 3.38Å; K383-R387 PolarHBondContact O-N 2.98Å |
| 384 | L | 75.3 | Confident | 64.4 | Low | 123 Ų | 123 | 110 Ų | 110 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.1 | -44.5 | 176.6 | -168.5 | 66.5 | 0 | 0 | 0 | 111.4 | D380 E381 H382 R387 Y388 | D380-L384 WeakPolarHBondContact O-CB 3.2Å; D380-L384 PolarHBondContact O-N 3.2Å; E381-L384 PolarHBondContact O-N 3.49Å; H382-L384 VanDerWaalsContact C-N 3.34Å; H382-L384 PolarHBondContact O-N 2.65Å; L384-R387 PolarHBondContact O-N 2.89Å; L384-Y388 WeakPolarHBondContact O-CB 3.46Å; L384-Y388 PolarHBondContact O-N 3.28Å |
| 385 | I | 70.1 | Confident | 65 | Low | 86 Ų | 86 | 110.8 Ų | 110.8 | 44% | 0.441 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -42.7 | 174.7 | -67.3 | 164.9 | 0 | 0 | 0 | 110.7 | E381 H382 Y388 T389 | E381-I385 HydrophobicContact CG-CD1 3.99Å; E381-I385 VanDerWaalsContact O-CG1 3.28Å; E381-I385 WeakPolarHBondContact O-CG1 3.17Å; E381-I385 PolarHBondContact O-N 3.34Å; H382-I385 PolarHBondContact O-N 2.87Å; I385-Y388 PolarHBondContact O-N 3.06Å; I385-T389 HydrophobicContact CG2-CG2 4.29Å; I385-T389 WeakPolarHBondContact O-CB 3.43Å; I385-T389 WeakPolarHBondContact O-CG2 3.39Å; I385-T389 PolarHBondContact O-N 3.31Å; I385-T389 PolarHBondContact O-OG1 2.93Å |
| 386 | A | 72.1 | Confident | 65.3 | Low | 24 Ų | 24 | 109.1 Ų | 109.1 | 20% | 0.198 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -62 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H382 K383 T389 A390 Y398 | H382-A386 VanDerWaalsContact O-CB 3.32Å; H382-A386 WeakPolarHBondContact O-CB 3.46Å; H382-A386 PolarHBondContact O-N 3.3Å; K383-A386 PolarHBondContact O-N 2.99Å; A386-T389 WeakPolarHBondContact CA-OG1 3.33Å; A386-T389 PolarHBondContact O-OG1 3.4Å; A386-T389 VanDerWaalsContact O-OG1 3.07Å; A386-A390 WeakPolarHBondContact O-CB 3.33Å; A386-A390 PolarHBondContact O-N 2.95Å; A386-Y398 HydrophobicContact CB-CE2 4.21Å |
| 387 | R | 71.1 | Confident | 65.2 | Low | 202 Ų | 202 | 107.5 Ų | 107.5 | 76% | 0.762 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.6 | -39.2 | 174.1 | -73.8 | -178.6 | 178.7 | -151.8 | 1.1 | 112.3 | K383 L384 K391 | K383-R387 WeakPolarHBondContact O-CG 3.38Å; K383-R387 PolarHBondContact O-N 2.98Å; L384-R387 PolarHBondContact O-N 2.89Å; R387-K391 WeakPolarHBondContact O-CB 3.4Å; R387-K391 PolarHBondContact O-N 3.23Å |
| 388 | Y | 70.8 | Confident | 64.6 | Low | 151 Ų | 151 | 111.2 Ų | 111.2 | 59% | 0.592 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.5 | -41.4 | 179.8 | -167.1 | -114.9 | 0 | 0 | 0 | 112.3 | L384 I385 K391 L392 | L384-Y388 WeakPolarHBondContact O-CB 3.46Å; L384-Y388 PolarHBondContact O-N 3.28Å; I385-Y388 PolarHBondContact O-N 3.06Å; Y388-K391 PolarHBondContact O-N 2.79Å; Y388-L392 HydrophobicContact CD1-CD1 3.71Å; Y388-L392 HydrophobicContact CD1-CG 4.34Å; Y388-L392 HydrophobicContact CE1-CD1 3.49Å; Y388-L392 VanDerWaalsContact CE1-CD1 3.49Å; Y388-L392 HydrophobicContact CE1-CG 4.12Å; Y388-L392 WeakPolarHBondContact O-CB 3.26Å; Y388-L392 WeakPolarHBondContact O-CG 3.37Å; Y388-L392 PolarHBondContact O-N 2.94Å |
| 389 | T | 71.5 | Confident | 64.5 | Low | 69 Ų | 69 | 113.8 Ų | 113.8 | 42% | 0.423 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.9 | -37.2 | 175.3 | 48.3 | 0 | 0 | 0 | 0 | 112.8 | I385 A386 L392 S393 | I385-T389 HydrophobicContact CG2-CG2 4.29Å; I385-T389 WeakPolarHBondContact O-CB 3.43Å; I385-T389 WeakPolarHBondContact O-CG2 3.39Å; I385-T389 PolarHBondContact O-N 3.31Å; I385-T389 PolarHBondContact O-OG1 2.93Å; A386-T389 WeakPolarHBondContact CA-OG1 3.33Å; A386-T389 PolarHBondContact O-OG1 3.4Å; A386-T389 VanDerWaalsContact O-OG1 3.07Å; T389-L392 PolarHBondContact O-N 2.82Å; T389-S393 WeakPolarHBondContact O-CB 3.44Å; T389-S393 PolarHBondContact O-N 3.24Å; T389-S393 PolarHBondContact O-OG 3Å |
| 390 | A | 72.9 | Confident | 63.5 | Low | 18 Ų | 18 | 114.9 Ų | 114.9 | 15% | 0.149 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -59.2 | -46.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A386 L392 S393 G394 R395 | A386-A390 WeakPolarHBondContact O-CB 3.33Å; A386-A390 PolarHBondContact O-N 2.95Å; A390-L392 PolarHBondContact O-N 3.19Å; A390-S393 PolarHBondContact O-N 3.35Å; A390-S393 PolarHBondContact O-OG 2.93Å; A390-S393 VanDerWaalsContact O-OG 3.08Å; A390-G394 PolarHBondContact O-N 2.98Å; A390-R395 CarbonylContact C-O 3.48Å; A390-R395 PolarHBondContact O-N 3.31Å; A390-R395 VanDerWaalsContact O-N 3.16Å; A390-R395 VanDerWaalsContact O-O 3.11Å |
| 391 | K | 74.1 | Confident | 62 | Low | 178 Ų | 178 | 116 Ų | 116 | 77% | 0.774 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.1 | -37.3 | 178.7 | -156.8 | 172.8 | -170.6 | 178.2 | 0 | 113.1 | R387 Y388 | R387-K391 WeakPolarHBondContact O-CB 3.4Å; R387-K391 PolarHBondContact O-N 3.23Å; Y388-K391 PolarHBondContact O-N 2.79Å |
| 392 | L | 67 | Low | 60.3 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 63% | 0.634 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.5 | -28.5 | 175.4 | -77.7 | 174.4 | 0 | 0 | 0 | 113.8 | Y388 T389 A390 G394 | Y388-L392 HydrophobicContact CD1-CD1 3.71Å; Y388-L392 HydrophobicContact CD1-CG 4.34Å; Y388-L392 HydrophobicContact CE1-CD1 3.49Å; Y388-L392 VanDerWaalsContact CE1-CD1 3.49Å; Y388-L392 HydrophobicContact CE1-CG 4.12Å; Y388-L392 WeakPolarHBondContact O-CB 3.26Å; Y388-L392 WeakPolarHBondContact O-CG 3.37Å; Y388-L392 PolarHBondContact O-N 2.94Å; T389-L392 PolarHBondContact O-N 2.82Å; A390-L392 PolarHBondContact O-N 3.19Å; L392-G394 VanDerWaalsContact C-N 3.3Å |
| 393 | S | 70.8 | Confident | 59 | Low | 75 Ų | 75 | 117.4 Ų | 117.4 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.8 | 7.2 | 179.9 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | T389 A390 R395 | T389-S393 WeakPolarHBondContact O-CB 3.44Å; T389-S393 PolarHBondContact O-N 3.24Å; T389-S393 PolarHBondContact O-OG 3Å; A390-S393 PolarHBondContact O-N 3.35Å; A390-S393 PolarHBondContact O-OG 2.93Å; A390-S393 VanDerWaalsContact O-OG 3.08Å; S393-R395 PolarHBondContact O-N 3.49Å; S393-R395 VanDerWaalsContact O-N 3.15Å |
| 394 | G | 53.5 | Low | 57.4 | Low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.9 | 7.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A390 L392 | A390-G394 PolarHBondContact O-N 2.98Å; L392-G394 VanDerWaalsContact C-N 3.3Å |
| 395 | R | 50.3 | Low | 56 | Low | 187 Ų | 187 | 117.8 Ų | 117.8 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | trans | -92.7 | 109.3 | 179.8 | -78.4 | -174.5 | 167.5 | -169.2 | -3.6 | 110.2 | A390 S393 A397 | A390-R395 CarbonylContact C-O 3.48Å; A390-R395 PolarHBondContact O-N 3.31Å; A390-R395 VanDerWaalsContact O-N 3.16Å; A390-R395 VanDerWaalsContact O-O 3.11Å; S393-R395 PolarHBondContact O-N 3.49Å; S393-R395 VanDerWaalsContact O-N 3.15Å; R395-A397 PolarHBondContact O-N 2.95Å | ||
| 396 | S | 52 | Low | 54.9 | Low | 130 Ų | 130 | 119.2 Ų | 119.2 | 91% | 0.909 | 64% | 0.635 | S | S | * | * | trans | -77.2 | 4.4 | 179.2 | -165.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 397 | A | 45.5 | Very low | 54 | Low | 73 Ų | 73 | 126.2 Ų | 126.2 | 60% | 0.603 | 66% | 0.664 | S | S | * | * | trans | -148.2 | 145.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R395 | R395-A397 PolarHBondContact O-N 2.95Š| ||
| 398 | Y | 36.4 | Very low | 53.3 | Low | 173 Ų | 173 | 123.4 Ų | 123.4 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | trans | -108.6 | 128.9 | 175.7 | -154.6 | -90.6 | 0 | 0 | 0 | 108.2 | A386 | A386-Y398 HydrophobicContact CB-CE2 4.21Š| ||
| 399 | H | 48.5 | Very low | 53.2 | Low | 167 Ų | 167 | 120 Ų | 120 | 77% | 0.773 | 65% | 0.651 | S | S | * | * | trans | -137 | 111.7 | 179.4 | -112.9 | -74.3 | 0 | 0 | 0 | 109.6 | ||||
| 400 | P | 40 | Very low | 53.4 | Low | 100 Ų | 100 | 123 Ų | 123 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | trans | -81.3 | 139.8 | 170.5 | 32.3 | -31.3 | 0 | 0 | 0 | 110.4 | ||||
| 401 | V | 38.2 | Very low | 53.5 | Low | 141 Ų | 141 | 129.2 Ų | 129.2 | 86% | 0.855 | 69% | 0.688 | S | S | * | * | trans | -120.5 | 111.2 | 171.5 | -180 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 402 | M | 36.2 | Very low | 53.4 | Low | 133 Ų | 133 | 126.3 Ų | 126.3 | 66% | 0.655 | 68% | 0.677 | S | S | * | * | trans | -114.9 | 150.9 | 170.3 | -75.6 | -85.4 | -98.7 | 0 | 0 | 108.4 | F406 | M402-F406 HydrophobicContact CE-CE2 3.83Å; M402-F406 HydrophobicContact CE-CZ 3.9Å; M402-F406 HydrophobicContact SD-CE2 3.98Å; M402-F406 HydrophobicContact SD-CZ 4.42Å | ||
| 403 | L | 46 | Very low | 53.9 | Low | 135 Ų | 135 | 126.9 Ų | 126.9 | 71% | 0.707 | 68% | 0.675 | S | S | * | * | 159.5 | -32 | 119.3 | -82.7 | 170.6 | 0 | 0 | 0 | 113.8 | A405 | L403-A405 VanDerWaalsContact C-N 3.34Å; L403-A405 PolarHBondContact O-N 3.35Å | |||
| 404 | N | 44.1 | Very low | 54.4 | Low | 162 Ų | 162 | 126.3 Ų | 126.3 | 87% | 0.866 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -0.9 | -168.6 | -67.3 | 20.3 | 0 | 0 | 0 | 116.3 | ||
| 405 | A | 45.6 | Very low | 55.8 | Low | 77 Ų | 77 | 126.9 Ų | 126.9 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 2.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | L403 | L403-A405 VanDerWaalsContact C-N 3.34Å; L403-A405 PolarHBondContact O-N 3.35Å |
| 406 | F | 46.6 | Very low | 57.1 | Low | 117 Ų | 117 | 122.4 Ų | 122.4 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -88.9 | -34.9 | -171 | -81.5 | -86.1 | 0 | 0 | 0 | 114.7 | M402 N409 M410 | M402-F406 HydrophobicContact CE-CE2 3.83Å; M402-F406 HydrophobicContact CE-CZ 3.9Å; M402-F406 HydrophobicContact SD-CE2 3.98Å; M402-F406 HydrophobicContact SD-CZ 4.42Å; F406-N409 PolarHBondContact O-N 3.05Å; F406-M410 PolarHBondContact O-N 3.3Å |
| 407 | E | 52.8 | Low | 58.6 | Low | 170 Ų | 170 | 118.8 Ų | 118.8 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.8 | -50.1 | -175.6 | -76.7 | 179.6 | 133.4 | 0 | 0 | 113 | N409 M410 E411 | E407-N409 PolarHBondContact O-N 2.85Å; E407-N409 VanDerWaalsContact O-N 3.12Å; E407-M410 WeakPolarHBondContact O-CB 3.49Å; E407-M410 PolarHBondContact O-N 2.93Å; E407-E411 PolarHBondContact O-N 2.91Å |
| 408 | E | 56.4 | Low | 60.5 | Low | 144 Ų | 144 | 121.6 Ų | 121.6 | 67% | 0.673 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -57.8 | -30 | 176.6 | -66.7 | -174 | 160.8 | 0 | 0 | 112.6 | M410 Q412 | E408-M410 VanDerWaalsContact C-N 3.32Å; E408-Q412 VanDerWaalsContact O-CG 3.27Å; E408-Q412 WeakPolarHBondContact O-CG 3.37Å; E408-Q412 PolarHBondContact O-N 3.31Å |
| 409 | N | 69 | Low | 62.7 | Low | 78 Ų | 78 | 118.4 Ų | 118.4 | 42% | 0.417 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.5 | -27.5 | 177.9 | -148.4 | -98.6 | 0 | 0 | 0 | 112.2 | F406 E407 K413 | F406-N409 PolarHBondContact O-N 3.05Å; E407-N409 PolarHBondContact O-N 2.85Å; E407-N409 VanDerWaalsContact O-N 3.12Å; N409-K413 WeakPolarHBondContact O-CB 3.27Å; N409-K413 VanDerWaalsContact O-CG 3.28Å; N409-K413 WeakPolarHBondContact O-CG 3.42Å; N409-K413 PolarHBondContact O-N 3.37Å; N409-K413 VanDerWaalsContact O-N 3.17Å; N409-K413 VanDerWaalsContact OD1-CE 3.28Å; N409-K413 WeakPolarHBondContact OD1-CE 3.16Å |
| 410 | M | 75.1 | Confident | 64.3 | Low | 133 Ų | 133 | 115.4 Ų | 115.4 | 66% | 0.655 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.5 | -42.8 | -177.6 | -146.1 | -176.7 | -65.1 | 0 | 0 | 111.7 | F406 E407 E408 Q412 K413 A414 | F406-M410 PolarHBondContact O-N 3.3Å; E407-M410 WeakPolarHBondContact O-CB 3.49Å; E407-M410 PolarHBondContact O-N 2.93Å; E408-M410 VanDerWaalsContact C-N 3.32Å; M410-Q412 PolarHBondContact O-N 2.98Å; M410-K413 PolarHBondContact O-N 3.19Å; M410-A414 PolarHBondContact O-N 2.88Å |
