| 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 | 44.6 | Very low | 45.7 | Very low | 248 Ų | 248 | 124.9 Ų | 124.9 | 100% | 1.222 | 73% | 0.725 | S | S | * | * | 0 | 77.7 | 0 | -70 | -161.7 | -73.9 | 0 | 0 | 108.9 | |||||
| 2 | A | 37.9 | Very low | 45.4 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | trans | -128.6 | 100.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | A | 40.4 | Very low | 45 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | trans | -174.9 | 142.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 4 | H | 49.2 | Very low | 44.6 | Very low | 176 Ų | 176 | 123 Ų | 123 | 82% | 0.815 | 70% | 0.697 | S | S | * | * | trans | 125.3 | 7.9 | 168.3 | -59.1 | -51.5 | 0 | 0 | 0 | 117.8 | ||||
| 5 | L | 49.3 | Very low | 44.3 | Very low | 153 Ų | 153 | 121.8 Ų | 121.8 | 80% | 0.801 | 69% | 0.687 | S | S | * | * | trans | -94.4 | 5.4 | 174 | -78.1 | 163.2 | 0 | 0 | 0 | 115.3 | ||||
| 6 | L | 50.8 | Low | 43.8 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 84% | 0.838 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -92.7 | -11.5 | -172.6 | -90 | 143.5 | 0 | 0 | 0 | 118.6 | ||
| 7 | P | 49.1 | Very low | 43.3 | Very low | 81 Ų | 81 | 121.5 Ų | 121.5 | 53% | 0.526 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -89 | -10.8 | -179.9 | 34.2 | -31.1 | 0 | 0 | 0 | 114 | ||
| 8 | I | 48.4 | Very low | 43.1 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 54% | 0.544 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -84.1 | -33.4 | -173.1 | -60.8 | 171.3 | 0 | 0 | 0 | 111.6 | F12 | I8-F12 HydrophobicContact CG2-CD2 4.49Å; I8-F12 PolarHBondContact O-N 3.48Å |
| 9 | C | 43.9 | Very low | 43.1 | Very low | 92 Ų | 92 | 118.3 Ų | 118.3 | 62% | 0.622 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.8 | -28.3 | 176 | -75.8 | 0 | 0 | 0 | 0 | 113.3 | L13 | C9-L13 PolarHBondContact O-N 2.81Å |
| 10 | A | 45.2 | Very low | 43.2 | Very low | 58 Ų | 58 | 118.7 Ų | 118.7 | 48% | 0.479 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -71.9 | -35.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F12 L13 T14 | A10-F12 VanDerWaalsContact C-N 3.35Å; A10-L13 PolarHBondContact O-N 3.16Å; A10-T14 PolarHBondContact O-N 3.34Å; A10-T14 PolarHBondContact O-OG1 3.06Å |
| 11 | L | 44 | Very low | 43.6 | Very low | 116 Ų | 116 | 113.8 Ų | 113.8 | 61% | 0.607 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.6 | -35.9 | 175.9 | -115.8 | 98.6 | 0 | 0 | 0 | 112.3 | T14 L15 | L11-T14 PolarHBondContact O-OG1 3.44Å; L11-L15 WeakPolarHBondContact O-CD1 3.33Å; L11-L15 WeakPolarHBondContact O-CG 3.06Å; L11-L15 PolarHBondContact O-N 3.09Å |
| 12 | F | 42 | Very low | 44.7 | Very low | 137 Ų | 137 | 106.9 Ų | 106.9 | 60% | 0.601 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.4 | -35.3 | 177.3 | -96.5 | -83.9 | 0 | 0 | 0 | 112.9 | I8 A10 L15 L16 | I8-F12 HydrophobicContact CG2-CD2 4.49Å; I8-F12 PolarHBondContact O-N 3.48Å; A10-F12 VanDerWaalsContact C-N 3.35Å; F12-L15 PolarHBondContact O-N 3.02Å; F12-L16 WeakPolarHBondContact O-CD1 3.42Å; F12-L16 PolarHBondContact O-N 2.83Å |
| 13 | L | 40.6 | Very low | 46.7 | Very low | 123 Ų | 123 | 104.9 Ų | 104.9 | 64% | 0.644 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.9 | -37 | 176.5 | -77.7 | 157.6 | 0 | 0 | 0 | 112.1 | C9 A10 L15 L16 | C9-L13 PolarHBondContact O-N 2.81Å; A10-L13 PolarHBondContact O-N 3.16Å; L13-L15 VanDerWaalsContact C-N 3.27Å; L13-L15 PolarHBondContact O-N 3.2Å; L13-L16 PolarHBondContact O-N 3.08Å |
| 14 | T | 39.7 | Very low | 49.1 | Very low | 88 Ų | 88 | 102 Ų | 102 | 54% | 0.54 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71 | -19 | 175.6 | 52.4 | 0 | 0 | 0 | 0 | 114.4 | A10 L11 | A10-T14 PolarHBondContact O-N 3.34Å; A10-T14 PolarHBondContact O-OG1 3.06Å; L11-T14 PolarHBondContact O-OG1 3.44Å |
| 15 | L | 38.8 | Very low | 51.2 | Low | 105 Ų | 105 | 95.9 Ų | 95.9 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -87.6 | -26.4 | 178.2 | -81.4 | 160.4 | 0 | 0 | 0 | 112.7 | L11 F12 L13 | L11-L15 WeakPolarHBondContact O-CD1 3.33Å; L11-L15 WeakPolarHBondContact O-CG 3.06Å; L11-L15 PolarHBondContact O-N 3.09Å; F12-L15 PolarHBondContact O-N 3.02Å; L13-L15 VanDerWaalsContact C-N 3.27Å; L13-L15 PolarHBondContact O-N 3.2Å |