| 411 | E | 75.9 | Confident | 66.6 | Low | 148 Ų | 148 | 117.3 Ų | 117.3 | 69% | 0.692 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.9 | -39.3 | 174.1 | -69.5 | -166.9 | 147.6 | 0 | 0 | 112.5 | E407 A414 T415 | E407-E411 PolarHBondContact O-N 2.91Å; E411-A414 PolarHBondContact O-N 2.97Å; E411-T415 WeakPolarHBondContact O-CB 3.45Å; E411-T415 PolarHBondContact O-N 3.15Å; E411-T415 PolarHBondContact O-OG1 2.93Å |
| 412 | Q | 71.9 | Confident | 69 | Low | 118 Ų | 118 | 115 Ų | 115 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63 | -43.9 | 175 | -72.3 | 176.3 | 16.8 | 0 | 0 | 111.4 | E408 M410 T415 I416 | E408-Q412 VanDerWaalsContact O-CG 3.27Å; E408-Q412 WeakPolarHBondContact O-CG 3.37Å; E408-Q412 PolarHBondContact O-N 3.31Å; M410-Q412 PolarHBondContact O-N 2.98Å; Q412-T415 PolarHBondContact O-N 2.71Å; Q412-I416 VanDerWaalsContact O-CG1 3.31Å; Q412-I416 WeakPolarHBondContact O-CG1 3.36Å; Q412-I416 PolarHBondContact O-N 3.36Å |
| 413 | K | 77.3 | Confident | 71.3 | Confident | 133 Ų | 133 | 113.2 Ų | 113.2 | 58% | 0.578 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.4 | -45.5 | 174.7 | -78.3 | 174.7 | 176.1 | -177.5 | 0 | 112.6 | N409 M410 T415 I416 A417 | N409-K413 WeakPolarHBondContact O-CB 3.27Å; N409-K413 VanDerWaalsContact O-CG 3.28Å; N409-K413 WeakPolarHBondContact O-CG 3.42Å; N409-K413 PolarHBondContact O-N 3.37Å; N409-K413 VanDerWaalsContact O-N 3.17Å; N409-K413 VanDerWaalsContact OD1-CE 3.28Å; N409-K413 WeakPolarHBondContact OD1-CE 3.16Å; M410-K413 PolarHBondContact O-N 3.19Å; K413-T415 VanDerWaalsContact C-N 3.28Å; K413-T415 PolarHBondContact O-N 3.39Å; K413-I416 PolarHBondContact O-N 2.98Å; K413-A417 PolarHBondContact O-N 3.31Å |
| 414 | A | 81.8 | Confident | 73.2 | Confident | 63 Ų | 63 | 113 Ų | 113 | 52% | 0.521 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.8 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | M410 E411 H418 | M410-A414 PolarHBondContact O-N 2.88Å; E411-A414 PolarHBondContact O-N 2.97Å; A414-H418 PolarHBondContact O-N 2.85Å |
| 415 | T | 81.3 | Confident | 75.3 | Confident | 83 Ų | 83 | 110.6 Ų | 110.6 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65 | -43.3 | 175.7 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | E411 Q412 K413 H418 L419 | E411-T415 WeakPolarHBondContact O-CB 3.45Å; E411-T415 PolarHBondContact O-N 3.15Å; E411-T415 PolarHBondContact O-OG1 2.93Å; Q412-T415 PolarHBondContact O-N 2.71Å; K413-T415 VanDerWaalsContact C-N 3.28Å; K413-T415 PolarHBondContact O-N 3.39Å; T415-H418 PolarHBondContact O-N 2.7Å; T415-L419 HydrophobicContact CG2-CD1 4.23Å; T415-L419 WeakPolarHBondContact O-CG 3.48Å; T415-L419 PolarHBondContact O-N 3.26Å |
| 416 | I | 78.2 | Confident | 77 | Confident | 92 Ų | 92 | 111.6 Ų | 111.6 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -49.5 | 176.1 | -68.6 | 163.2 | 0 | 0 | 0 | 110.6 | Q412 K413 H418 L419 E420 | Q412-I416 VanDerWaalsContact O-CG1 3.31Å; Q412-I416 WeakPolarHBondContact O-CG1 3.36Å; Q412-I416 PolarHBondContact O-N 3.36Å; K413-I416 PolarHBondContact O-N 2.98Å; I416-H418 VanDerWaalsContact C-N 3.3Å; I416-H418 PolarHBondContact O-N 3.3Å; I416-L419 PolarHBondContact O-N 2.75Å; I416-L419 VanDerWaalsContact O-N 3.12Å; I416-E420 HydrophobicContact CG2-CG 4.37Å; I416-E420 WeakPolarHBondContact O-CG 3.31Å; I416-E420 PolarHBondContact O-N 3.47Å |
| 417 | A | 83.1 | Confident | 78.8 | Confident | 55 Ų | 55 | 110.5 Ų | 110.5 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K413 E420 K421 | K413-A417 PolarHBondContact O-N 3.31Å; A417-E420 PolarHBondContact O-N 3.46Å; A417-K421 WeakPolarHBondContact O-CB 3.5Å; A417-K421 PolarHBondContact O-N 3.2Å |
| 418 | H | 86.6 | Confident | 80.4 | Confident | 131 Ų | 131 | 110 Ų | 110 | 61% | 0.606 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66 | -41.8 | 174.8 | -175.9 | 64.3 | 0 | 0 | 0 | 113.1 | A414 T415 I416 K421 K422 | A414-H418 PolarHBondContact O-N 2.85Å; T415-H418 PolarHBondContact O-N 2.7Å; I416-H418 VanDerWaalsContact C-N 3.3Å; I416-H418 PolarHBondContact O-N 3.3Å; H418-K421 PolarHBondContact O-N 2.72Å; H418-K422 PolarHBondContact NE2-NZ 2.93Å; H418-K422 VanDerWaalsContact NE2-NZ 3.14Å; H418-K422 PolarHBondContact O-N 2.97Å |
| 419 | L | 81.9 | Confident | 81.6 | Confident | 107 Ų | 107 | 106.9 Ų | 106.9 | 56% | 0.56 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -41.1 | 175.7 | -72.3 | 172 | 0 | 0 | 0 | 111.5 | T415 I416 K422 N423 | T415-L419 HydrophobicContact CG2-CD1 4.23Å; T415-L419 WeakPolarHBondContact O-CG 3.48Å; T415-L419 PolarHBondContact O-N 3.26Å; I416-L419 PolarHBondContact O-N 2.75Å; I416-L419 VanDerWaalsContact O-N 3.12Å; L419-K422 PolarHBondContact O-N 3.12Å; L419-N423 WeakPolarHBondContact O-CB 3.28Å; L419-N423 PolarHBondContact O-N 3.26Å |
| 420 | E | 83 | Confident | 82.2 | Confident | 104 Ų | 104 | 106.6 Ų | 106.6 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 175.9 | -71.4 | -177.8 | 173.7 | 0 | 0 | 112.4 | I416 A417 K422 N423 R424 | I416-E420 HydrophobicContact CG2-CG 4.37Å; I416-E420 WeakPolarHBondContact O-CG 3.31Å; I416-E420 PolarHBondContact O-N 3.47Å; A417-E420 PolarHBondContact O-N 3.46Å; E420-K422 PolarHBondContact O-N 3.12Å; E420-N423 WeakPolarHBondContact O-CB 3.09Å; E420-N423 PolarHBondContact O-N 3.38Å; E420-N423 VanDerWaalsContact O-N 3.16Å; E420-R424 WeakPolarHBondContact O-CG 3.39Å; E420-R424 PolarHBondContact O-N 3.42Å |
| 421 | K | 88.5 | Confident | 82.6 | Confident | 139 Ų | 139 | 106.4 Ų | 106.4 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.1 | -45.5 | 174.4 | -174.5 | 169.8 | -178.3 | 167.8 | 0 | 111.6 | A417 H418 N423 R424 E425 | A417-K421 WeakPolarHBondContact O-CB 3.5Å; A417-K421 PolarHBondContact O-N 3.2Å; H418-K421 PolarHBondContact O-N 2.72Å; K421-N423 VanDerWaalsContact C-N 3.34Å; K421-N423 PolarHBondContact O-N 2.95Å; K421-R424 PolarHBondContact O-N 2.99Å; K421-E425 PolarHBondContact O-N 3.01Å; K421-E425 VanDerWaalsContact O-N 3.14Å |
| 422 | K | 87 | Confident | 83.2 | Confident | 92 Ų | 92 | 105.3 Ų | 105.3 | 40% | 0.4 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 173.4 | -80.9 | -177.5 | 171.4 | 178.1 | 0 | 112.9 | H418 L419 E420 E425 I426 | H418-K422 PolarHBondContact NE2-NZ 2.93Å; H418-K422 VanDerWaalsContact NE2-NZ 3.14Å; H418-K422 PolarHBondContact O-N 2.97Å; L419-K422 PolarHBondContact O-N 3.12Å; E420-K422 PolarHBondContact O-N 3.12Å; K422-E425 PolarHBondContact O-N 2.78Å; K422-I426 WeakPolarHBondContact O-CG1 3.35Å; K422-I426 PolarHBondContact O-N 3.2Å |
| 423 | N | 84.7 | Confident | 83.6 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 178.1 | -153.8 | 2.9 | 0 | 0 | 0 | 111.3 | L419 E420 K421 E425 I426 L427 | L419-N423 WeakPolarHBondContact O-CB 3.28Å; L419-N423 PolarHBondContact O-N 3.26Å; E420-N423 WeakPolarHBondContact O-CB 3.09Å; E420-N423 PolarHBondContact O-N 3.38Å; E420-N423 VanDerWaalsContact O-N 3.16Å; K421-N423 VanDerWaalsContact C-N 3.34Å; K421-N423 PolarHBondContact O-N 2.95Å; N423-E425 VanDerWaalsContact C-N 3.32Å; N423-E425 PolarHBondContact O-N 3.02Å; N423-I426 PolarHBondContact O-N 3.12Å; N423-L427 WeakPolarHBondContact O-CG 3.29Å; N423-L427 PolarHBondContact O-N 3.46Å |
| 424 | R | 87 | Confident | 83.8 | Confident | 131 Ų | 131 | 101.9 Ų | 101.9 | 49% | 0.494 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 171.7 | -67.8 | -166.6 | -71.6 | -90.6 | 19.1 | 112.3 | E420 K421 R428 | E420-R424 WeakPolarHBondContact O-CG 3.39Å; E420-R424 PolarHBondContact O-N 3.42Å; K421-R424 PolarHBondContact O-N 2.99Å; R424-R428 PolarHBondContact O-N 2.82Å |
| 425 | E | 86.6 | Confident | 83.6 | Confident | 112 Ų | 112 | 101.9 Ų | 101.9 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.8 | -45.7 | 177.9 | -172.7 | 173.6 | -158.4 | 0 | 0 | 112.8 | K421 K422 N423 L427 R428 E429 | K421-E425 PolarHBondContact O-N 3.01Å; K421-E425 VanDerWaalsContact O-N 3.14Å; K422-E425 PolarHBondContact O-N 2.78Å; N423-E425 VanDerWaalsContact C-N 3.32Å; N423-E425 PolarHBondContact O-N 3.02Å; E425-L427 VanDerWaalsContact C-N 3.32Å; E425-L427 PolarHBondContact O-N 3.42Å; E425-R428 PolarHBondContact O-N 3.33Å; E425-E429 PolarHBondContact O-N 2.96Å |
| 426 | I | 83.2 | Confident | 83.5 | Confident | 98 Ų | 98 | 102.7 Ų | 102.7 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 176.3 | -69.4 | 164.9 | 0 | 0 | 0 | 111.1 | K422 N423 E429 I430 | K422-I426 WeakPolarHBondContact O-CG1 3.35Å; K422-I426 PolarHBondContact O-N 3.2Å; N423-I426 PolarHBondContact O-N 3.12Å; I426-E429 PolarHBondContact O-N 3.06Å; I426-I430 HydrophobicContact CG2-CD1 3.84Å; I426-I430 HydrophobicContact CG2-CG1 4.43Å; I426-I430 WeakPolarHBondContact O-CG1 3.34Å; I426-I430 PolarHBondContact O-N 3.32Å |
| 427 | L | 82.4 | Confident | 83.3 | Confident | 94 Ų | 94 | 104.4 Ų | 104.4 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 177.2 | -73.1 | 168.3 | 0 | 0 | 0 | 112.6 | N423 E425 I430 H431 | N423-L427 WeakPolarHBondContact O-CG 3.29Å; N423-L427 PolarHBondContact O-N 3.46Å; E425-L427 VanDerWaalsContact C-N 3.32Å; E425-L427 PolarHBondContact O-N 3.42Å; L427-I430 PolarHBondContact O-N 2.97Å; L427-H431 PolarHBondContact O-CD2 2.9Å; L427-H431 PolarHBondContact O-N 2.88Å; L427-H431 VanDerWaalsContact O-N 3.07Å |
| 428 | R | 87.5 | Confident | 82.8 | Confident | 158 Ų | 158 | 105.2 Ų | 105.2 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 172.6 | -79.6 | -170.1 | -93.4 | 101.2 | -9.4 | 111.8 | R424 E425 H431 R432 | R424-R428 PolarHBondContact O-N 2.82Å; E425-R428 PolarHBondContact O-N 3.33Å; R428-H431 PolarHBondContact O-N 3.41Å; R428-R432 PolarHBondContact O-N 2.95Å |
| 429 | E | 82 | Confident | 82 | Confident | 79 Ų | 79 | 101.8 Ų | 101.8 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.7 | -37.8 | 178.9 | -176.1 | 59.1 | -169.3 | 0 | 0 | 112.5 | E425 I426 H431 R432 L433 | E425-E429 PolarHBondContact O-N 2.96Å; I426-E429 PolarHBondContact O-N 3.06Å; E429-H431 PolarHBondContact O-N 3.35Å; E429-R432 PolarHBondContact O-N 3.02Å; E429-R432 IonicContact OE1-CZ 2.65Å; E429-R432 IonicContact OE1-NE 3.56Å; E429-R432 PolarHBondContact OE1-NE 2.9Å; E429-R432 IonicContact OE1-NH2 3.31Å; E429-R432 PolarHBondContact OE1-NH2 2.91Å; E429-R432 IonicContact OE2-CZ 2.61Å; E429-R432 IonicContact OE2-NE 2.7Å; E429-R432 PolarHBondContact OE2-NE 3.2Å; E429-R432 IonicContact OE2-NH2 3.09Å; E429-L433 HydrophobicContact CG-CD1 4.08Å; E429-L433 HydrophobicContact CG-CG 4.44Å; E429-L433 WeakPolarHBondContact O-CB 3.44Å; E429-L433 VanDerWaalsContact O-CG 3.3Å; E429-L433 WeakPolarHBondContact O-CG 3.24Å; E429-L433 PolarHBondContact O-N 3.16Å |
| 430 | I | 81.5 | Confident | 81.5 | Confident | 73 Ų | 73 | 99.5 Ų | 99.5 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.1 | -47 | 172.8 | -71.2 | 166.5 | 0 | 0 | 0 | 110.7 | I426 L427 R432 L433 Q434 | I426-I430 HydrophobicContact CG2-CD1 3.84Å; I426-I430 HydrophobicContact CG2-CG1 4.43Å; I426-I430 WeakPolarHBondContact O-CG1 3.34Å; I426-I430 PolarHBondContact O-N 3.32Å; L427-I430 PolarHBondContact O-N 2.97Å; I430-R432 PolarHBondContact O-N 2.89Å; I430-L433 PolarHBondContact O-N 2.64Å; I430-Q434 HydrophobicContact CG2-CG 4.48Å; I430-Q434 WeakPolarHBondContact O-CB 3.41Å; I430-Q434 VanDerWaalsContact O-CG 3.31Å; I430-Q434 WeakPolarHBondContact O-CG 3.32Å; I430-Q434 PolarHBondContact O-N 2.96Å |
| 431 | H | 82.5 | Confident | 80.6 | Confident | 129 Ų | 129 | 98 Ų | 98 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 176.5 | -85.8 | -127.7 | 0 | 0 | 0 | 112 | L427 R428 E429 Q434 A435 | L427-H431 PolarHBondContact O-CD2 2.9Å; L427-H431 PolarHBondContact O-N 2.88Å; L427-H431 VanDerWaalsContact O-N 3.07Å; R428-H431 PolarHBondContact O-N 3.41Å; E429-H431 PolarHBondContact O-N 3.35Å; H431-Q434 PolarHBondContact O-N 3.48Å; H431-A435 WeakPolarHBondContact O-CB 3.49Å; H431-A435 PolarHBondContact O-N 3.19Å |
| 432 | R | 88.4 | Confident | 79.3 | Confident | 124 Ų | 124 | 97.4 Ų | 97.4 | 47% | 0.468 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.7 | -164.1 | -172.6 | 72.7 | 78.7 | 6.3 | 111.8 | R428 E429 I430 A435 M436 | R428-R432 PolarHBondContact O-N 2.95Å; E429-R432 PolarHBondContact O-N 3.02Å; E429-R432 IonicContact OE1-CZ 2.65Å; E429-R432 IonicContact OE1-NE 3.56Å; E429-R432 PolarHBondContact OE1-NE 2.9Å; E429-R432 IonicContact OE1-NH2 3.31Å; E429-R432 PolarHBondContact OE1-NH2 2.91Å; E429-R432 IonicContact OE2-CZ 2.61Å; E429-R432 IonicContact OE2-NE 2.7Å; E429-R432 PolarHBondContact OE2-NE 3.2Å; E429-R432 IonicContact OE2-NH2 3.09Å; I430-R432 PolarHBondContact O-N 2.89Å; R432-A435 PolarHBondContact O-N 3.42Å; R432-M436 PolarHBondContact NH1-SD 3.36Å; R432-M436 WeakPolarHBondContact O-CG 3.34Å; R432-M436 PolarHBondContact O-N 3.46Å |
| 433 | L | 81.1 | Confident | 78 | Confident | 78 Ų | 78 | 96.1 Ų | 96.1 | 41% | 0.408 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 178.4 | -69.1 | 170.5 | 0 | 0 | 0 | 112.4 | E429 I430 M436 Q437 | E429-L433 HydrophobicContact CG-CD1 4.08Å; E429-L433 HydrophobicContact CG-CG 4.44Å; E429-L433 WeakPolarHBondContact O-CB 3.44Å; E429-L433 VanDerWaalsContact O-CG 3.3Å; E429-L433 WeakPolarHBondContact O-CG 3.24Å; E429-L433 PolarHBondContact O-N 3.16Å; I430-L433 PolarHBondContact O-N 2.64Å; L433-M436 PolarHBondContact O-N 3.06Å; L433-Q437 PolarHBondContact O-N 3.25Å |
| 434 | Q | 81 | Confident | 76.6 | Confident | 102 Ų | 102 | 95 Ų | 95 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 174 | -74.6 | 173.7 | -13 | 0 | 0 | 112.3 | I430 H431 Q437 S438 | I430-Q434 HydrophobicContact CG2-CG 4.48Å; I430-Q434 WeakPolarHBondContact O-CB 3.41Å; I430-Q434 VanDerWaalsContact O-CG 3.31Å; I430-Q434 WeakPolarHBondContact O-CG 3.32Å; I430-Q434 PolarHBondContact O-N 2.96Å; H431-Q434 PolarHBondContact O-N 3.48Å; Q434-Q437 PolarHBondContact O-N 3.17Å; Q434-S438 WeakPolarHBondContact O-CB 3.2Å; Q434-S438 PolarHBondContact O-N 3.3Å; Q434-S438 PolarHBondContact O-OG 3.11Å |
| 435 | A | 78.2 | Confident | 75.2 | Confident | 63 Ų | 63 | 96.1 Ų | 96.1 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | H431 R432 S438 A439 | H431-A435 WeakPolarHBondContact O-CB 3.49Å; H431-A435 PolarHBondContact O-N 3.19Å; R432-A435 PolarHBondContact O-N 3.42Å; A435-S438 PolarHBondContact O-N 2.9Å; A435-A439 PolarHBondContact O-N 2.61Å |
| 436 | M | 79.2 | Confident | 73.6 | Confident | 99 Ų | 99 | 95.1 Ų | 95.1 | 49% | 0.488 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 174 | -72.7 | -176.2 | 70.6 | 0 | 0 | 112.2 | R432 L433 S438 A439 T440 | R432-M436 PolarHBondContact NH1-SD 3.36Å; R432-M436 WeakPolarHBondContact O-CG 3.34Å; R432-M436 PolarHBondContact O-N 3.46Å; L433-M436 PolarHBondContact O-N 3.06Å; M436-S438 VanDerWaalsContact C-N 3.26Å; M436-S438 PolarHBondContact O-N 2.71Å; M436-A439 PolarHBondContact O-N 3.17Å; M436-A439 VanDerWaalsContact O-N 3.16Å; M436-T440 PolarHBondContact O-N 3.45Å; M436-T440 PolarHBondContact O-OG1 3.47Å; M436-T440 VanDerWaalsContact O-OG1 3.11Å |
| 437 | Q | 73.9 | Confident | 71.9 | Confident | 129 Ų | 129 | 94.2 Ų | 94.2 | 60% | 0.603 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.5 | -36.8 | 177.7 | -78.8 | -175.3 | -12.9 | 0 | 0 | 112.7 | L433 Q434 S441 | L433-Q437 PolarHBondContact O-N 3.25Å; Q434-Q437 PolarHBondContact O-N 3.17Å; Q437-S441 VanDerWaalsContact O-CB 3.31Å; Q437-S441 WeakPolarHBondContact O-CB 3.45Å; Q437-S441 PolarHBondContact O-N 3.03Å; Q437-S441 PolarHBondContact O-OG 2.99Å |
| 438 | S | 72.5 | Confident | 69.8 | Low | 71 Ų | 71 | 95.5 Ų | 95.5 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 176.7 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | Q434 A435 M436 S441 L442 | Q434-S438 WeakPolarHBondContact O-CB 3.2Å; Q434-S438 PolarHBondContact O-N 3.3Å; Q434-S438 PolarHBondContact O-OG 3.11Å; A435-S438 PolarHBondContact O-N 2.9Å; M436-S438 VanDerWaalsContact C-N 3.26Å; M436-S438 PolarHBondContact O-N 2.71Å; S438-S441 PolarHBondContact O-N 3.26Å; S438-L442 WeakPolarHBondContact O-CG 3.31Å; S438-L442 PolarHBondContact O-N 2.9Å; S438-L442 VanDerWaalsContact O-N 3.12Å |
| 439 | A | 70.8 | Confident | 67.7 | Low | 59 Ų | 59 | 90.9 Ų | 90.9 | 49% | 0.488 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A435 M436 S441 L442 S443 | A435-A439 PolarHBondContact O-N 2.61Å; M436-A439 PolarHBondContact O-N 3.17Å; M436-A439 VanDerWaalsContact O-N 3.16Å; A439-S441 VanDerWaalsContact C-N 3.33Å; A439-S441 PolarHBondContact O-N 3.13Å; A439-L442 PolarHBondContact O-N 3.1Å; A439-S443 PolarHBondContact O-N 2.71Å; A439-S443 PolarHBondContact O-OG 3.2Å |
| 440 | T | 70.2 | Confident | 66 | Low | 60 Ų | 60 | 94.5 Ų | 94.5 | 37% | 0.368 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.4 | -38 | 178 | -54 | 0 | 0 | 0 | 0 | 112.1 | M436 L442 S443 A444 | M436-T440 PolarHBondContact O-N 3.45Å; M436-T440 PolarHBondContact O-OG1 3.47Å; M436-T440 VanDerWaalsContact O-OG1 3.11Å; T440-L442 VanDerWaalsContact C-N 3.35Å; T440-S443 WeakPolarHBondContact CA-OG 3.42Å; T440-S443 PolarHBondContact O-N 2.89Å; T440-S443 PolarHBondContact O-OG 2.97Å; T440-A444 WeakPolarHBondContact O-CB 3.47Å; T440-A444 PolarHBondContact O-N 3.3Å |
| 441 | S | 63.7 | Low | 64.5 | Low | 72 Ų | 72 | 92.6 Ų | 92.6 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.5 | -37.2 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | Q437 S438 A439 L445 | Q437-S441 VanDerWaalsContact O-CB 3.31Å; Q437-S441 WeakPolarHBondContact O-CB 3.45Å; Q437-S441 PolarHBondContact O-N 3.03Å; Q437-S441 PolarHBondContact O-OG 2.99Å; S438-S441 PolarHBondContact O-N 3.26Å; A439-S441 VanDerWaalsContact C-N 3.33Å; A439-S441 PolarHBondContact O-N 3.13Å; S441-L445 WeakPolarHBondContact O-CD1 3.37Å; S441-L445 WeakPolarHBondContact O-CG 3.44Å; S441-L445 PolarHBondContact O-N 3.31Å |
| 442 | L | 61.6 | Low | 63.3 | Low | 126 Ų | 126 | 93.5 Ų | 93.5 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.2 | -42.4 | 174.5 | -77.6 | 163.1 | 0 | 0 | 0 | 112.1 | S438 A439 T440 L445 | S438-L442 WeakPolarHBondContact O-CG 3.31Å; S438-L442 PolarHBondContact O-N 2.9Å; S438-L442 VanDerWaalsContact O-N 3.12Å; A439-L442 PolarHBondContact O-N 3.1Å; T440-L442 VanDerWaalsContact C-N 3.35Å; L442-L445 PolarHBondContact O-N 3.07Å |
| 443 | S | 59.5 | Low | 62.4 | Low | 65 Ų | 65 | 96.1 Ų | 96.1 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.4 | -38.8 | 177.9 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | A439 T440 L445 S446 A447 | A439-S443 PolarHBondContact O-N 2.71Å; A439-S443 PolarHBondContact O-OG 3.2Å; T440-S443 WeakPolarHBondContact CA-OG 3.42Å; T440-S443 PolarHBondContact O-N 2.89Å; T440-S443 PolarHBondContact O-OG 2.97Å; S443-L445 VanDerWaalsContact C-N 3.27Å; S443-L445 PolarHBondContact O-N 3.27Å; S443-S446 PolarHBondContact O-N 2.87Å; S443-S446 VanDerWaalsContact O-N 3.08Å; S443-S446 PolarHBondContact O-OG 3.22Å; S443-A447 PolarHBondContact O-N 3.32Å |
| 444 | A | 56.7 | Low | 61.9 | Low | 73 Ų | 73 | 95.8 Ų | 95.8 | 60% | 0.603 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63 | -30 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | T440 S446 | T440-A444 WeakPolarHBondContact O-CB 3.47Å; T440-A444 PolarHBondContact O-N 3.3Å; A444-S446 VanDerWaalsContact C-N 3.28Å; A444-S446 PolarHBondContact O-N 3.42Å |
| 445 | L | 55.8 | Low | 61.3 | Low | 155 Ų | 155 | 95.1 Ų | 95.1 | 81% | 0.812 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -12.7 | 176.3 | -72.5 | 165.2 | 0 | 0 | 0 | 113.7 | S441 L442 S443 | S441-L445 WeakPolarHBondContact O-CD1 3.37Å; S441-L445 WeakPolarHBondContact O-CG 3.44Å; S441-L445 PolarHBondContact O-N 3.31Å; L442-L445 PolarHBondContact O-N 3.07Å; S443-L445 VanDerWaalsContact C-N 3.27Å; S443-L445 PolarHBondContact O-N 3.27Å |
| 446 | S | 54.4 | Low | 61.1 | Low | 90 Ų | 90 | 94.4 Ų | 94.4 | 63% | 0.629 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -8.2 | -177.1 | 53.8 | 0 | 0 | 0 | 0 | 115.2 | S443 A444 S448 | S443-S446 PolarHBondContact O-N 2.87Å; S443-S446 VanDerWaalsContact O-N 3.08Å; S443-S446 PolarHBondContact O-OG 3.22Å; A444-S446 VanDerWaalsContact C-N 3.28Å; A444-S446 PolarHBondContact O-N 3.42Å; S446-S448 PolarHBondContact O-N 3.07Å |
| 447 | A | 47.4 | Very low | 61.2 | Low | 80 Ų | 80 | 92.7 Ų | 92.7 | 66% | 0.661 | 61% | 0.605 | S | S | * | * | trans | -91.7 | 66.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S443 G449 | S443-A447 PolarHBondContact O-N 3.32Å; A447-G449 PolarHBondContact O-N 3.44Å | ||
| 448 | S | 37.7 | Very low | 61.5 | Low | 121 Ų | 121 | 92 Ų | 92 | 85% | 0.846 | 60% | 0.602 | S | S | * | * | trans | -83.3 | 105.3 | 172 | 60 | 0 | 0 | 0 | 0 | 111.6 | S446 | S446-S448 PolarHBondContact O-N 3.07Š| ||
| 449 | G | 43.2 | Very low | 61.6 | Low | 60 Ų | 60 | 92.5 Ų | 92.5 | 62% | 0.619 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 132.6 | 127.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115 | A447 | A447-G449 PolarHBondContact O-N 3.44Š|
| 450 | T | 46.1 | Very low | 62.2 | Low | 155 Ų | 155 | 94 Ų | 94 | 95% | 0.951 | 60% | 0.598 | S | S | * | * | S | Bend | trans | 54.6 | 73.4 | 165.8 | 59.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 451 | G | 51.8 | Low | 62.9 | Low | 33 Ų | 33 | 96.4 Ų | 96.4 | 34% | 0.34 | 61% | 0.609 | S | S | . | * | trans | -173.7 | 11.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | E453 A454 V455 | G451-E453 VanDerWaalsContact C-N 3.29Å; G451-E453 PolarHBondContact O-N 2.97Å; G451-A454 PolarHBondContact O-N 3.4Å; G451-V455 PolarHBondContact O-N 3.05Å; G451-V455 VanDerWaalsContact O-N 3.08Å | ||
| 452 | D | 56.8 | Low | 63.8 | Low | 149 Ų | 149 | 97.2 Ų | 97.2 | 80% | 0.797 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -53.6 | -36.2 | -163.5 | -68.3 | -30.9 | 0 | 0 | 0 | 115.4 | A456 | D452-A456 WeakPolarHBondContact O-CB 3.49Å; D452-A456 PolarHBondContact O-N 2.93Å |
| 453 | E | 68.1 | Low | 64.9 | Low | 178 Ų | 178 | 98.1 Ų | 98.1 | 83% | 0.832 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.1 | -35 | -179.8 | -164.3 | 168.1 | -162 | 0 | 0 | 112.7 | G451 A457 | G451-E453 VanDerWaalsContact C-N 3.29Å; G451-E453 PolarHBondContact O-N 2.97Å; E453-A457 WeakPolarHBondContact O-CB 3.44Å; E453-A457 PolarHBondContact O-N 3.28Å; E453-A457 VanDerWaalsContact O-N 3.08Å |
| 454 | A | 71.5 | Confident | 66.1 | Low | 71 Ų | 71 | 97.9 Ų | 97.9 | 59% | 0.587 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.7 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | G451 A457 E458 | G451-A454 PolarHBondContact O-N 3.4Å; A454-A457 PolarHBondContact O-N 3.06Å; A454-E458 PolarHBondContact O-N 3.35Å |
| 455 | V | 68.8 | Low | 67.5 | Low | 88 Ų | 88 | 102.2 Ų | 102.2 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.2 | -37.3 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | G451 E458 L459 | G451-V455 PolarHBondContact O-N 3.05Å; G451-V455 VanDerWaalsContact O-N 3.08Å; V455-E458 PolarHBondContact O-N 2.98Å; V455-L459 VanDerWaalsContact O-CB 3.27Å; V455-L459 WeakPolarHBondContact O-CB 3.42Å; V455-L459 PolarHBondContact O-N 3.42Å |