| 16 | L | 37.1 | Very low | 53.4 | Low | 122 Ų | 122 | 89.7 Ų | 89.7 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -74.5 | -34.6 | 174.6 | -95.5 | 107.3 | 0 | 0 | 0 | 112.6 | F12 L13 M18 A19 | F12-L16 WeakPolarHBondContact O-CD1 3.42Å; F12-L16 PolarHBondContact O-N 2.83Å; L13-L16 PolarHBondContact O-N 3.08Å; L16-M18 PolarHBondContact O-N 3.48Å; L16-M18 VanDerWaalsContact O-N 3.12Å; L16-A19 PolarHBondContact O-N 2.94Å |
| 17 | D | 35.2 | Very low | 55.4 | Low | 116 Ų | 116 | 84.2 Ų | 84.2 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -3.2 | 176 | -87.6 | -10 | 0 | 0 | 0 | 114.4 | F22 | D17-F22 WeakPolarHBondContact O-CD2 3.49Å; D17-F22 WeakPolarHBondContact O-CE2 3.28Å |
| 18 | M | 39.6 | Very low | 57.6 | Low | 124 Ų | 124 | 85.6 Ų | 85.6 | 61% | 0.611 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | -2.2 | 175 | -66.8 | -139.9 | -84.4 | 0 | 0 | 113.7 | L16 | L16-M18 PolarHBondContact O-N 3.48Å; L16-M18 VanDerWaalsContact O-N 3.12Å |
| 19 | A | 42.3 | Very low | 59.9 | Low | 59 Ų | 59 | 85.5 Ų | 85.5 | 49% | 0.488 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -28 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L16 R240 | L16-A19 PolarHBondContact O-N 2.94Å; A19-R240 PolarHBondContact O-NH2 3.31Å |
| 20 | Q | 44.9 | Very low | 62.5 | Low | 126 Ų | 126 | 84.8 Ų | 84.8 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -99.2 | 142.2 | -180 | -72.6 | 179.1 | -20.9 | 0 | 0 | 111.5 | F22 | Q20-F22 VanDerWaalsContact C-N 3.33Å; Q20-F22 HydrophobicContact CB-CD2 4.35Å; Q20-F22 HydrophobicContact CB-CE1 4.47Å; Q20-F22 HydrophobicContact CB-CE2 3.76Å; Q20-F22 HydrophobicContact CB-CZ 3.85Å; Q20-F22 WeakPolarHBondContact O-CD2 3.36Å; Q20-F22 VanDerWaalsContact O-CE2 3.31Å; Q20-F22 WeakPolarHBondContact O-CE2 3.19Å; Q20-F22 PolarHBondContact O-N 3.48Å |
| 21 | G | 51.8 | Low | 65 | Low | 15 Ų | 15 | 82.3 Ų | 82.3 | 16% | 0.155 | 44% | 0.438 | C | S | . | . | trans | -67.7 | 87.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R23 P422 | G21-R23 PolarHBondContact O-N 3.44Å; G21-P422 VanDerWaalsContact O-CG 3.26Å; G21-P422 WeakPolarHBondContact O-CG 3.29Å | ||
| 22 | F | 68.3 | Low | 67.6 | Low | 103 Ų | 103 | 76.9 Ų | 76.9 | 45% | 0.452 | 41% | 0.409 | S | S | . | . | trans | -74.8 | 16.6 | -179.4 | -68 | -79.6 | 0 | 0 | 0 | 114.6 | D17 Q20 P422 | D17-F22 WeakPolarHBondContact O-CD2 3.49Å; D17-F22 WeakPolarHBondContact O-CE2 3.28Å; Q20-F22 VanDerWaalsContact C-N 3.33Å; Q20-F22 HydrophobicContact CB-CD2 4.35Å; Q20-F22 HydrophobicContact CB-CE1 4.47Å; Q20-F22 HydrophobicContact CB-CE2 3.76Å; Q20-F22 HydrophobicContact CB-CZ 3.85Å; Q20-F22 WeakPolarHBondContact O-CD2 3.36Å; Q20-F22 VanDerWaalsContact O-CE2 3.31Å; Q20-F22 WeakPolarHBondContact O-CE2 3.19Å; Q20-F22 PolarHBondContact O-N 3.48Å; F22-P422 HydrophobicContact CD1-CB 4.47Å | ||
| 23 | R | 79.4 | Confident | 70.3 | Confident | 62 Ų | 62 | 70.5 Ų | 70.5 | 23% | 0.234 | 38% | 0.381 | C | S | . | . | trans | -83.4 | 129.1 | -178.1 | -68.3 | -137.3 | -141.6 | -168.9 | 12.8 | 111.6 | G21 S123 R196 L198 P422 | G21-R23 PolarHBondContact O-N 3.44Å; R23-S123 PolarHBondContact NH1-O 2.85Å; R23-S123 VanDerWaalsContact NH2-C 3.32Å; R23-S123 PolarHBondContact NH2-O 3.44Å; R23-R196 PolarHBondContact NH2-O 3.01Å; R23-L198 VanDerWaalsContact NH2-CD2 3.31Å; R23-L198 VanDerWaalsContact NH2-CG 3.26Å; R23-P422 VanDerWaalsContact O-CD 3.28Å; R23-P422 WeakPolarHBondContact O-CD 3.42Å | ||
| 24 | G | 91.3 | Very high | 73.1 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -77.7 | -122.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y421 | G24-Y421 VanDerWaalsContact C-CD1 3.46Å; G24-Y421 VanDerWaalsContact CA-CG 3.42Å |
| 25 | P | 94.3 | Very high | 75.9 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 31% | 0.312 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -68.3 | 146 | 170.2 | 33.4 | -33.6 | 0 | 0 | 0 | 109.7 | L27 R30 Y421 | P25-L27 VanDerWaalsContact C-N 3.32Å; P25-L27 WeakPolarHBondContact CB-O 3.39Å; P25-R30 VanDerWaalsContact CB-O 3.29Å; P25-R30 WeakPolarHBondContact CB-O 3.44Å; P25-Y421 HydrophobicContact CB-CE1 4.48Å; P25-Y421 HydrophobicContact CG-CE2 4.23Å |
| 26 | L | 93.9 | Very high | 78.6 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -68.5 | -35.9 | -177.6 | -61.3 | -173.6 | 0 | 0 | 0 | 111.9 | L198 P282 L284 A316 | L26-L198 HydrophobicContact CD1-CD1 4.01Å; L26-L198 HydrophobicContact CD2-CD1 3.76Å; L26-P282 HydrophobicContact CD2-CB 4.46Å; L26-P282 HydrophobicContact CD2-CG 4.35Å; L26-L284 HydrophobicContact CD1-CD1 4.25Å; L26-L284 HydrophobicContact CD1-CD2 3.71Å; L26-L284 HydrophobicContact CD1-CG 4.37Å; L26-A316 HydrophobicContact CD1-CB 4.02Å; L26-A316 HydrophobicContact CG-CB 4.32Å |
| 27 | L | 94.5 | Very high | 81.4 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -125.1 | 154.5 | 172.6 | -66 | 172.7 | 0 | 0 | 0 | 109.6 | P25 N29 R30 T33 D57 V58 | P25-L27 VanDerWaalsContact C-N 3.32Å; P25-L27 WeakPolarHBondContact CB-O 3.39Å; L27-N29 PolarHBondContact O-N 3.19Å; L27-R30 HydrophobicContact CB-CB 4.09Å; L27-R30 HydrophobicContact CB-CG 4.14Å; L27-R30 PolarHBondContact O-N 3.48Å; L27-R30 VanDerWaalsContact O-N 3.14Å; L27-T33 HydrophobicContact CD1-CG2 3.9Å; L27-T33 HydrophobicContact CG-CG2 4.48Å; L27-D57 HydrophobicContact CD1-CB 3.72Å; L27-V58 HydrophobicContact CD1-CG2 4.05Å |
| 28 | P | 94.8 | Very high | 84.2 | Confident | 110 Ų | 110 | 44.2 Ų | 44.2 | 71% | 0.714 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 134.2 | 176.9 | -25.9 | 35 | 0 | 0 | 0 | 112 | R30 | P28-R30 PolarHBondContact O-N 3.25Š|
| 29 | N | 96.6 | Very high | 86.6 | Confident | 103 Ų | 103 | 40.1 Ų | 40.1 | 55% | 0.551 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 31.1 | -179.3 | -55.6 | -43.1 | 0 | 0 | 0 | 114.4 | L27 L356 | L27-N29 PolarHBondContact O-N 3.19Å; N29-L356 HydrophobicContact CB-CD1 3.95Å; N29-L356 HydrophobicContact CB-CD2 4.14Å; N29-L356 WeakPolarHBondContact O-CD1 3.33Å |
| 30 | R | 98 | Very high | 89 | Confident | 77 Ų | 77 | 37.9 Ų | 37.9 | 29% | 0.291 | 20% | 0.201 | S | C | . | . | B | Isolated β-bridge | trans | -128.6 | 80.8 | 175.8 | -67 | -60.7 | -172.4 | -90.4 | -6.8 | 112.2 | P25 L27 P28 F32 D57 | P25-R30 VanDerWaalsContact CB-O 3.29Å; P25-R30 WeakPolarHBondContact CB-O 3.44Å; L27-R30 HydrophobicContact CB-CB 4.09Å; L27-R30 HydrophobicContact CB-CG 4.14Å; L27-R30 PolarHBondContact O-N 3.48Å; L27-R30 VanDerWaalsContact O-N 3.14Å; P28-R30 PolarHBondContact O-N 3.25Å; R30-F32 PolarHBondContact O-N 2.79Å; R30-D57 IonicContact CZ-OD1 3.59Å; R30-D57 IonicContact NE-OD1 3.56Å; R30-D57 PolarHBondContact NE-OD1 3.05Å; R30-D57 IonicContact NE-OD2 2.7Å; R30-D57 IonicContact NH2-OD1 3.32Å; R30-D57 PolarHBondContact NH2-OD1 3.22Å; R30-D57 VanDerWaalsContact NH2-OD1 3.14Å |
| 31 | P | 98.3 | Very high | 91.3 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -58.5 | -35.4 | 164.4 | 23.3 | -30.7 | 0 | 0 | 0 | 110.8 | A355 L356 R368 Y421 | P31-A355 VanDerWaalsContact CG-C 3.49Å; P31-A355 HydrophobicContact CG-CB 4.02Å; P31-A355 WeakPolarHBondContact CG-O 3.44Å; P31-L356 HydrophobicContact CG-CB 4.34Å; P31-R368 HydrophobicContact CB-CG 4.21Å; P31-R368 PolarHBondContact O-NH1 3.41Å; P31-R368 PolarHBondContact O-NH2 2.69Å; P31-Y421 WeakPolarHBondContact CA-OH 3.36Å; P31-Y421 WeakPolarHBondContact CB-OH 3.13Å |
| 32 | F | 98.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -120.4 | 107 | 175.4 | -172.1 | -113 | 0 | 0 | 0 | 108.9 | R30 T34 A311 A315 V318 V351 T352 A355 | R30-F32 PolarHBondContact O-N 2.79Å; F32-T34 HydrophobicContact CD1-CG2 4.3Å; F32-T34 HydrophobicContact CE1-CG2 4.14Å; F32-A311 HydrophobicContact CD1-CB 4.01Å; F32-A311 HydrophobicContact CD2-CB 3.68Å; F32-A311 HydrophobicContact CE1-CB 4.02Å; F32-A311 HydrophobicContact CE2-CB 3.7Å; F32-A311 HydrophobicContact CG-CB 3.83Å; F32-A311 HydrophobicContact CZ-CB 3.86Å; F32-A315 WeakPolarHBondContact CD2-O 3.48Å; F32-A315 HydrophobicContact CE2-CB 4.2Å; F32-V318 HydrophobicContact CE1-CG2 3.98Å; F32-V318 HydrophobicContact CE2-CG1 3.89Å; F32-V318 HydrophobicContact CE2-CG2 4.42Å; F32-V318 HydrophobicContact CZ-CB 4.16Å; F32-V318 HydrophobicContact CZ-CG1 3.57Å; F32-V318 HydrophobicContact CZ-CG2 3.61Å; F32-V351 HydrophobicContact CD1-CG1 4.21Å; F32-V351 HydrophobicContact CD1-CG2 4.33Å; F32-V351 HydrophobicContact CE1-CG1 3.94Å; F32-V351 HydrophobicContact CE1-CG2 4.19Å; F32-T352 HydrophobicContact CD1-CG2 4.2Å; F32-A355 HydrophobicContact CB-CB 3.85Å |