| 456 | A | 73.1 | Confident | 68.8 | Low | 49 Ų | 49 | 100.3 Ų | 100.3 | 41% | 0.405 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.7 | -44.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D452 E458 L459 D460 | D452-A456 WeakPolarHBondContact O-CB 3.49Å; D452-A456 PolarHBondContact O-N 2.93Å; A456-E458 PolarHBondContact O-N 2.86Å; A456-L459 PolarHBondContact O-N 3.47Å; A456-D460 PolarHBondContact O-N 3.11Å |
| 457 | A | 81 | Confident | 70.2 | Confident | 63 Ų | 63 | 98.6 Ų | 98.6 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E453 A454 N461 | E453-A457 WeakPolarHBondContact O-CB 3.44Å; E453-A457 PolarHBondContact O-N 3.28Å; E453-A457 VanDerWaalsContact O-N 3.08Å; A454-A457 PolarHBondContact O-N 3.06Å; A457-N461 WeakPolarHBondContact O-CB 3.38Å; A457-N461 PolarHBondContact O-N 3.4Å |
| 458 | E | 80.2 | Confident | 72.1 | Confident | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.1 | -42.3 | 174.5 | -172.8 | 170.6 | -169.6 | 0 | 0 | 111.7 | A454 V455 A456 D460 N461 L462 | A454-E458 PolarHBondContact O-N 3.35Å; V455-E458 PolarHBondContact O-N 2.98Å; A456-E458 PolarHBondContact O-N 2.86Å; E458-D460 PolarHBondContact O-N 2.92Å; E458-N461 PolarHBondContact O-N 2.92Å; E458-L462 HydrophobicContact CG-CD1 4.17Å; E458-L462 HydrophobicContact CG-CG 4.5Å; E458-L462 WeakPolarHBondContact O-CB 3.41Å; E458-L462 VanDerWaalsContact O-CG 3.29Å; E458-L462 WeakPolarHBondContact O-CG 3.33Å; E458-L462 PolarHBondContact O-N 3.05Å |
| 459 | L | 75 | Confident | 74.2 | Confident | 81 Ų | 81 | 97.6 Ų | 97.6 | 42% | 0.424 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61 | -41.7 | 176.9 | -173.8 | 68.2 | 0 | 0 | 0 | 112.3 | V455 A456 L462 R463 | V455-L459 VanDerWaalsContact O-CB 3.27Å; V455-L459 WeakPolarHBondContact O-CB 3.42Å; V455-L459 PolarHBondContact O-N 3.42Å; A456-L459 PolarHBondContact O-N 3.47Å; L459-L462 PolarHBondContact O-N 3.2Å; L459-R463 VanDerWaalsContact O-CG 3.26Å; L459-R463 WeakPolarHBondContact O-CG 3.07Å; L459-R463 PolarHBondContact O-N 3.26Å |
| 460 | D | 83.7 | Confident | 76.1 | Confident | 90 Ų | 90 | 99.7 Ų | 99.7 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.6 | -34 | 176.8 | -79.5 | -14.6 | 0 | 0 | 0 | 112.6 | A456 E458 R463 A464 | A456-D460 PolarHBondContact O-N 3.11Å; E458-D460 PolarHBondContact O-N 2.92Å; D460-R463 PolarHBondContact O-N 2.89Å; D460-R463 WeakPolarHBondContact OD1-CD 3.32Å; D460-R463 IonicContact OD1-CZ 3.7Å; D460-R463 IonicContact OD1-NE 3.96Å; D460-R463 IonicContact OD1-NH1 2.7Å; D460-R463 PolarHBondContact OD1-NH1 3.39Å; D460-A464 WeakPolarHBondContact O-CB 3.28Å; D460-A464 PolarHBondContact O-N 2.7Å |
| 461 | N | 85 | Confident | 78.1 | Confident | 110 Ų | 110 | 98.4 Ų | 98.4 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 171.8 | -157.8 | -25.3 | 0 | 0 | 0 | 111.4 | A457 E458 A464 R465 | A457-N461 WeakPolarHBondContact O-CB 3.38Å; A457-N461 PolarHBondContact O-N 3.4Å; E458-N461 PolarHBondContact O-N 2.92Å; N461-A464 PolarHBondContact O-N 3.21Å; N461-R465 WeakPolarHBondContact O-CB 3.46Å; N461-R465 PolarHBondContact O-N 3.42Å |
| 462 | L | 82.7 | Confident | 79.8 | Confident | 90 Ų | 90 | 103.6 Ų | 103.6 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 172.7 | -72.7 | 169.8 | 0 | 0 | 0 | 112.3 | E458 L459 K466 | E458-L462 HydrophobicContact CG-CD1 4.17Å; E458-L462 HydrophobicContact CG-CG 4.5Å; E458-L462 WeakPolarHBondContact O-CB 3.41Å; E458-L462 VanDerWaalsContact O-CG 3.29Å; E458-L462 WeakPolarHBondContact O-CG 3.33Å; E458-L462 PolarHBondContact O-N 3.05Å; L459-L462 PolarHBondContact O-N 3.2Å; L462-K466 WeakPolarHBondContact O-CB 3.32Å; L462-K466 PolarHBondContact O-N 2.97Å |
| 463 | R | 85.1 | Confident | 80.9 | Confident | 144 Ų | 144 | 101.8 Ų | 101.8 | 54% | 0.543 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 173.6 | -74.5 | 163.3 | 175 | 164.3 | -1.5 | 112.1 | L459 D460 K466 A467 | L459-R463 VanDerWaalsContact O-CG 3.26Å; L459-R463 WeakPolarHBondContact O-CG 3.07Å; L459-R463 PolarHBondContact O-N 3.26Å; D460-R463 PolarHBondContact O-N 2.89Å; D460-R463 WeakPolarHBondContact OD1-CD 3.32Å; D460-R463 IonicContact OD1-CZ 3.7Å; D460-R463 IonicContact OD1-NE 3.96Å; D460-R463 IonicContact OD1-NH1 2.7Å; D460-R463 PolarHBondContact OD1-NH1 3.39Å; R463-K466 PolarHBondContact O-N 2.96Å; R463-A467 PolarHBondContact O-N 3.4Å |
| 464 | A | 84.5 | Confident | 81.6 | Confident | 61 Ų | 61 | 97.7 Ų | 97.7 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D460 N461 K466 A467 E468 | D460-A464 WeakPolarHBondContact O-CB 3.28Å; D460-A464 PolarHBondContact O-N 2.7Å; N461-A464 PolarHBondContact O-N 3.21Å; A464-K466 VanDerWaalsContact C-N 3.35Å; A464-K466 PolarHBondContact O-N 2.85Å; A464-A467 PolarHBondContact O-N 3.33Å; A464-E468 PolarHBondContact O-N 3.49Å |
| 465 | R | 86.5 | Confident | 82.3 | Confident | 163 Ų | 163 | 100.2 Ų | 100.2 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.7 | -32.6 | 178 | -163 | 166.2 | -173.2 | 145.1 | 0.7 | 112.8 | N461 L469 | N461-R465 WeakPolarHBondContact O-CB 3.46Å; N461-R465 PolarHBondContact O-N 3.42Å; R465-L469 WeakPolarHBondContact O-CB 3.44Å; R465-L469 VanDerWaalsContact O-CG 3.3Å; R465-L469 WeakPolarHBondContact O-CG 3.07Å; R465-L469 PolarHBondContact O-N 3.22Å |
| 466 | K | 83.1 | Confident | 83.1 | Confident | 115 Ų | 115 | 101.7 Ų | 101.7 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 169.2 | -180 | 179.5 | 174.8 | -74.1 | 0 | 111.2 | L462 R463 A464 E468 L469 E470 | L462-K466 WeakPolarHBondContact O-CB 3.32Å; L462-K466 PolarHBondContact O-N 2.97Å; R463-K466 PolarHBondContact O-N 2.96Å; A464-K466 VanDerWaalsContact C-N 3.35Å; A464-K466 PolarHBondContact O-N 2.85Å; K466-E468 PolarHBondContact O-N 3.43Å; K466-L469 PolarHBondContact O-N 3.27Å; K466-E470 WeakPolarHBondContact CE-OE1 3.49Å; K466-E470 HydrophobicContact CG-CG 4.5Å; K466-E470 IonicContact NZ-OE1 2.67Å; K466-E470 PolarHBondContact NZ-OE1 3.47Å; K466-E470 IonicContact NZ-OE2 2.78Å; K466-E470 PolarHBondContact NZ-OE2 3.39Å; K466-E470 WeakPolarHBondContact O-CG 3.33Å; K466-E470 PolarHBondContact O-N 3.47Å |
| 467 | A | 83.2 | Confident | 83.5 | Confident | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | R463 A464 E470 L471 | R463-A467 PolarHBondContact O-N 3.4Å; A464-A467 PolarHBondContact O-N 3.33Å; A467-E470 PolarHBondContact O-N 3.45Å; A467-L471 WeakPolarHBondContact O-CB 3.37Å; A467-L471 PolarHBondContact O-N 3.06Å |
| 468 | E | 87.2 | Confident | 83.8 | Confident | 87 Ų | 87 | 104.9 Ų | 104.9 | 41% | 0.407 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 172.7 | -169.9 | -165.3 | 163.8 | 0 | 0 | 111.9 | A464 K466 L471 R472 | A464-E468 PolarHBondContact O-N 3.49Å; K466-E468 PolarHBondContact O-N 3.43Å; E468-L471 PolarHBondContact O-N 3.35Å; E468-R472 PolarHBondContact O-N 3.44Å; E468-R472 IonicContact OE1-CZ 3.39Å; E468-R472 IonicContact OE1-NH1 2.69Å; E468-R472 PolarHBondContact OE1-NH1 3.24Å; E468-R472 IonicContact OE1-NH2 3.41Å; E468-R472 PolarHBondContact OE1-NH2 3.14Å |
| 469 | L | 82.9 | Confident | 84.1 | Confident | 92 Ų | 92 | 102 Ų | 102 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 177.2 | -73.6 | 169.3 | 0 | 0 | 0 | 112.5 | R465 K466 L471 R472 M473 | R465-L469 WeakPolarHBondContact O-CB 3.44Å; R465-L469 VanDerWaalsContact O-CG 3.3Å; R465-L469 WeakPolarHBondContact O-CG 3.07Å; R465-L469 PolarHBondContact O-N 3.22Å; K466-L469 PolarHBondContact O-N 3.27Å; L469-L471 VanDerWaalsContact C-N 3.33Å; L469-R472 PolarHBondContact O-N 3.48Å; L469-M473 WeakPolarHBondContact O-CB 3.41Å; L469-M473 PolarHBondContact O-N 3.45Å |
| 470 | E | 82.7 | Confident | 84.8 | Confident | 105 Ų | 105 | 106.4 Ų | 106.4 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 173.7 | -73.8 | 175.9 | 143.8 | 0 | 0 | 111 | K466 A467 M473 Q474 | K466-E470 WeakPolarHBondContact CE-OE1 3.49Å; K466-E470 HydrophobicContact CG-CG 4.5Å; K466-E470 IonicContact NZ-OE1 2.67Å; K466-E470 PolarHBondContact NZ-OE1 3.47Å; K466-E470 IonicContact NZ-OE2 2.78Å; K466-E470 PolarHBondContact NZ-OE2 3.39Å; K466-E470 WeakPolarHBondContact O-CG 3.33Å; K466-E470 PolarHBondContact O-N 3.47Å; A467-E470 PolarHBondContact O-N 3.45Å; E470-M473 PolarHBondContact O-N 3.22Å; E470-Q474 PolarHBondContact O-N 3.05Å |
| 471 | L | 87.9 | Confident | 85 | Confident | 127 Ų | 127 | 107.3 Ų | 107.3 | 67% | 0.665 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -42.9 | 174.5 | -173 | 67.2 | 0 | 0 | 0 | 112.6 | A467 E468 L469 M473 Q474 H475 | A467-L471 WeakPolarHBondContact O-CB 3.37Å; A467-L471 PolarHBondContact O-N 3.06Å; E468-L471 PolarHBondContact O-N 3.35Å; L469-L471 VanDerWaalsContact C-N 3.33Å; L471-M473 VanDerWaalsContact C-N 3.33Å; L471-M473 PolarHBondContact O-N 3.41Å; L471-Q474 PolarHBondContact O-N 3.44Å; L471-H475 PolarHBondContact O-N 3.45Å |
| 472 | R | 87.7 | Confident | 85.1 | Confident | 142 Ų | 142 | 106.1 Ų | 106.1 | 54% | 0.536 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 172.7 | -81.8 | -160.2 | -177.4 | 96.1 | 12.6 | 112 | E468 L469 Q474 H475 L476 | E468-R472 PolarHBondContact O-N 3.44Å; E468-R472 IonicContact OE1-CZ 3.39Å; E468-R472 IonicContact OE1-NH1 2.69Å; E468-R472 PolarHBondContact OE1-NH1 3.24Å; E468-R472 IonicContact OE1-NH2 3.41Å; E468-R472 PolarHBondContact OE1-NH2 3.14Å; L469-R472 PolarHBondContact O-N 3.48Å; R472-Q474 VanDerWaalsContact C-N 3.35Å; R472-H475 PolarHBondContact O-N 2.94Å; R472-L476 WeakPolarHBondContact O-CG 3.19Å; R472-L476 PolarHBondContact O-N 3.49Å |
| 473 | M | 78.9 | Confident | 85.4 | Confident | 111 Ų | 111 | 106.5 Ų | 106.5 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 178.1 | -164.5 | -177.9 | 91.9 | 0 | 0 | 111.3 | L469 E470 L471 L476 Q477 | L469-M473 WeakPolarHBondContact O-CB 3.41Å; L469-M473 PolarHBondContact O-N 3.45Å; E470-M473 PolarHBondContact O-N 3.22Å; L471-M473 VanDerWaalsContact C-N 3.33Å; L471-M473 PolarHBondContact O-N 3.41Å; M473-L476 PolarHBondContact O-N 3.06Å; M473-Q477 WeakPolarHBondContact O-CG 3.35Å; M473-Q477 PolarHBondContact O-N 3.26Å |
| 474 | Q | 83.3 | Confident | 85.3 | Confident | 93 Ų | 93 | 104.2 Ų | 104.2 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 172.7 | -174.1 | 60.5 | 51.4 | 0 | 0 | 111.1 | E470 L471 R472 L476 Q477 D478 | E470-Q474 PolarHBondContact O-N 3.05Å; L471-Q474 PolarHBondContact O-N 3.44Å; R472-Q474 VanDerWaalsContact C-N 3.35Å; Q474-L476 VanDerWaalsContact C-N 3.3Å; Q474-L476 PolarHBondContact O-N 2.92Å; Q474-Q477 WeakPolarHBondContact O-CA 3.49Å; Q474-Q477 WeakPolarHBondContact O-CB 3.32Å; Q474-Q477 PolarHBondContact O-N 2.99Å; Q474-D478 PolarHBondContact NE2-OD1 3.4Å; Q474-D478 PolarHBondContact NE2-OD2 3.21Å; Q474-D478 VanDerWaalsContact O-CG 3.26Å; Q474-D478 PolarHBondContact O-N 3.38Å |
| 475 | H | 85.5 | Confident | 85.4 | Confident | 124 Ų | 124 | 107.7 Ų | 107.7 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -36.3 | 177.9 | -174.8 | 67.6 | 0 | 0 | 0 | 113.2 | L471 R472 D478 T479 | L471-H475 PolarHBondContact O-N 3.45Å; R472-H475 PolarHBondContact O-N 2.94Å; H475-D478 PolarHBondContact O-N 2.99Å; H475-T479 WeakPolarHBondContact O-CB 3.47Å; H475-T479 PolarHBondContact O-N 3.07Å; H475-T479 PolarHBondContact O-OG1 2.87Å |
| 476 | L | 85.5 | Confident | 85.3 | Confident | 118 Ų | 118 | 104.9 Ų | 104.9 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.7 | -31.6 | 173.2 | -74.9 | 169.6 | 0 | 0 | 0 | 112.9 | R472 M473 Q474 T479 R480 | R472-L476 WeakPolarHBondContact O-CG 3.19Å; R472-L476 PolarHBondContact O-N 3.49Å; M473-L476 PolarHBondContact O-N 3.06Å; Q474-L476 VanDerWaalsContact C-N 3.3Å; Q474-L476 PolarHBondContact O-N 2.92Å; L476-T479 WeakPolarHBondContact CA-OG1 3.22Å; L476-T479 PolarHBondContact O-OG1 3.08Å; L476-R480 VanDerWaalsContact O-CB 3.26Å; L476-R480 WeakPolarHBondContact O-CB 3.35Å; L476-R480 PolarHBondContact O-N 3.01Å; L476-R480 VanDerWaalsContact O-N 3.1Å |
| 477 | Q | 82.8 | Confident | 85.4 | Confident | 99 Ų | 99 | 104.2 Ų | 104.2 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.1 | -38.6 | 173.6 | -72.1 | -177.5 | 2 | 0 | 0 | 112 | M473 Q474 R480 K481 | M473-Q477 WeakPolarHBondContact O-CG 3.35Å; M473-Q477 PolarHBondContact O-N 3.26Å; Q474-Q477 WeakPolarHBondContact O-CA 3.49Å; Q474-Q477 WeakPolarHBondContact O-CB 3.32Å; Q474-Q477 PolarHBondContact O-N 2.99Å; Q477-R480 PolarHBondContact O-N 3.3Å; Q477-K481 PolarHBondContact O-N 3.2Å |
| 478 | D | 86.6 | Confident | 85.4 | Confident | 81 Ų | 81 | 106.8 Ų | 106.8 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -45.7 | 177.9 | -62 | -26.6 | 0 | 0 | 0 | 111.2 | Q474 H475 R480 K481 D482 | Q474-D478 PolarHBondContact NE2-OD1 3.4Å; Q474-D478 PolarHBondContact NE2-OD2 3.21Å; Q474-D478 VanDerWaalsContact O-CG 3.26Å; Q474-D478 PolarHBondContact O-N 3.38Å; H475-D478 PolarHBondContact O-N 2.99Å; D478-R480 VanDerWaalsContact C-N 3.32Å; D478-R480 PolarHBondContact O-N 3.41Å; D478-K481 WeakPolarHBondContact O-CB 3.4Å; D478-K481 PolarHBondContact O-N 3.13Å; D478-D482 PolarHBondContact O-N 2.93Å |
| 479 | T | 86.9 | Confident | 85.3 | Confident | 53 Ų | 53 | 104 Ų | 104 | 33% | 0.325 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -35 | 173.1 | 46.1 | 0 | 0 | 0 | 0 | 112.6 | H475 L476 K481 D482 L483 | H475-T479 WeakPolarHBondContact O-CB 3.47Å; H475-T479 PolarHBondContact O-N 3.07Å; H475-T479 PolarHBondContact O-OG1 2.87Å; L476-T479 WeakPolarHBondContact CA-OG1 3.22Å; L476-T479 PolarHBondContact O-OG1 3.08Å; T479-K481 VanDerWaalsContact C-N 3.34Å; T479-D482 PolarHBondContact O-N 3.06Å; T479-L483 WeakPolarHBondContact O-CB 3.3Å; T479-L483 WeakPolarHBondContact O-CG 3.33Å; T479-L483 PolarHBondContact O-N 2.97Å |
| 480 | R | 89.2 | Confident | 85.3 | Confident | 175 Ų | 175 | 104.9 Ų | 104.9 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -37.4 | 170 | -177.1 | -177 | 179.2 | -155.9 | 0.8 | 112.1 | L476 Q477 D478 L484 | L476-R480 VanDerWaalsContact O-CB 3.26Å; L476-R480 WeakPolarHBondContact O-CB 3.35Å; L476-R480 PolarHBondContact O-N 3.01Å; L476-R480 VanDerWaalsContact O-N 3.1Å; Q477-R480 PolarHBondContact O-N 3.3Å; D478-R480 VanDerWaalsContact C-N 3.32Å; D478-R480 PolarHBondContact O-N 3.41Å; R480-L484 HydrophobicContact CG-CD1 4.24Å; R480-L484 VanDerWaalsContact O-CG 3.28Å; R480-L484 WeakPolarHBondContact O-CG 3.38Å; R480-L484 PolarHBondContact O-N 3.38Å; R480-L484 VanDerWaalsContact O-N 3.13Å |
| 481 | K | 88.1 | Confident | 85 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 176.3 | -173 | 177 | -178.8 | 175.7 | 0 | 110.8 | D253 Q477 D478 T479 L484 E485 | D253-K481 IonicContact OD2-NZ 3.08Å; D253-K481 PolarHBondContact OD2-NZ 3Å; Q477-K481 PolarHBondContact O-N 3.2Å; D478-K481 WeakPolarHBondContact O-CB 3.4Å; D478-K481 PolarHBondContact O-N 3.13Å; T479-K481 VanDerWaalsContact C-N 3.34Å; K481-L484 PolarHBondContact O-N 2.7Å; K481-E485 PolarHBondContact O-N 3.09Å |
| 482 | D | 88.2 | Confident | 84.8 | Confident | 84 Ų | 84 | 105.4 Ų | 105.4 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 177.3 | -173.3 | 69 | 0 | 0 | 0 | 112.1 | D478 T479 L484 E485 Q486 | D478-D482 PolarHBondContact O-N 2.93Å; T479-D482 PolarHBondContact O-N 3.06Å; D482-L484 VanDerWaalsContact C-N 3.29Å; D482-L484 PolarHBondContact O-N 3Å; D482-E485 PolarHBondContact O-N 2.81Å; D482-E485 VanDerWaalsContact O-N 3.08Å; D482-Q486 WeakPolarHBondContact O-CG 3.48Å; D482-Q486 PolarHBondContact O-N 2.86Å; D482-Q486 PolarHBondContact OD2-NE2 3.13Å |
| 483 | L | 88.6 | Confident | 84.4 | Confident | 98 Ų | 98 | 103.4 Ų | 103.4 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -35.4 | 175.6 | -73.2 | 170.6 | 0 | 0 | 0 | 113.4 | T479 L487 | T479-L483 WeakPolarHBondContact O-CB 3.3Å; T479-L483 WeakPolarHBondContact O-CG 3.33Å; T479-L483 PolarHBondContact O-N 2.97Å; L483-L487 WeakPolarHBondContact O-CB 3.44Å; L483-L487 WeakPolarHBondContact O-CG 3.44Å; L483-L487 PolarHBondContact O-N 2.82Å |
| 484 | L | 82.7 | Confident | 84.2 | Confident | 97 Ų | 97 | 103.8 Ų | 103.8 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.2 | -35.9 | 174.8 | -73 | 169.4 | 0 | 0 | 0 | 112.1 | R480 K481 D482 L487 E488 | R480-L484 HydrophobicContact CG-CD1 4.24Å; R480-L484 VanDerWaalsContact O-CG 3.28Å; R480-L484 WeakPolarHBondContact O-CG 3.38Å; R480-L484 PolarHBondContact O-N 3.38Å; R480-L484 VanDerWaalsContact O-N 3.13Å; K481-L484 PolarHBondContact O-N 2.7Å; D482-L484 VanDerWaalsContact C-N 3.29Å; D482-L484 PolarHBondContact O-N 3Å; L484-L487 PolarHBondContact O-N 3.16Å; L484-E488 PolarHBondContact O-N 2.89Å |
| 485 | E | 85.6 | Confident | 83.6 | Confident | 133 Ų | 133 | 105.8 Ų | 105.8 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.3 | -41.3 | 175.1 | -172 | 163.3 | -177.4 | 0 | 0 | 111.6 | K481 D482 E488 G489 | K481-E485 PolarHBondContact O-N 3.09Å; D482-E485 PolarHBondContact O-N 2.81Å; D482-E485 VanDerWaalsContact O-N 3.08Å; E485-E488 PolarHBondContact O-N 3.21Å; E485-G489 PolarHBondContact O-N 3.17Å |
| 486 | Q | 85.1 | Confident | 82.6 | Confident | 104 Ų | 104 | 106 Ų | 106 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 170.9 | -67.6 | -177.2 | 25.4 | 0 | 0 | 111.8 | D482 E488 G489 L490 | D482-Q486 WeakPolarHBondContact O-CG 3.48Å; D482-Q486 PolarHBondContact O-N 2.86Å; D482-Q486 PolarHBondContact OD2-NE2 3.13Å; Q486-E488 PolarHBondContact O-N 3.4Å; Q486-G489 PolarHBondContact O-N 2.76Å; Q486-L490 WeakPolarHBondContact O-CG 3.33Å; Q486-L490 PolarHBondContact O-N 2.92Å |
| 487 | L | 84 | Confident | 81.1 | Confident | 101 Ų | 101 | 103.7 Ų | 103.7 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 174.4 | -83.2 | 163.9 | 0 | 0 | 0 | 112.5 | L483 L484 G489 L490 M491 | L483-L487 WeakPolarHBondContact O-CB 3.44Å; L483-L487 WeakPolarHBondContact O-CG 3.44Å; L483-L487 PolarHBondContact O-N 2.82Å; L484-L487 PolarHBondContact O-N 3.16Å; L487-G489 VanDerWaalsContact C-N 3.32Å; L487-L490 PolarHBondContact O-N 3.44Å; L487-M491 WeakPolarHBondContact O-CB 3.39Å; L487-M491 WeakPolarHBondContact O-CG 3.33Å; L487-M491 PolarHBondContact O-N 2.82Å |
| 488 | E | 83.8 | Confident | 79.6 | Confident | 109 Ų | 109 | 109.9 Ų | 109.9 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 175.1 | -158.3 | -170.3 | 133 | 0 | 0 | 111.7 | L484 E485 Q486 K492 | L484-E488 PolarHBondContact O-N 2.89Å; E485-E488 PolarHBondContact O-N 3.21Å; Q486-E488 PolarHBondContact O-N 3.4Å; E488-K492 WeakPolarHBondContact O-CG 3.49Å; E488-K492 PolarHBondContact O-N 3.23Å; E488-K492 WeakPolarHBondContact OE1-CE 3.33Å; E488-K492 IonicContact OE1-NZ 2.72Å; E488-K492 PolarHBondContact OE1-NZ 3.41Å |
| 489 | G | 84.9 | Confident | 77.8 | Confident | 30 Ų | 30 | 113.3 Ų | 113.3 | 31% | 0.309 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.6 | -51.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E485 Q486 L487 M491 K492 V493 | E485-G489 PolarHBondContact O-N 3.17Å; Q486-G489 PolarHBondContact O-N 2.76Å; L487-G489 VanDerWaalsContact C-N 3.32Å; G489-M491 PolarHBondContact O-N 2.63Å; G489-K492 WeakPolarHBondContact O-CB 3.49Å; G489-K492 PolarHBondContact O-N 3.14Å; G489-K492 VanDerWaalsContact O-N 3.09Å; G489-V493 PolarHBondContact O-N 3.25Å |
| 490 | L | 83.1 | Confident | 75.7 | Confident | 109 Ų | 109 | 114.8 Ų | 114.8 | 57% | 0.571 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.7 | -42.7 | 176.5 | -69.9 | 171.5 | 0 | 0 | 0 | 111.8 | Q486 L487 K492 V493 L494 | Q486-L490 WeakPolarHBondContact O-CG 3.33Å; Q486-L490 PolarHBondContact O-N 2.92Å; L487-L490 PolarHBondContact O-N 3.44Å; L490-K492 VanDerWaalsContact C-N 3.3Å; L490-K492 PolarHBondContact O-N 2.74Å; L490-V493 PolarHBondContact O-N 3.47Å; L490-L494 WeakPolarHBondContact O-CB 3.26Å; L490-L494 WeakPolarHBondContact O-CG 3.31Å; L490-L494 PolarHBondContact O-N 3.02Å |
| 491 | M | 77.8 | Confident | 73 | Confident | 136 Ų | 136 | 111.7 Ų | 111.7 | 67% | 0.67 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.2 | -36.5 | 173.1 | -81.4 | -171.6 | 63.6 | 0 | 0 | 112.9 | L487 G489 K495 | L487-M491 WeakPolarHBondContact O-CB 3.39Å; L487-M491 WeakPolarHBondContact O-CG 3.33Å; L487-M491 PolarHBondContact O-N 2.82Å; G489-M491 PolarHBondContact O-N 2.63Å; M491-K495 VanDerWaalsContact O-CB 3.3Å; M491-K495 WeakPolarHBondContact O-CB 3.48Å; M491-K495 PolarHBondContact O-N 3.4Å; M491-K495 VanDerWaalsContact O-N 3.1Å |
| 492 | K | 82 | Confident | 70.5 | Confident | 108 Ų | 108 | 112 Ų | 112 | 47% | 0.47 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.3 | -44.3 | 174 | -75 | 162.5 | -173 | 157.7 | 0 | 111 | E488 G489 L490 K495 H496 | E488-K492 WeakPolarHBondContact O-CG 3.49Å; E488-K492 PolarHBondContact O-N 3.23Å; E488-K492 WeakPolarHBondContact OE1-CE 3.33Å; E488-K492 IonicContact OE1-NZ 2.72Å; E488-K492 PolarHBondContact OE1-NZ 3.41Å; G489-K492 WeakPolarHBondContact O-CB 3.49Å; G489-K492 PolarHBondContact O-N 3.14Å; G489-K492 VanDerWaalsContact O-N 3.09Å; L490-K492 VanDerWaalsContact C-N 3.3Å; L490-K492 PolarHBondContact O-N 2.74Å; K492-K495 PolarHBondContact O-N 2.74Å; K492-H496 PolarHBondContact O-N 2.98Å; K492-H496 VanDerWaalsContact O-N 3.12Å; K492-H496 PolarHBondContact O-ND1 3.45Å |
| 493 | V | 80.6 | Confident | 68 | Low | 100 Ų | 100 | 116.9 Ų | 116.9 | 61% | 0.606 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.1 | -50.7 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 111 | G489 L490 K495 H496 S497 | G489-V493 PolarHBondContact O-N 3.25Å; L490-V493 PolarHBondContact O-N 3.47Å; V493-K495 PolarHBondContact O-N 2.92Å; V493-K495 VanDerWaalsContact O-N 3.17Å; V493-H496 PolarHBondContact O-N 3.48Å; V493-S497 PolarHBondContact O-N 3.43Å; V493-S497 PolarHBondContact O-OG 3.1Å |
| 494 | L | 73.3 | Confident | 65.4 | Low | 118 Ų | 118 | 116.2 Ų | 116.2 | 62% | 0.618 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61 | -23.8 | 178.1 | -71 | 171.7 | 0 | 0 | 0 | 113.9 | L490 S497 | L490-L494 WeakPolarHBondContact O-CB 3.26Å; L490-L494 WeakPolarHBondContact O-CG 3.31Å; L490-L494 PolarHBondContact O-N 3.02Å; L494-S497 WeakPolarHBondContact CA-OG 3.48Å; L494-S497 PolarHBondContact O-OG 3.38Å |
| 495 | K | 71.7 | Confident | 63.2 | Low | 135 Ų | 135 | 118.4 Ų | 118.4 | 59% | 0.587 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -82 | -39.6 | 176.3 | -164.5 | 176.4 | -178.7 | -171.5 | 0 | 112.5 | M491 K492 V493 R498 | M491-K495 VanDerWaalsContact O-CB 3.3Å; M491-K495 WeakPolarHBondContact O-CB 3.48Å; M491-K495 PolarHBondContact O-N 3.4Å; M491-K495 VanDerWaalsContact O-N 3.1Å; K492-K495 PolarHBondContact O-N 2.74Å; V493-K495 PolarHBondContact O-N 2.92Å; V493-K495 VanDerWaalsContact O-N 3.17Å; K495-R498 PolarHBondContact O-N 3.25Å |