| 33 | T | 98.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141.5 | -179.3 | -59.8 | 0 | 0 | 0 | 0 | 111 | L27 D57 A316 G317 V318 | L27-T33 HydrophobicContact CD1-CG2 3.9Å; L27-T33 HydrophobicContact CG-CG2 4.48Å; T33-D57 WeakPolarHBondContact CA-OD2 3.33Å; T33-D57 HydrophobicContact CG2-CB 3.99Å; T33-A316 PolarHBondContact N-O 2.94Å; T33-G317 CarbonylContact O-C 3.5Å; T33-G317 WeakPolarHBondContact O-CA 3.2Å; T33-V318 PolarHBondContact O-N 3.49Å |
| 34 | T | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.8 | 177.7 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | F32 D57 V58 V318 I348 T352 | F32-T34 HydrophobicContact CD1-CG2 4.3Å; F32-T34 HydrophobicContact CE1-CG2 4.14Å; T34-D57 PolarHBondContact N-OD2 2.83Å; T34-D57 PolarHBondContact O-N 3.23Å; T34-D57 VanDerWaalsContact O-N 3.14Å; T34-D57 PolarHBondContact OG1-N 2.75Å; T34-D57 PolarHBondContact OG1-OD2 3.26Å; T34-V58 PolarHBondContact O-N 2.88Å; T34-V318 HydrophobicContact CG2-CG2 4.06Å; T34-I348 HydrophobicContact CG2-CD1 4.14Å; T34-I348 HydrophobicContact CG2-CG2 4.11Å; T34-T352 HydrophobicContact CG2-CG2 3.71Å |
| 35 | V | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 114.8 | 178 | -175.4 | 0 | 0 | 0 | 0 | 109 | N37 V58 A60 M71 L125 V318 V319 L320 | V35-N37 PolarHBondContact O-N 2.89Å; V35-V58 CarbonylContact C-O 3.3Å; V35-V58 WeakPolarHBondContact CA-O 3.45Å; V35-V58 HydrophobicContact CB-CB 4.4Å; V35-V58 HydrophobicContact CG1-CB 4.11Å; V35-V58 HydrophobicContact CG1-CG1 4Å; V35-V58 HydrophobicContact CG2-CB 4.11Å; V35-V58 HydrophobicContact CG2-CG2 4.45Å; V35-A60 HydrophobicContact CG1-CB 4.11Å; V35-M71 HydrophobicContact CG1-SD 3.56Å; V35-M71 VanDerWaalsContact CG1-SD 3.56Å; V35-L125 HydrophobicContact CG2-CD2 4.19Å; V35-V318 PolarHBondContact N-O 2.63Å; V35-V319 HydrophobicContact CB-CG1 4.4Å; V35-V319 HydrophobicContact CB-CG2 4.29Å; V35-V319 HydrophobicContact CG1-CG1 4.44Å; V35-V319 HydrophobicContact CG2-CG2 4.47Å; V35-L320 WeakPolarHBondContact O-CD1 3.4Å; V35-L320 PolarHBondContact O-N 3.48Å |
| 36 | W | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 104.5 | 171.1 | -176.9 | -116.1 | 0 | 0 | 0 | 109.8 | A38 T40 V53 F56 V58 V59 A60 I289 L320 V322 I336 M340 L344 | W36-A38 HydrophobicContact CD2-CB 4.05Å; W36-A38 HydrophobicContact CH2-CB 4.11Å; W36-A38 HydrophobicContact CZ2-CB 3.38Å; W36-T40 HydrophobicContact CZ2-CG2 3.58Å; W36-T40 PolarHBondContact NE1-OG1 2.82Å; W36-T40 VanDerWaalsContact NE1-OG1 3.12Å; W36-V53 VanDerWaalsContact CD1-CG1 3.44Å; W36-V53 HydrophobicContact CD2-CG1 4.49Å; W36-V53 HydrophobicContact CG-CG1 4.15Å; W36-V53 VanDerWaalsContact NE1-CG1 3.31Å; W36-F56 HydrophobicContact CB-CB 3.99Å; W36-F56 HydrophobicContact CB-CD1 4Å; W36-F56 HydrophobicContact CB-CD2 3.64Å; W36-F56 HydrophobicContact CB-CE1 4.41Å; W36-F56 HydrophobicContact CB-CE2 4.09Å; W36-F56 HydrophobicContact CB-CG 3.6Å; W36-F56 HydrophobicContact CB-CZ 4.45Å; W36-F56 HydrophobicContact CD2-CD2 4.25Å; W36-F56 AromaticContact CD2-CE2 3.8Å; W36-F56 HydrophobicContact CD2-CE2 3.8Å; W36-F56 AromaticContact CD2-CZ 4Å; W36-F56 HydrophobicContact CD2-CZ 4Å; W36-F56 HydrophobicContact CE3-CD2 4.44Å; W36-F56 AromaticContact CE3-CE1 3.91Å; W36-F56 HydrophobicContact CE3-CE1 3.91Å; W36-F56 AromaticContact CE3-CE2 3.71Å; W36-F56 HydrophobicContact CE3-CE2 3.71Å; W36-F56 AromaticContact CE3-CZ 3.4Å; W36-F56 HydrophobicContact CE3-CZ 3.4Å; W36-F56 VanDerWaalsContact CE3-CZ 3.4Å; W36-F56 AromaticContact CG-CD2 3.94Å; W36-F56 HydrophobicContact CG-CD2 3.94Å; W36-F56 AromaticContact CG-CE2 4Å; W36-F56 HydrophobicContact CG-CE2 4Å; W36-F56 HydrophobicContact CG-CG 4.38Å; W36-F56 