| 496 | H | 63.8 | Low | 60.9 | Low | 129 Ų | 129 | 119.6 Ų | 119.6 | 60% | 0.597 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.6 | -33.5 | 177.3 | -69.2 | 88.6 | 0 | 0 | 0 | 112.3 | K492 V493 R498 E499 S500 | K492-H496 PolarHBondContact O-N 2.98Å; K492-H496 VanDerWaalsContact O-N 3.12Å; K492-H496 PolarHBondContact O-ND1 3.45Å; V493-H496 PolarHBondContact O-N 3.48Å; H496-R498 PolarHBondContact O-N 2.76Å; H496-E499 PolarHBondContact O-N 2.97Å; H496-E499 VanDerWaalsContact O-N 3.11Å; H496-S500 PolarHBondContact O-OG 3.01Å; H496-S500 VanDerWaalsContact O-OG 3.1Å |
| 497 | S | 53.9 | Low | 58.6 | Low | 69 Ų | 69 | 118.3 Ų | 118.3 | 48% | 0.483 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | -15.9 | 176.5 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | V493 L494 | V493-S497 PolarHBondContact O-N 3.43Å; V493-S497 PolarHBondContact O-OG 3.1Å; L494-S497 WeakPolarHBondContact CA-OG 3.48Å; L494-S497 PolarHBondContact O-OG 3.38Å |
| 498 | R | 51.2 | Low | 56.6 | Low | 230 Ų | 230 | 122.3 Ų | 122.3 | 87% | 0.868 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -11.4 | 172.2 | -88.9 | -175.3 | 163.3 | 174.6 | -3.2 | 114.8 | K495 H496 | K495-R498 PolarHBondContact O-N 3.25Å; H496-R498 PolarHBondContact O-N 2.76Å |
| 499 | E | 48.8 | Very low | 54.5 | Low | 153 Ų | 153 | 124.3 Ų | 124.3 | 72% | 0.715 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -4.2 | 179.8 | -68.7 | 179.2 | -176.6 | 0 | 0 | 112.8 | H496 | H496-E499 PolarHBondContact O-N 2.97Å; H496-E499 VanDerWaalsContact O-N 3.11Å |
| 500 | S | 43.2 | Very low | 52.2 | Low | 84 Ų | 84 | 126.2 Ų | 126.2 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | trans | -117.3 | 76.3 | -177.6 | 48.1 | 0 | 0 | 0 | 0 | 113.5 | H496 | H496-S500 PolarHBondContact O-OG 3.01Å; H496-S500 VanDerWaalsContact O-OG 3.1Å | ||
| 501 | S | 33.3 | Very low | 50.2 | Low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | -143.5 | 108.1 | 167.3 | -78.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 502 | P | 34.2 | Very low | 48.3 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | trans | -107.1 | 119.9 | -169.5 | 36.2 | -29.3 | 0 | 0 | 0 | 114.3 | ||||
| 503 | H | 36.4 | Very low | 46.3 | Very low | 186 Ų | 186 | 127 Ų | 127 | 86% | 0.861 | 69% | 0.693 | S | S | * | * | trans | -154.7 | 144.6 | 164.5 | -76.5 | -68.5 | 0 | 0 | 0 | 108.9 | ||||
| 504 | S | 33.2 | Very low | 44.9 | Very low | 83 Ų | 83 | 129.2 Ų | 129.2 | 58% | 0.58 | 71% | 0.707 | S | S | * | * | cis | 178.9 | 163.9 | -9 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 505 | L | 37.7 | Very low | 43.5 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | 70.8 | 157.8 | 165.7 | -45 | 174 | 0 | 0 | 0 | 114.9 | ||||
| 506 | H | 38.1 | Very low | 42.1 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | cis | -167.1 | 175.1 | -10.1 | -107 | -32.1 | 0 | 0 | 0 | 106.6 | ||||
| 507 | S | 36.5 | Very low | 40.9 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 54% | 0.538 | 73% | 0.726 | S | S | . | * | cis | -176.5 | 155.9 | -46.6 | -89.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 508 | F | 41.1 | Very low | 40.3 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | 72.1 | 153.6 | 168.8 | -52.9 | -65.4 | 0 | 0 | 0 | 117.5 | ||||
| 509 | N | 39.5 | Very low | 39.7 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | cis | -159.8 | 154.7 | 0.2 | -131.8 | 1.2 | 0 | 0 | 0 | 114.7 | ||||
| 510 | G | 37.6 | Very low | 39.3 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | 79.8 | 150.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 511 | N | 39.9 | Very low | 39.1 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -162.2 | 153.5 | -13 | -160.4 | 33.9 | 0 | 0 | 0 | 112.4 | ||||
| 512 | E | 38.9 | Very low | 39.5 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | 18.3 | 147.1 | 159.2 | -68.2 | 166.4 | 140.1 | 0 | 0 | 123.1 | ||||
| 513 | G | 39.4 | Very low | 39.7 | Very low | 61 Ų | 61 | 134.6 Ų | 134.6 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | cis | 177.4 | 160.8 | -2.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 514 | T | 52.2 | Low | 39.8 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | 77.7 | 148.6 | 143.4 | 50.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 515 | P | 43.6 | Very low | 40.2 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | trans | -133.1 | 171.5 | -151.7 | 40.6 | -22.1 | 0 | 0 | 0 | 117.3 | ||||
| 516 | R | 42.7 | Very low | 40.4 | Very low | 218 Ų | 218 | 137.6 Ų | 137.6 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | 171.1 | 133.8 | 122.8 | -95.5 | -179.3 | -174 | 178.6 | 2.6 | 116.2 | |||||
| 517 | D | 38.5 | Very low | 40.4 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | trans | 66.9 | 149.5 | 137.7 | -50.6 | -25.1 | 0 | 0 | 0 | 124.9 | ||||
| 518 | F | 41 | Very low | 40.4 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | 87.3 | 83.6 | 168.1 | -65.6 | -79.6 | 0 | 0 | 0 | 121.3 | ||||
| 519 | S | 38.7 | Very low | 40.5 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | 52.9 | 131.7 | 115.5 | -53.6 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 520 | S | 39.3 | Very low | 40.8 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | 96.4 | 103.5 | 144.6 | 71.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 521 | L | 40 | Very low | 40.7 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | 74 | 132.3 | 128.1 | -65.7 | 170.6 | 0 | 0 | 0 | 123.8 | |||||
| 522 | S | 41.9 | Very low | 40.5 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | 73.4 | 108 | 146.9 | 49.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 523 | D | 37.7 | Very low | 40.4 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | 54.2 | 109.8 | 125.1 | -49 | -25.4 | 0 | 0 | 0 | 121.7 | |||||
| 524 | N | 38.7 | Very low | 40.6 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | -168.6 | 170.2 | 115.1 | -110.4 | -65.3 | 0 | 0 | 0 | 115.3 | |||||
| 525 | E | 40.6 | Very low | 39.9 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -82.2 | 165.2 | -170.1 | -53.5 | -178.4 | 101.4 | 0 | 0 | 117.4 | ||||
| 526 | K | 42.3 | Very low | 39.7 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | trans | 90.6 | 141 | 141 | -86.4 | 159.6 | -176.6 | 128 | 0 | 121.3 | ||||
| 527 | P | 38.1 | Very low | 39.5 | Very low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | -115.6 | 163.6 | -174 | 42.5 | -33.5 | 0 | 0 | 0 | 115.3 | ||||
| 528 | C | 36.4 | Very low | 39.2 | Very low | 125 Ų | 125 | 136 Ų | 136 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -167.1 | 123.3 | 148.1 | -109.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 529 | S | 43.3 | Very low | 39.1 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 67.2 | 158 | 136.1 | -73.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 530 | P | 45.5 | Very low | 38.7 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -124.5 | -173.5 | -154.4 | 43.8 | -29.1 | 0 | 0 | 0 | 114.4 | ||||
| 531 | Y | 36.4 | Very low | 38.6 | Very low | 238 Ų | 238 | 136 Ų | 136 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | trans | 172 | 145.2 | 136.8 | -98.7 | -68.7 | 0 | 0 | 0 | 111.4 | ||||
| 532 | G | 34.3 | Very low | 38.4 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 161.9 | 109.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 533 | S | 38.1 | Very low | 37.8 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -97.9 | 158.3 | -179.8 | -64.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 534 | H | 42.5 | Very low | 38 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | 161.9 | 127.7 | 109.2 | -86.4 | -62.1 | 0 | 0 | 0 | 118.1 | |||||
| 535 | N | 37.7 | Very low | 37.6 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | 71.2 | 135.1 | 129.4 | -68 | -0.7 | 0 | 0 | 0 | 126.2 | |||||
| 536 | R | 39.8 | Very low | 37.1 | Very low | 236 Ų | 236 | 132.1 Ų | 132.1 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | trans | 66.3 | 152.4 | 149.8 | -71.5 | 179.5 | 164.4 | -156.4 | -4.5 | 116.9 | ||||
| 537 | S | 38.3 | Very low | 36.7 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | cis | -168.9 | 169.1 | -17.3 | -87.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 538 | G | 32.2 | Very low | 36.7 | Very low | 61 Ų | 61 | 134.3 Ų | 134.3 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | cis | 168.6 | -177.9 | 2.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 539 | V | 39.6 | Very low | 36.7 | Very low | 159 Ų | 159 | 131 Ų | 131 | 96% | 0.964 | 77% | 0.767 | S | S | * | * | trans | 69.8 | 136.8 | -174.1 | -167.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 540 | G | 30.8 | Very low | 36.6 | Very low | 63 Ų | 63 | 133.8 Ų | 133.8 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | cis | 144.2 | 92.1 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 541 | I | 36.5 | Very low | 36.4 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | trans | -147.8 | 157.8 | 175.1 | -90.8 | 146.6 | 0 | 0 | 0 | 110.5 | ||||
| 542 | S | 36.5 | Very low | 37 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -84.6 | 163.8 | -166.2 | 50.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 543 | S | 29.3 | Very low | 38 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -25.2 | 159.8 | 153.3 | -136 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 544 | P | 40.4 | Very low | 39 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | cis | -149 | 173.6 | 25 | 43.7 | -23 | 0 | 0 | 0 | 120 | ||||
| 545 | Y | 31.4 | Very low | 40.3 | Very low | 213 Ų | 213 | 133 Ų | 133 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | 28.9 | 131.7 | 144.2 | -81.4 | -97.3 | 0 | 0 | 0 | 123.8 | ||||
| 546 | S | 30.4 | Very low | 41.8 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | 89.4 | 139.1 | 132.3 | -67 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 547 | T | 33.5 | Very low | 43.5 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | trans | 91.9 | 91.8 | 150 | -30.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 548 | F | 37.1 | Very low | 45.2 | Very low | 221 Ų | 221 | 125.3 Ų | 125.3 | 97% | 0.969 | 71% | 0.706 | S | S | * | * | trans | -135.6 | 75.5 | 142.9 | -89.4 | -78.6 | 0 | 0 | 0 | 110.1 | ||||
| 549 | G | 36.2 | Very low | 47.2 | Very low | 56 Ų | 56 | 128.3 Ų | 128.3 | 58% | 0.577 | 71% | 0.707 | S | S | * | * | trans | -87.1 | 122.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | R551 | G549-R551 PolarHBondContact O-N 2.99Å; G549-R551 VanDerWaalsContact O-N 3.1Å | ||
| 550 | I | 41 | Very low | 49 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 90% | 0.897 | 69% | 0.685 | S | S | * | * | trans | -66.7 | 108.8 | 166.2 | -63.3 | 179.5 | 0 | 0 | 0 | 106.6 | K552 | I550-K552 PolarHBondContact O-N 2.95Š| ||
| 551 | R | 41.7 | Very low | 51.2 | Low | 184 Ų | 184 | 125.9 Ų | 125.9 | 69% | 0.694 | 68% | 0.679 | S | S | * | * | trans | -72.5 | 124 | -169.1 | -63.3 | -168.4 | -172.5 | -164.8 | 3.2 | 110.8 | G549 D553 | G549-R551 PolarHBondContact O-N 2.99Å; G549-R551 VanDerWaalsContact O-N 3.1Å; R551-D553 HydrophobicContact CB-CB 4.4Å; R551-D553 PolarHBondContact O-N 3.36Å | ||
| 552 | K | 50.6 | Low | 53.1 | Low | 185 Ų | 185 | 119.8 Ų | 119.8 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -20.8 | 172.8 | -161.7 | 175.8 | -179.2 | -176.2 | 0 | 112.3 | I550 S554 | I550-K552 PolarHBondContact O-N 2.95Å; K552-S554 PolarHBondContact O-N 2.78Å |
| 553 | D | 54.2 | Low | 55.1 | Low | 89 Ų | 89 | 116.8 Ų | 116.8 | 48% | 0.476 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.9 | -38.9 | -175.2 | -45.2 | -32.6 | 0 | 0 | 0 | 113.3 | R551 L555 Q556 T557 | R551-D553 HydrophobicContact CB-CB 4.4Å; R551-D553 PolarHBondContact O-N 3.36Å; D553-L555 VanDerWaalsContact C-N 3.28Å; D553-L555 PolarHBondContact O-N 3Å; D553-Q556 WeakPolarHBondContact O-CA 3.39Å; D553-Q556 WeakPolarHBondContact O-CB 3.48Å; D553-Q556 PolarHBondContact O-N 3.39Å; D553-T557 PolarHBondContact O-N 3.43Å; D553-T557 PolarHBondContact O-OG1 3.48Å |
| 554 | S | 60.2 | Low | 57.6 | Low | 74 Ų | 74 | 116.2 Ų | 116.2 | 52% | 0.517 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.8 | -39.6 | -174.1 | 85.3 | 0 | 0 | 0 | 0 | 111.9 | K552 Q556 T557 D558 | K552-S554 PolarHBondContact O-N 2.78Å; S554-Q556 PolarHBondContact O-N 2.92Å; S554-T557 PolarHBondContact O-N 3.34Å; S554-D558 PolarHBondContact O-N 3.12Å |
| 555 | L | 69 | Low | 59.4 | Low | 126 Ų | 126 | 114.5 Ų | 114.5 | 66% | 0.66 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.1 | -21.9 | 179.7 | -158.6 | 134.6 | 0 | 0 | 0 | 112.1 | D553 L559 | D553-L555 VanDerWaalsContact C-N 3.28Å; D553-L555 PolarHBondContact O-N 3Å; L555-L559 WeakPolarHBondContact O-CB 3.36Å; L555-L559 PolarHBondContact O-N 3.48Å |
| 556 | Q | 68.7 | Low | 61.7 | Low | 127 Ų | 127 | 109.4 Ų | 109.4 | 59% | 0.593 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -79.4 | -38.8 | 170.9 | -173.4 | 173.2 | -17.6 | 0 | 0 | 111.1 | D553 S554 L559 L560 | D553-Q556 WeakPolarHBondContact O-CA 3.39Å; D553-Q556 WeakPolarHBondContact O-CB 3.48Å; D553-Q556 PolarHBondContact O-N 3.39Å; S554-Q556 PolarHBondContact O-N 2.92Å; Q556-L559 PolarHBondContact O-N 3.06Å; Q556-L560 HydrophobicContact CG-CD1 4.21Å; Q556-L560 WeakPolarHBondContact O-CG 3.38Å; Q556-L560 PolarHBondContact O-N 2.7Å |
| 557 | T | 75.8 | Confident | 64.1 | Low | 88 Ų | 88 | 108.4 Ų | 108.4 | 54% | 0.54 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64 | -43.5 | 173.2 | -38 | 0 | 0 | 0 | 0 | 111.7 | D553 S554 L559 L560 S561 | D553-T557 PolarHBondContact O-N 3.43Å; D553-T557 PolarHBondContact O-OG1 3.48Å; S554-T557 PolarHBondContact O-N 3.34Å; T557-L559 VanDerWaalsContact C-N 3.29Å; T557-L559 PolarHBondContact O-N 2.87Å; T557-L560 PolarHBondContact O-N 2.88Å; T557-S561 WeakPolarHBondContact O-CB 3.3Å; T557-S561 PolarHBondContact O-N 2.95Å |
| 558 | D | 73.8 | Confident | 66.4 | Low | 107 Ų | 107 | 108.5 Ų | 108.5 | 57% | 0.572 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.2 | -38.1 | 175.4 | -66.7 | -28.6 | 0 | 0 | 0 | 111.4 | S554 A562 | S554-D558 PolarHBondContact O-N 3.12Å; D558-A562 WeakPolarHBondContact O-CB 3.41Å; D558-A562 PolarHBondContact O-N 3.37Å |
| 559 | L | 74.5 | Confident | 68.4 | Low | 124 Ų | 124 | 101.9 Ų | 101.9 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.4 | -38.8 | 178.2 | -146.2 | 84.2 | 0 | 0 | 0 | 112.7 | L555 Q556 T557 A563 | L555-L559 WeakPolarHBondContact O-CB 3.36Å; L555-L559 PolarHBondContact O-N 3.48Å; Q556-L559 PolarHBondContact O-N 3.06Å; T557-L559 VanDerWaalsContact C-N 3.29Å; T557-L559 PolarHBondContact O-N 2.87Å; L559-A563 WeakPolarHBondContact O-CB 3.37Å; L559-A563 PolarHBondContact O-N 3.3Å |
| 560 | L | 78.1 | Confident | 70.3 | Confident | 95 Ų | 95 | 104.8 Ų | 104.8 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -50 | 174.6 | -81.4 | 158.1 | 0 | 0 | 0 | 110.7 | Q556 T557 A562 A563 D564 | Q556-L560 HydrophobicContact CG-CD1 4.21Å; Q556-L560 WeakPolarHBondContact O-CG 3.38Å; Q556-L560 PolarHBondContact O-N 2.7Å; T557-L560 PolarHBondContact O-N 2.88Å; L560-A562 VanDerWaalsContact C-N 3.27Å; L560-A562 PolarHBondContact O-N 3.19Å; L560-A563 CarbonylContact O-C 3.59Å; L560-A563 WeakPolarHBondContact O-CA 3.4Å; L560-A563 WeakPolarHBondContact O-CB 3.5Å; L560-A563 PolarHBondContact O-N 3.47Å; L560-D564 VanDerWaalsContact O-CG 3.31Å; L560-D564 PolarHBondContact O-N 3.33Å |
| 561 | S | 76.3 | Confident | 72.3 | Confident | 76 Ų | 76 | 99.8 Ų | 99.8 | 53% | 0.531 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -55.5 | -40.3 | 174.8 | 177 | 0 | 0 | 0 | 0 | 112.7 | T557 S565 | T557-S561 WeakPolarHBondContact O-CB 3.3Å; T557-S561 PolarHBondContact O-N 2.95Å; S561-S565 VanDerWaalsContact O-CB 3.28Å; S561-S565 WeakPolarHBondContact O-CB 3.46Å; S561-S565 PolarHBondContact O-N 2.85Å |
| 562 | A | 75.5 | Confident | 74 | Confident | 49 Ų | 49 | 93.8 Ų | 93.8 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D558 L560 I566 | D558-A562 WeakPolarHBondContact O-CB 3.41Å; D558-A562 PolarHBondContact O-N 3.37Å; L560-A562 VanDerWaalsContact C-N 3.27Å; L560-A562 PolarHBondContact O-N 3.19Å; A562-I566 WeakPolarHBondContact O-CD1 3.44Å; A562-I566 VanDerWaalsContact O-CG1 3.25Å; A562-I566 WeakPolarHBondContact O-CG1 3.48Å; A562-I566 PolarHBondContact O-N 2.92Å |
| 563 | A | 80.4 | Confident | 75.3 | Confident | 45 Ų | 45 | 89 Ų | 89 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L559 L560 I566 T567 | L559-A563 WeakPolarHBondContact O-CB 3.37Å; L559-A563 PolarHBondContact O-N 3.3Å; L560-A563 CarbonylContact O-C 3.59Å; L560-A563 WeakPolarHBondContact O-CA 3.4Å; L560-A563 WeakPolarHBondContact O-CB 3.5Å; L560-A563 PolarHBondContact O-N 3.47Å; A563-I566 PolarHBondContact O-N 3.16Å; A563-T567 WeakPolarHBondContact O-CB 3.38Å; A563-T567 PolarHBondContact O-N 3.11Å; A563-T567 PolarHBondContact O-OG1 3.43Å |
| 564 | D | 80.8 | Confident | 76.7 | Confident | 89 Ų | 89 | 88.6 Ų | 88.6 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.5 | -62 | -27.4 | 0 | 0 | 0 | 110.8 | L560 I566 T567 N568 | L560-D564 VanDerWaalsContact O-CG 3.31Å; L560-D564 PolarHBondContact O-N 3.33Å; D564-I566 PolarHBondContact O-N 2.93Å; D564-T567 PolarHBondContact O-N 3.35Å; D564-N568 WeakPolarHBondContact O-CB 3.39Å; D564-N568 VanDerWaalsContact O-CG 3.31Å; D564-N568 PolarHBondContact O-N 3.34Å; D564-N568 PolarHBondContact O-ND2 2.7Å |
| 565 | S | 78.7 | Confident | 77.6 | Confident | 72 Ų | 72 | 90.9 Ų | 90.9 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 174.6 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | S561 T569 | S561-S565 VanDerWaalsContact O-CB 3.28Å; S561-S565 WeakPolarHBondContact O-CB 3.46Å; S561-S565 PolarHBondContact O-N 2.85Å; S565-T569 WeakPolarHBondContact O-CB 3.48Å; S565-T569 PolarHBondContact O-N 3.49Å; S565-T569 PolarHBondContact O-OG1 3.3Å |
| 566 | I | 78.9 | Confident | 78 | Confident | 106 Ų | 106 | 90.4 Ų | 90.4 | 54% | 0.544 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 172.6 | -70.7 | 163.9 | 0 | 0 | 0 | 110.8 | A562 A563 D564 T569 M570 | A562-I566 WeakPolarHBondContact O-CD1 3.44Å; A562-I566 VanDerWaalsContact O-CG1 3.25Å; A562-I566 WeakPolarHBondContact O-CG1 3.48Å; A562-I566 PolarHBondContact O-N 2.92Å; A563-I566 PolarHBondContact O-N 3.16Å; D564-I566 PolarHBondContact O-N 2.93Å; I566-T569 PolarHBondContact O-N 2.96Å; I566-M570 HydrophobicContact CG2-CG 4.37Å; I566-M570 WeakPolarHBondContact O-CB 3.38Å; I566-M570 VanDerWaalsContact O-CG 3.3Å; I566-M570 WeakPolarHBondContact O-CG 3.47Å; I566-M570 PolarHBondContact O-N 3.32Å |
| 567 | T | 82.3 | Confident | 78.3 | Confident | 78 Ų | 78 | 88.8 Ų | 88.8 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -50.1 | -179.3 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | A563 D564 T569 M570 T571 | A563-T567 WeakPolarHBondContact O-CB 3.38Å; A563-T567 PolarHBondContact O-N 3.11Å; A563-T567 PolarHBondContact O-OG1 3.43Å; D564-T567 PolarHBondContact O-N 3.35Å; T567-T569 VanDerWaalsContact C-N 3.31Å; T567-T569 PolarHBondContact O-N 3.03Å; T567-M570 WeakPolarHBondContact O-CB 3.46Å; T567-M570 PolarHBondContact O-N 3.36Å; T567-M570 VanDerWaalsContact O-N 3.13Å; T567-T571 PolarHBondContact O-N 2.98Å; T567-T571 PolarHBondContact O-OG1 2.98Å; T567-T571 VanDerWaalsContact O-OG1 3.06Å |
| 568 | N | 80.5 | Confident | 78.2 | Confident | 112 Ų | 112 | 88.8 Ų | 88.8 | 60% | 0.599 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.6 | -40.2 | 175.6 | -70.8 | -29.4 | 0 | 0 | 0 | 112.3 | D564 T571 S572 | D564-N568 WeakPolarHBondContact O-CB 3.39Å; D564-N568 VanDerWaalsContact O-CG 3.31Å; D564-N568 PolarHBondContact O-N 3.34Å; D564-N568 PolarHBondContact O-ND2 2.7Å; N568-T571 PolarHBondContact O-N 2.88Å; N568-S572 PolarHBondContact O-N 3.42Å |
| 569 | T | 80.5 | Confident | 78.2 | Confident | 82 Ų | 82 | 86.5 Ų | 86.5 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | S565 I566 T567 S572 L573 | S565-T569 WeakPolarHBondContact O-CB 3.48Å; S565-T569 PolarHBondContact O-N 3.49Å; S565-T569 PolarHBondContact O-OG1 3.3Å; I566-T569 PolarHBondContact O-N 2.96Å; T567-T569 VanDerWaalsContact C-N 3.31Å; T567-T569 PolarHBondContact O-N 3.03Å; T569-S572 PolarHBondContact O-N 2.97Å; T569-L573 WeakPolarHBondContact O-CB 3.3Å; T569-L573 PolarHBondContact O-N 2.96Å |
| 570 | M | 76.2 | Confident | 77.7 | Confident | 118 Ų | 118 | 84.5 Ų | 84.5 | 58% | 0.581 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 176.2 | -72.3 | -72.8 | -177.5 | 0 | 0 | 112.3 | I566 T567 L573 V574 | I566-M570 HydrophobicContact CG2-CG 4.37Å; I566-M570 WeakPolarHBondContact O-CB 3.38Å; I566-M570 VanDerWaalsContact O-CG 3.3Å; I566-M570 WeakPolarHBondContact O-CG 3.47Å; I566-M570 PolarHBondContact O-N 3.32Å; T567-M570 WeakPolarHBondContact O-CB 3.46Å; T567-M570 PolarHBondContact O-N 3.36Å; T567-M570 VanDerWaalsContact O-N 3.13Å; M570-L573 PolarHBondContact O-N 2.61Å; M570-V574 WeakPolarHBondContact O-CG2 3.48Å; M570-V574 PolarHBondContact O-N 3.49Å |
| 571 | T | 81.3 | Confident | 76.8 | Confident | 70 Ų | 70 | 84.9 Ų | 84.9 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | T567 N568 L573 V574 Q575 | T567-T571 PolarHBondContact O-N 2.98Å; T567-T571 PolarHBondContact O-OG1 2.98Å; T567-T571 VanDerWaalsContact O-OG1 3.06Å; N568-T571 PolarHBondContact O-N 2.88Å; T571-L573 VanDerWaalsContact C-N 3.33Å; T571-L573 PolarHBondContact O-N 3.26Å; T571-V574 PolarHBondContact O-N 3.44Å; T571-Q575 WeakPolarHBondContact O-CG 3.35Å; T571-Q575 PolarHBondContact O-N 3Å |
| 572 | S | 78.4 | Confident | 76 | Confident | 58 Ų | 58 | 87.5 Ų | 87.5 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 174.8 | -161.7 | 0 | 0 | 0 | 0 | 111.6 | N568 T569 Q575 E576 | N568-S572 PolarHBondContact O-N 3.42Å; T569-S572 PolarHBondContact O-N 2.97Å; S572-Q575 PolarHBondContact O-N 2.79Å; S572-E576 PolarHBondContact O-N 2.85Å |
| 573 | L | 78.2 | Confident | 75.2 | Confident | 83 Ų | 83 | 90.3 Ų | 90.3 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.4 | -36.1 | 178.9 | -138.1 | 161.9 | 0 | 0 | 0 | 111.9 | T569 M570 T571 L577 | T569-L573 WeakPolarHBondContact O-CB 3.3Å; T569-L573 PolarHBondContact O-N 2.96Å; M570-L573 PolarHBondContact O-N 2.61Å; T571-L573 VanDerWaalsContact C-N 3.33Å; T571-L573 PolarHBondContact O-N 3.26Å; L573-L577 HydrophobicContact CD2-CD1 3.74Å; L573-L577 HydrophobicContact CD2-CG 4.06Å; L573-L577 WeakPolarHBondContact O-CB 3.31Å; L573-L577 VanDerWaalsContact O-CG 3.22Å; L573-L577 WeakPolarHBondContact O-CG 3.39Å; L573-L577 PolarHBondContact O-N 2.78Å |
| 574 | V | 83.2 | Confident | 73.9 | Confident | 81 Ų | 81 | 94.2 Ų | 94.2 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -35.7 | 172.5 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | M570 T571 N578 | M570-V574 WeakPolarHBondContact O-CG2 3.48Å; M570-V574 PolarHBondContact O-N 3.49Å; T571-V574 PolarHBondContact O-N 3.44Å; V574-N578 WeakPolarHBondContact O-CB 3.46Å; V574-N578 VanDerWaalsContact O-CG 3.27Å; V574-N578 PolarHBondContact O-N 3.45Å |