HydrophobicContact CG-CZ 4.46Å; W36-F56 HydrophobicContact CZ3-CE2 4.4Å; W36-F56 AromaticContact CZ3-CZ 3.95Å; W36-F56 HydrophobicContact CZ3-CZ 3.95Å; W36-V58 PolarHBondContact N-O 3.3Å; W36-V59 HydrophobicContact CB-CG2 4.44Å; W36-A60 PolarHBondContact O-N 3.14Å; W36-I289 HydrophobicContact CH2-CD1 4.07Å; W36-I289 HydrophobicContact CZ3-CG2 4.35Å; W36-L320 HydrophobicContact CE3-CB 3.91Å; W36-L320 HydrophobicContact CE3-CD2 4.28Å; W36-L320 HydrophobicContact CZ3-CB 4.21Å; W36-L320 HydrophobicContact CZ3-CD2 4.29Å; W36-V322 HydrophobicContact CH2-CG2 3.57Å; W36-V322 HydrophobicContact CZ2-CG2 4.14Å; W36-V322 HydrophobicContact CZ3-CG2 3.91Å; W36-I336 HydrophobicContact CH2-CG2 4.5Å; W36-I336 HydrophobicContact CZ2-CG2 4.47Å; W36-M340 HydrophobicContact CE3-CE 4.4Å; W36-M340 HydrophobicContact CH2-CE 3.79Å; W36-M340 HydrophobicContact CZ2-CE 4.01Å; W36-M340 HydrophobicContact CZ3-CE 4.01Å; W36-L344 HydrophobicContact CH2-CD2 4.47Å; W36-L344 HydrophobicContact CZ3-CD2 3.97Å |
| 37 | N | 95.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 64.9 | 179.6 | -172.7 | -139.8 | 0 | 0 | 0 | 111.6 | V35 A60 I73 V319 L320 W321 V322 | V35-N37 PolarHBondContact O-N 2.89Å; N37-A60 VanDerWaalsContact CA-O 3.31Å; N37-A60 WeakPolarHBondContact CA-O 3.39Å; N37-A60 PolarHBondContact ND2-O 3.22Å; N37-I73 VanDerWaalsContact OD1-CD1 3.22Å; N37-I73 WeakPolarHBondContact OD1-CD1 3.27Å; N37-V319 HydrophobicContact CB-CG1 3.75Å; N37-L320 CarbonylContact C-O 3.53Å; N37-L320 VanDerWaalsContact CA-O 3.32Å; N37-L320 WeakPolarHBondContact CA-O 3.4Å; N37-L320 PolarHBondContact N-O 3.19Å; N37-W321 WeakPolarHBondContact O-CA 3.33Å; N37-V322 PolarHBondContact O-N 2.85Å; N37-V322 VanDerWaalsContact O-N 3.11Å |
| 38 | A | 93.3 | Very high | 96 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -132.2 | 154.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | W36 T40 P62 V322 | W36-A38 HydrophobicContact CD2-CB 4.05Å; W36-A38 HydrophobicContact CH2-CB 4.11Å; W36-A38 HydrophobicContact CZ2-CB 3.38Å; A38-T40 HydrophobicContact CB-CG2 4.21Å; A38-T40 PolarHBondContact O-N 3.18Å; A38-T40 VanDerWaalsContact O-N 3.15Å; A38-P62 WeakPolarHBondContact O-CD 3.3Å; A38-V322 HydrophobicContact CB-CB 3.52Å; A38-V322 HydrophobicContact CB-CG1 4.41Å; A38-V322 HydrophobicContact CB-CG2 3.66Å |
| 39 | N | 91.6 | Very high | 96.1 | Very high | 38 Ų | 38 | 44.3 Ų | 44.3 | 20% | 0.203 | 22% | 0.218 | C | C | . | . | trans | -88.2 | 51.2 | 175.6 | -163.6 | 1.6 | 0 | 0 | 0 | 111.7 | Q41 W42 N61 P62 | N39-Q41 PolarHBondContact O-N 3.49Å; N39-W42 WeakPolarHBondContact O-CB 3.11Å; N39-W42 PolarHBondContact O-N 3.43Å; N39-W42 VanDerWaalsContact O-N 3.12Å; N39-W42 PolarHBondContact OD1-N 3.42Å; N39-N61 PolarHBondContact OD1-ND2 3.12Å; N39-N61 PolarHBondContact OD1-OD1 3.42Å; N39-P62 HydrophobicContact CB-CG 4.12Å | ||
| 40 | T | 91.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68 | -18.6 | 177.1 | 46.5 | 0 | 0 | 0 | 0 | 112.8 | W36 A38 W42 C43 L44 V51 | W36-T40 HydrophobicContact CZ2-CG2 3.58Å; W36-T40 PolarHBondContact NE1-OG1 2.82Å; W36-T40 VanDerWaalsContact NE1-OG1 3.12Å; A38-T40 HydrophobicContact CB-CG2 4.21Å; A38-T40 PolarHBondContact O-N 3.18Å; A38-T40 VanDerWaalsContact O-N 3.15Å; T40-W42 PolarHBondContact O-N 2.89Å; T40-C43 VanDerWaalsContact O-CB 3.28Å; T40-C43 WeakPolarHBondContact O-CB 2.98Å; T40-C43 PolarHBondContact O-N 2.87Å; T40-C43 VanDerWaalsContact O-N 3.07Å; T40-L44 PolarHBondContact O-N 2.84Å; T40-V51 HydrophobicContact CG2-CB 3.92Å; T40-V51 HydrophobicContact CG2-CG1 4.02Å; T40-V51 HydrophobicContact CG2-CG2 3.99Å |
| 41 | Q | 92.7 | Very high | 96 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.7 | -40.5 | 168.4 | -176.5 | 179.4 | -6.2 | 0 | 0 | 111.4 | N39 C43 L44 E45 N61 T65 | N39-Q41 PolarHBondContact O-N 3.49Å; Q41-C43 VanDerWaalsContact C-N 3.33Å; Q41-C43 PolarHBondContact O-N 3.04Å; Q41-L44 PolarHBondContact O-N 3.46Å; Q41-E45 HydrophobicContact CG-CG 4.33Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.47Å; Q41-E45 PolarHBondContact NE2-OE1 3.04Å; Q41-E45 WeakPolarHBondContact O-CG 3.46Å; Q41-E45 PolarHBondContact O-N 2.03Å; Q41-N61 PolarHBondContact OE1-ND2 3.15Å; Q41-N61 VanDerWaalsContact OE1-ND2 3.14Å; Q41-T65 PolarHBondContact OE1-OG1 3.22Å |
| 42 | W | 93 | Very high | 95.8 | Very high | 108 Ų | 108 | 42 Ų | 42 | 41% | 0.409 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.5 | -37.9 | 174.2 | 176.7 | -97.3 | 0 | 0 | 0 | 112.4 | N39 T40 L44 E45 R46 H47 | N39-W42 WeakPolarHBondContact O-CB 3.11Å; N39-W42 PolarHBondContact O-N 3.43Å; N39-W42 VanDerWaalsContact O-N 3.12Å; N39-W42 PolarHBondContact OD1-N 3.42Å; T40-W42 PolarHBondContact O-N 2.89Å; W42-L44 VanDerWaalsContact C-N 3.3Å; W42-L44 PolarHBondContact O-N 3.32Å; W42-E45 PolarHBondContact O-N 3.39Å; W42-R46 HydrophobicContact CD2-CB 3.93Å; W42-R46 HydrophobicContact CD2-CG 4.47Å; W42-R46 HydrophobicContact CE3-CB 4.4Å; W42-R46 HydrophobicContact CG-CB 4.32Å; W42-R46 HydrophobicContact CH2-CB 4.46Å; W42-R46 HydrophobicContact CH2-CG 4.23Å; W42-R46 HydrophobicContact CZ2-CB 3.98Å; W42-R46 HydrophobicContact CZ2-CG 3.6Å; W42-R46 WeakPolarHBondContact O-CA 3.49Å; W42-R46 WeakPolarHBondContact O-CB 3.03Å; W42-R46 PolarHBondContact O-N 3.17Å; W42-H47 AromaticContact NE1-NE2 3.97Å |
| 43 | C | 95.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 175.4 | -68.4 | 0 | 0 | 0 | 0 | 112 | T40 Q41 H47 G48 V49 C333 | T40-C43 VanDerWaalsContact O-CB 3.28Å; T40-C43 WeakPolarHBondContact O-CB 2.98Å; T40-C43 PolarHBondContact O-N 2.87Å; T40-C43 VanDerWaalsContact O-N 3.07Å; Q41-C43 VanDerWaalsContact C-N 3.33Å; Q41-C43 PolarHBondContact O-N 3.04Å; C43-H47 CarbonylContact O-C 3.52Å; C43-H47 WeakPolarHBondContact O-CA 3.38Å; C43-H47 WeakPolarHBondContact O-CB 3.4Å; C43-H47 PolarHBondContact O-N 3.36Å; C43-G48 PolarHBondContact O-N 2.96Å; C43-V49 CarbonylContact C-O 3.52Å; C43-V49 VanDerWaalsContact C-O 3.3Å; C43-V49 HydrophobicContact CB-CB 4.4Å; C43-V49 PolarHBondContact O-N 3.35Å; C43-V49 VanDerWaalsContact O-N 3.09Å; C43-C333 WeakPolarHBondContact CA-SG 3.4Å; C43-C333 HydrophobicContact CB-CB 3.54Å; C43-C333 WeakPolarHBondContact CB-SG 3.06Å; C43-C333 WeakPolarHBondContact SG-CB 3.41Å; C43-C333 CovalentContact SG-SG 2.03Å; C43-C333 PolarHBondContact SG-SG 3.38Å |
| 44 | L | 95.6 | Very high | 95.5 | Very high | 83 Ų | 83 | 46.1 Ų | 46.1 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.2 | -54.5 | 177.2 | 179.5 | 59.3 | 0 | 0 | 0 | 111.2 | T40 Q41 W42 R46 G48 V49 D50 | T40-L44 PolarHBondContact O-N 2.84Å; Q41-L44 PolarHBondContact O-N 3.46Å; W42-L44 VanDerWaalsContact C-N 3.3Å; W42-L44 PolarHBondContact O-N 3.32Å; L44-R46 PolarHBondContact O-N 2.96Å; L44-G48 VanDerWaalsContact O-CA 3.28Å; L44-G48 WeakPolarHBondContact O-CA 3.35Å; L44-G48 PolarHBondContact O-N 3.47Å; L44-V49 WeakPolarHBondContact CA-O 3.28Å; L44-V49 PolarHBondContact N-O 3.07Å; L44-D50 HydrophobicContact CD1-CB 3.94Å |
| 45 | E | 95.6 | Very high | 95.4 | Very high | 135 Ų | 135 | 47.1 Ų | 47.1 | 63% | 0.631 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -66.8 | -38.4 | -174.3 | -70.1 | 176.6 | 179.9 | 0 | 0 | 113.2 | Q41 W42 | Q41-E45 HydrophobicContact CG-CG 4.33Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.47Å; Q41-E45 PolarHBondContact NE2-OE1 3.04Å; Q41-E45 WeakPolarHBondContact O-CG 3.46Å; Q41-E45 PolarHBondContact O-N 2.03Å; W42-E45 PolarHBondContact O-N 3.39Å |
| 46 | R | 97 | Very high | 95.4 | Very high | 171 Ų | 171 | 47.8 Ų | 47.8 | 65% | 0.645 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -91.1 | -38.7 | -174.9 | -174.6 | 61.1 | 178.2 | 172 | 1.1 | 113.3 | W42 L44 | W42-R46 HydrophobicContact CD2-CB 3.93Å; W42-R46 HydrophobicContact CD2-CG 4.47Å; W42-R46 HydrophobicContact CE3-CB 4.4Å; W42-R46 HydrophobicContact CG-CB 4.32Å; W42-R46 HydrophobicContact CH2-CB 4.46Å; W42-R46 HydrophobicContact CH2-CG 4.23Å; W42-R46 HydrophobicContact CZ2-CB 3.98Å; W42-R46 HydrophobicContact CZ2-CG 3.6Å; W42-R46 WeakPolarHBondContact O-CA 3.49Å; W42-R46 WeakPolarHBondContact O-CB 3.03Å; W42-R46 PolarHBondContact O-N 3.17Å; L44-R46 PolarHBondContact O-N 2.96Å |