| 575 | Q | 78.7 | Confident | 72.7 | Confident | 123 Ų | 123 | 95.7 Ų | 95.7 | 58% | 0.575 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -48.4 | 173.2 | -74.7 | 175.8 | -10 | 0 | 0 | 111.5 | T571 S572 L577 N578 T579 | T571-Q575 WeakPolarHBondContact O-CG 3.35Å; T571-Q575 PolarHBondContact O-N 3Å; S572-Q575 PolarHBondContact O-N 2.79Å; Q575-L577 VanDerWaalsContact C-N 3.35Å; Q575-L577 PolarHBondContact O-N 2.67Å; Q575-N578 PolarHBondContact O-N 3.21Å; Q575-T579 PolarHBondContact O-N 3.48Å; Q575-T579 PolarHBondContact O-OG1 3.46Å |
| 576 | E | 77.2 | Confident | 71.6 | Confident | 116 Ų | 116 | 98 Ų | 98 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 175.9 | -75.4 | 177.3 | 171.5 | 0 | 0 | 111.9 | S572 N578 T579 D580 | S572-E576 PolarHBondContact O-N 2.85Å; E576-N578 VanDerWaalsContact C-N 3.35Å; E576-N578 PolarHBondContact O-N 3.03Å; E576-T579 WeakPolarHBondContact CA-OG1 3.41Å; E576-T579 PolarHBondContact O-N 3.18Å; E576-T579 PolarHBondContact O-OG1 3.35Å; E576-D580 WeakPolarHBondContact O-CB 3.44Å; E576-D580 PolarHBondContact O-N 3.42Å |
| 577 | L | 75.1 | Confident | 70.4 | Confident | 93 Ų | 93 | 98.6 Ų | 98.6 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 176.8 | -73.7 | 169.9 | 0 | 0 | 0 | 113.3 | L573 Q575 L581 | L573-L577 HydrophobicContact CD2-CD1 3.74Å; L573-L577 HydrophobicContact CD2-CG 4.06Å; L573-L577 WeakPolarHBondContact O-CB 3.31Å; L573-L577 VanDerWaalsContact O-CG 3.22Å; L573-L577 WeakPolarHBondContact O-CG 3.39Å; L573-L577 PolarHBondContact O-N 2.78Å; Q575-L577 VanDerWaalsContact C-N 3.35Å; Q575-L577 PolarHBondContact O-N 2.67Å; L577-L581 VanDerWaalsContact O-CG 3.31Å; L577-L581 WeakPolarHBondContact O-CG 3.5Å; L577-L581 PolarHBondContact O-N 3.44Å |
| 578 | N | 74.7 | Confident | 69 | Low | 87 Ų | 87 | 99.8 Ų | 99.8 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.2 | -39 | 174.7 | -74 | -8.7 | 0 | 0 | 0 | 111.4 | V574 Q575 E576 L581 E582 | V574-N578 WeakPolarHBondContact O-CB 3.46Å; V574-N578 VanDerWaalsContact O-CG 3.27Å; V574-N578 PolarHBondContact O-N 3.45Å; Q575-N578 PolarHBondContact O-N 3.21Å; E576-N578 VanDerWaalsContact C-N 3.35Å; E576-N578 PolarHBondContact O-N 3.03Å; N578-L581 PolarHBondContact O-N 2.95Å; N578-E582 WeakPolarHBondContact O-CG 3.38Å; N578-E582 PolarHBondContact O-N 2.89Å |
| 579 | T | 72.9 | Confident | 67.7 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 37% | 0.368 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.9 | -31.7 | 176 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | Q575 E576 L581 Q583 | Q575-T579 PolarHBondContact O-N 3.48Å; Q575-T579 PolarHBondContact O-OG1 3.46Å; E576-T579 WeakPolarHBondContact CA-OG1 3.41Å; E576-T579 PolarHBondContact O-N 3.18Å; E576-T579 PolarHBondContact O-OG1 3.35Å; T579-L581 VanDerWaalsContact C-N 3.34Å; T579-Q583 WeakPolarHBondContact O-CB 3.44Å; T579-Q583 WeakPolarHBondContact O-CG 3.26Å; T579-Q583 PolarHBondContact O-N 3Å |
| 580 | D | 63.9 | Low | 66.3 | Low | 82 Ų | 82 | 99 Ų | 99 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 172.7 | -84 | 0.5 | 0 | 0 | 0 | 110.8 | E576 Q583 E584 | E576-D580 WeakPolarHBondContact O-CB 3.44Å; E576-D580 PolarHBondContact O-N 3.42Å; D580-Q583 PolarHBondContact O-N 3.45Å; D580-E584 WeakPolarHBondContact O-CB 3.43Å; D580-E584 WeakPolarHBondContact O-CG 3.33Å; D580-E584 PolarHBondContact O-N 2.94Å |
| 581 | L | 59.4 | Low | 65.2 | Low | 102 Ų | 102 | 98.3 Ų | 98.3 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68 | -43.5 | 174.6 | -71 | 169.8 | 0 | 0 | 0 | 112.3 | L577 N578 T579 Q583 E584 D585 | L577-L581 VanDerWaalsContact O-CG 3.31Å; L577-L581 WeakPolarHBondContact O-CG 3.5Å; L577-L581 PolarHBondContact O-N 3.44Å; N578-L581 PolarHBondContact O-N 2.95Å; T579-L581 VanDerWaalsContact C-N 3.34Å; L581-Q583 VanDerWaalsContact C-N 3.3Å; L581-Q583 PolarHBondContact O-N 3.08Å; L581-E584 PolarHBondContact O-N 3.21Å; L581-D585 PolarHBondContact O-N 2.88Å |
| 582 | E | 60.5 | Low | 63.7 | Low | 132 Ų | 132 | 97.9 Ų | 97.9 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.2 | -36.7 | 175.3 | -71.3 | 175.3 | 174.2 | 0 | 0 | 111.7 | N578 D586 | N578-E582 WeakPolarHBondContact O-CG 3.38Å; N578-E582 PolarHBondContact O-N 2.89Å; E582-D586 PolarHBondContact O-N 2.91Å; E582-D586 VanDerWaalsContact O-N 3.13Å |
| 583 | Q | 57.5 | Low | 62.3 | Low | 108 Ų | 108 | 98.1 Ų | 98.1 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.9 | -31.5 | 175.9 | -72.5 | 177.8 | 41.1 | 0 | 0 | 114 | T579 D580 L581 Q587 | T579-Q583 WeakPolarHBondContact O-CB 3.44Å; T579-Q583 WeakPolarHBondContact O-CG 3.26Å; T579-Q583 PolarHBondContact O-N 3Å; D580-Q583 PolarHBondContact O-N 3.45Å; L581-Q583 VanDerWaalsContact C-N 3.3Å; L581-Q583 PolarHBondContact O-N 3.08Å; Q583-Q587 WeakPolarHBondContact O-CB 3.43Å; Q583-Q587 VanDerWaalsContact O-CG 3.28Å; Q583-Q587 WeakPolarHBondContact O-CG 3.29Å; Q583-Q587 PolarHBondContact O-N 3.32Å |
| 584 | E | 53.1 | Low | 61 | Low | 127 Ų | 127 | 99 Ų | 99 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.8 | -32.5 | 172.3 | -78.3 | -169.3 | 168.9 | 0 | 0 | 112 | D580 L581 N588 | D580-E584 WeakPolarHBondContact O-CB 3.43Å; D580-E584 WeakPolarHBondContact O-CG 3.33Å; D580-E584 PolarHBondContact O-N 2.94Å; L581-E584 PolarHBondContact O-N 3.21Å; E584-N588 WeakPolarHBondContact O-CB 3.27Å; E584-N588 PolarHBondContact O-N 3.46Å; E584-N588 PolarHBondContact O-ND2 3.36Å |
| 585 | D | 55.8 | Low | 59.4 | Low | 120 Ų | 120 | 100.1 Ų | 100.1 | 64% | 0.642 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71 | -44.8 | 174 | -83.7 | -20.5 | 0 | 0 | 0 | 112 | L581 Q587 N588 A589 | L581-D585 PolarHBondContact O-N 2.88Å; D585-Q587 PolarHBondContact O-N 3.47Å; D585-N588 PolarHBondContact O-N 2.85Å; D585-A589 PolarHBondContact O-N 3.02Å |
| 586 | D | 56.3 | Low | 58.1 | Low | 119 Ų | 119 | 101.3 Ų | 101.3 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.2 | -41 | 174.7 | -86 | -14.4 | 0 | 0 | 0 | 112 | E582 N588 A589 D590 | E582-D586 PolarHBondContact O-N 2.91Å; E582-D586 VanDerWaalsContact O-N 3.13Å; D586-N588 VanDerWaalsContact C-N 3.35Å; D586-N588 PolarHBondContact O-N 3.27Å; D586-A589 WeakPolarHBondContact O-CB 3.34Å; D586-A589 PolarHBondContact O-N 3.32Å; D586-D590 PolarHBondContact O-N 2.9Å; D586-D590 VanDerWaalsContact O-N 3.12Å |
| 587 | Q | 53.5 | Low | 56.8 | Low | 120 Ų | 120 | 104.1 Ų | 104.1 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.1 | -27.3 | 176.9 | -72.5 | 178.2 | 28.7 | 0 | 0 | 113.1 | Q583 D585 N591 | Q583-Q587 WeakPolarHBondContact O-CB 3.43Å; Q583-Q587 VanDerWaalsContact O-CG 3.28Å; Q583-Q587 WeakPolarHBondContact O-CG 3.29Å; Q583-Q587 PolarHBondContact O-N 3.32Å; D585-Q587 PolarHBondContact O-N 3.47Å; Q587-N591 WeakPolarHBondContact O-CB 3.38Å; Q587-N591 PolarHBondContact O-N 3.44Å; Q587-N591 PolarHBondContact O-ND2 3.48Å |
| 588 | N | 51.7 | Low | 55.6 | Low | 103 Ų | 103 | 106.8 Ų | 106.8 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.2 | -31.1 | 170.7 | -81.8 | -49.2 | 0 | 0 | 0 | 112.3 | E584 D585 D586 A592 | E584-N588 WeakPolarHBondContact O-CB 3.27Å; E584-N588 PolarHBondContact O-N 3.46Å; E584-N588 PolarHBondContact O-ND2 3.36Å; D585-N588 PolarHBondContact O-N 2.85Å; D586-N588 VanDerWaalsContact C-N 3.35Å; D586-N588 PolarHBondContact O-N 3.27Å; N588-A592 WeakPolarHBondContact O-CB 3.43Å; N588-A592 PolarHBondContact O-N 2.92Å |
| 589 | A | 54.1 | Low | 54 | Low | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.2 | -47.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D585 D586 A592 A593 | D585-A589 PolarHBondContact O-N 3.02Å; D586-A589 WeakPolarHBondContact O-CB 3.34Å; D586-A589 PolarHBondContact O-N 3.32Å; A589-A592 PolarHBondContact O-N 2.7Å; A589-A593 PolarHBondContact O-N 2.98Å; A589-A593 VanDerWaalsContact O-N 3.12Å |
| 590 | D | 51.6 | Low | 52.2 | Low | 120 Ų | 120 | 111.7 Ų | 111.7 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.5 | -41.3 | 177.9 | -86.7 | -12.5 | 0 | 0 | 0 | 112.6 | D586 A592 A593 V594 | D586-D590 PolarHBondContact O-N 2.9Å; D586-D590 VanDerWaalsContact O-N 3.12Å; D590-A592 VanDerWaalsContact C-N 3.34Å; D590-A592 PolarHBondContact O-N 3.29Å; D590-A593 PolarHBondContact O-N 3.34Å; D590-V594 WeakPolarHBondContact O-CG2 3.22Å; D590-V594 PolarHBondContact O-N 3.08Å |
| 591 | N | 51.7 | Low | 51 | Low | 102 Ų | 102 | 116.3 Ų | 116.3 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -69.6 | -29.8 | 176.9 | -76.6 | -58.1 | 0 | 0 | 0 | 113.1 | Q587 C595 | Q587-N591 WeakPolarHBondContact O-CB 3.38Å; Q587-N591 PolarHBondContact O-N 3.44Å; Q587-N591 PolarHBondContact O-ND2 3.48Å; N591-C595 PolarHBondContact O-N 2.92Å; N591-C595 PolarHBondContact O-SG 3.42Å; N591-C595 VanDerWaalsContact O-SG 3.39Å |
| 592 | A | 50.9 | Low | 50.6 | Low | 61 Ų | 61 | 117 Ų | 117 | 50% | 0.504 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -70.6 | -31.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N588 A589 D590 | N588-A592 WeakPolarHBondContact O-CB 3.43Å; N588-A592 PolarHBondContact O-N 2.92Å; A589-A592 PolarHBondContact O-N 2.7Å; D590-A592 VanDerWaalsContact C-N 3.34Å; D590-A592 PolarHBondContact O-N 3.29Å |
| 593 | A | 49.3 | Very low | 50.1 | Low | 64 Ų | 64 | 116.2 Ų | 116.2 | 53% | 0.529 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -67.2 | -44.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A589 D590 C595 N596 | A589-A593 PolarHBondContact O-N 2.98Å; A589-A593 VanDerWaalsContact O-N 3.12Å; D590-A593 PolarHBondContact O-N 3.34Å; A593-C595 VanDerWaalsContact C-N 3.31Å; A593-C595 PolarHBondContact O-N 3.08Å; A593-N596 PolarHBondContact O-N 2.99Å |
| 594 | V | 51.1 | Low | 49.7 | Very low | 100 Ų | 100 | 116.7 Ų | 116.7 | 61% | 0.606 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -69 | -25.5 | -177.1 | 176.1 | 0 | 0 | 0 | 0 | 113.3 | D590 N596 | D590-V594 WeakPolarHBondContact O-CG2 3.22Å; D590-V594 PolarHBondContact O-N 3.08Å; V594-N596 PolarHBondContact O-N 3.06Å |
| 595 | C | 49.6 | Very low | 49.5 | Very low | 105 Ų | 105 | 116.1 Ų | 116.1 | 71% | 0.709 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -7.1 | -178.6 | -74.1 | 0 | 0 | 0 | 0 | 115.2 | N591 A593 | N591-C595 PolarHBondContact O-N 2.92Å; N591-C595 PolarHBondContact O-SG 3.42Å; N591-C595 VanDerWaalsContact O-SG 3.39Å; A593-C595 VanDerWaalsContact C-N 3.31Å; A593-C595 PolarHBondContact O-N 3.08Å |
| 596 | N | 49.7 | Very low | 49.1 | Very low | 148 Ų | 148 | 115.8 Ų | 115.8 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -5.4 | -172 | -115 | -5.7 | 0 | 0 | 0 | 115.6 | A593 V594 | A593-N596 PolarHBondContact O-N 2.99Å; V594-N596 PolarHBondContact O-N 3.06Å |
| 597 | E | 50.6 | Low | 48.6 | Very low | 175 Ų | 175 | 115.6 Ų | 115.6 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -97.6 | -5.6 | -177.7 | -67.9 | -160.8 | 118 | 0 | 0 | 115.3 | ||
| 598 | N | 49.9 | Very low | 48.2 | Very low | 149 Ų | 149 | 115.3 Ų | 115.3 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -110.1 | 24.8 | -171.1 | -70.6 | -59 | 0 | 0 | 0 | 115.1 | ||
| 599 | G | 41.3 | Very low | 48 | Very low | 71 Ų | 71 | 116.2 Ų | 116.2 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -117.9 | 0.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 600 | L | 35.7 | Very low | 47.5 | Very low | 179 Ų | 179 | 121.1 Ų | 121.1 | 94% | 0.937 | 76% | 0.758 | S | S | * | * | trans | -136.3 | 77.1 | -172.7 | -82.4 | 164.1 | 0 | 0 | 0 | 112.5 | ||||
| 601 | A | 38.2 | Very low | 47.1 | Very low | 179 Ų | 179 | 121.2 Ų | 121.2 | 100% | 1.479 | 77% | 0.768 | S | S | * | * | trans | -156.3 | 0 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 601 of 601 residues in 751.4 ms
(Link to these results)