| 47 | H | 97.7 | Very high | 95.3 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 21% | 0.213 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -117.4 | -6.4 | -168.6 | -58.2 | -60.4 | 0 | 0 | 0 | 113.9 | W42 C43 V49 R328 K330 | W42-H47 AromaticContact NE1-NE2 3.97Å; C43-H47 CarbonylContact O-C 3.52Å; C43-H47 WeakPolarHBondContact O-CA 3.38Å; C43-H47 WeakPolarHBondContact O-CB 3.4Å; C43-H47 PolarHBondContact O-N 3.36Å; H47-V49 HydrophobicContact CB-CG2 4.08Å; H47-V49 PolarHBondContact O-N 3.45Å; H47-R328 PolarHBondContact NE2-O 3.45Å; H47-K330 HydrophobicContact CB-CB 4.05Å; H47-K330 HydrophobicContact CB-CG 4.07Å |
| 48 | G | 97.6 | Very high | 95.2 | Very high | 63 Ų | 63 | 50 Ų | 50 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | trans | 68.1 | 22.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C43 L44 | C43-G48 PolarHBondContact O-N 2.96Å; L44-G48 VanDerWaalsContact O-CA 3.28Å; L44-G48 WeakPolarHBondContact O-CA 3.35Å; L44-G48 PolarHBondContact O-N 3.47Å | ||
| 49 | V | 97.4 | Very high | 95 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | trans | -101 | 108.5 | -179.9 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | C43 L44 H47 V51 K330 C333 K337 | C43-V49 CarbonylContact C-O 3.52Å; C43-V49 VanDerWaalsContact C-O 3.3Å; C43-V49 HydrophobicContact CB-CB 4.4Å; C43-V49 PolarHBondContact O-N 3.35Å; C43-V49 VanDerWaalsContact O-N 3.09Å; L44-V49 WeakPolarHBondContact CA-O 3.28Å; L44-V49 PolarHBondContact N-O 3.07Å; H47-V49 HydrophobicContact CB-CG2 4.08Å; H47-V49 PolarHBondContact O-N 3.45Å; V49-V51 HydrophobicContact CG1-CG2 4.45Å; V49-V51 PolarHBondContact O-N 2.92Å; V49-K330 HydrophobicContact CG2-CG 4.17Å; V49-C333 HydrophobicContact CB-CB 4Å; V49-C333 HydrophobicContact CG1-CB 4.05Å; V49-C333 HydrophobicContact CG2-CB 4.21Å; V49-K337 HydrophobicContact CG1-CB 4.02Å; V49-K337 HydrophobicContact CG1-CD 4.1Å | ||
| 50 | D | 95.8 | Very high | 94.5 | Very high | 97 Ų | 97 | 52.2 Ų | 52.2 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | trans | -90.3 | 99.8 | -179.9 | -165.9 | 4.8 | 0 | 0 | 0 | 111.4 | L44 K337 | L44-D50 HydrophobicContact CD1-CB 3.94Å; D50-K337 WeakPolarHBondContact O-CD 3.22Å; D50-K337 VanDerWaalsContact O-CE 3.29Å; D50-K337 WeakPolarHBondContact O-CE 3.1Å; D50-K337 PolarHBondContact O-NZ 3.18Å | ||
| 51 | V | 95.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | trans | -82.6 | 120.8 | 176 | -179 | 0 | 0 | 0 | 0 | 108.5 | T40 V49 V53 I336 K337 M340 | T40-V51 HydrophobicContact CG2-CB 3.92Å; T40-V51 HydrophobicContact CG2-CG1 4.02Å; T40-V51 HydrophobicContact CG2-CG2 3.99Å; V49-V51 HydrophobicContact CG1-CG2 4.45Å; V49-V51 PolarHBondContact O-N 2.92Å; V51-V53 HydrophobicContact CG1-CG1 4.39Å; V51-V53 PolarHBondContact O-N 3.35Å; V51-V53 VanDerWaalsContact O-N 3.13Å; V51-I336 HydrophobicContact CG1-CG2 3.94Å; V51-I336 HydrophobicContact CG2-CG2 4.18Å; V51-K337 HydrophobicContact CG2-CB 4.09Å; V51-M340 HydrophobicContact CG1-CB 4.25Å; V51-M340 HydrophobicContact CG1-CE 4.03Å; V51-M340 HydrophobicContact CG1-CG 4.34Å | ||
| 52 | D | 94.7 | Very high | 92.7 | Very high | 35 Ų | 35 | 50.1 Ų | 50.1 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | trans | -69.3 | 110 | 178.9 | -179.1 | 14.4 | 0 | 0 | 0 | 111.1 | S54 M340 | D52-S54 WeakPolarHBondContact OD1-CB 3.12Å; D52-S54 PolarHBondContact OD1-N 3.37Å; D52-S54 PolarHBondContact OD1-OG 3.38Å; D52-S54 PolarHBondContact OD2-OG 3.12Å; D52-M340 WeakPolarHBondContact O-CG 3.41Å | ||
| 53 | V | 95.4 | Very high | 91.5 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | trans | -107.4 | 10.6 | 177.8 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | W36 V51 V55 F56 V59 | W36-V53 VanDerWaalsContact CD1-CG1 3.44Å; W36-V53 HydrophobicContact CD2-CG1 4.49Å; W36-V53 HydrophobicContact CG-CG1 4.15Å; W36-V53 VanDerWaalsContact NE1-CG1 3.31Å; V51-V53 HydrophobicContact CG1-CG1 4.39Å; V51-V53 PolarHBondContact O-N 3.35Å; V51-V53 VanDerWaalsContact O-N 3.13Å; V53-V55 PolarHBondContact O-N 3.07Å; V53-F56 HydrophobicContact CB-CD2 4.1Å; V53-F56 WeakPolarHBondContact O-CD2 3.36Å; V53-F56 PolarHBondContact O-N 3.3Å; V53-V59 HydrophobicContact CB-CG2 3.92Å; V53-V59 HydrophobicContact CG2-CG1 4.48Å; V53-V59 HydrophobicContact CG2-CG2 3.74Å | ||
| 54 | S | 95 | Very high | 90.3 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18.2 | -175.6 | 67.2 | 0 | 0 | 0 | 0 | 114.2 | D52 F56 | D52-S54 WeakPolarHBondContact OD1-CB 3.12Å; D52-S54 PolarHBondContact OD1-N 3.37Å; D52-S54 PolarHBondContact OD1-OG 3.38Å; D52-S54 PolarHBondContact OD2-OG 3.12Å; S54-F56 VanDerWaalsContact C-N 3.33Å |
| 55 | V | 96.8 | Very high | 89.2 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -21.3 | 179.1 | 76 | 0 | 0 | 0 | 0 | 113.2 | V53 I348 L349 L398 | V53-V55 PolarHBondContact O-N 3.07Å; V55-I348 HydrophobicContact CG1-CB 4.18Å; V55-I348 HydrophobicContact CG1-CG2 4.06Å; V55-I348 HydrophobicContact CG2-CB 4.13Å; V55-I348 HydrophobicContact CG2-CG2 3.92Å; V55-L349 HydrophobicContact CG2-CB 3.9Å; V55-L398 HydrophobicContact CG2-CD1 4.24Å |
| 56 | F | 97.4 | Very high | 87.7 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -83.7 | 151.5 | -178.7 | -60.2 | -79.2 | 0 | 0 | 0 | 111.5 | W36 V53 S54 L320 M340 L344 I348 | W36-F56 HydrophobicContact CB-CB 3.99Å; W36-F56 HydrophobicContact CB-CD1 4Å; W36-F56 HydrophobicContact CB-CD2 3.64Å; W36-F56 HydrophobicContact CB-CE1 4.41Å; W36-F56 HydrophobicContact CB-CE2 4.09Å; W36-F56 HydrophobicContact CB-CG 3.6Å; W36-F56 HydrophobicContact CB-CZ 4.45Å; W36-F56 HydrophobicContact CD2-CD2 4.25Å; W36-F56 AromaticContact CD2-CE2 3.8Å; W36-F56 HydrophobicContact CD2-CE2 3.8Å; W36-F56 AromaticContact CD2-CZ 4Å; W36-F56 HydrophobicContact CD2-CZ 4Å; W36-F56 HydrophobicContact CE3-CD2 4.44Å; W36-F56 AromaticContact CE3-CE1 3.91Å; W36-F56 HydrophobicContact CE3-CE1 3.91Å; W36-F56 AromaticContact CE3-CE2 3.71Å; W36-F56 HydrophobicContact CE3-CE2 3.71Å; W36-F56 AromaticContact CE3-CZ 3.4Å; W36-F56 HydrophobicContact CE3-CZ 3.4Å; W36-F56 VanDerWaalsContact CE3-CZ 3.4Å; W36-F56 AromaticContact CG-CD2 3.94Å; W36-F56 HydrophobicContact CG-CD2 3.94Å; W36-F56 AromaticContact CG-CE2 4Å; W36-F56 HydrophobicContact CG-CE2 4Å; W36-F56 HydrophobicContact CG-CG 4.38Å; W36-F56 HydrophobicContact CG-CZ 4.46Å; W36-F56 HydrophobicContact CZ3-CE2 4.4Å; W36-F56 AromaticContact CZ3-CZ 3.95Å; W36-F56 HydrophobicContact CZ3-CZ 3.95Å; V53-F56 HydrophobicContact CB-CD2 4.1Å; V53-F56 WeakPolarHBondContact O-CD2 3.36Å; V53-F56 PolarHBondContact O-N 3.3Å; S54-F56 VanDerWaalsContact C-N 3.33Å; F56-L320 HydrophobicContact CD1-CD1 4.13Å; F56-L320 HydrophobicContact CE1-CD1 3.81Å; F56-L320 HydrophobicContact CE1-CD2 3.72Å; F56-L320 HydrophobicContact CE1-CG 4.33Å; F56-L320 HydrophobicContact CZ-CD2 4.22Å; F56-M340 HydrophobicContact CE2-CE 3.51Å; F56-M340 HydrophobicContact CE2-SD 3.72Å; F56-M340 HydrophobicContact CZ-CE 3.78Å; F56-M340 HydrophobicContact CZ-SD 3.92Å; F56-L344 HydrophobicContact CZ-CD2 4.12Å; F56-L344 HydrophobicContact CZ-CG 4.41Å; F56-I348 HydrophobicContact CD1-CG2 4.31Å; F56-I348 HydrophobicContact CE1-CD1 3.89Å; F56-I348 HydrophobicContact CE1-CG1 3.78Å; F56-I348 HydrophobicContact CE1-CG2 4.37Å; F56-I348 HydrophobicContact CZ-CG1 4.24Å |
| 57 | D | 96.3 | Very high | 86.8 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -77.9 | -32.8 | 179.2 | -58 | -52.1 | 0 | 0 | 0 | 112.3 | L27 R30 T33 T34 | L27-D57 HydrophobicContact CD1-CB 3.72Å; R30-D57 IonicContact CZ-OD1 3.59Å; R30-D57 IonicContact NE-OD1 3.56Å; R30-D57 PolarHBondContact NE-OD1 3.05Å; R30-D57 IonicContact NE-OD2 2.7Å; R30-D57 IonicContact NH2-OD1 3.32Å; R30-D57 PolarHBondContact NH2-OD1 3.22Å; R30-D57 VanDerWaalsContact NH2-OD1 3.14Å; T33-D57 WeakPolarHBondContact CA-OD2 3.33Å; T33-D57 HydrophobicContact CG2-CB 3.99Å; T34-D57 PolarHBondContact N-OD2 2.83Å; T34-D57 PolarHBondContact O-N 3.23Å; T34-D57 VanDerWaalsContact O-N 3.14Å; T34-D57 PolarHBondContact OG1-N 2.75Å; T34-D57 PolarHBondContact OG1-OD2 3.26Å |
| 58 | V | 92.4 | Very high | 85.8 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132.3 | -179.4 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | L27 T34 V35 W36 A60 D70 | L27-V58 HydrophobicContact CD1-CG2 4.05Å; T34-V58 PolarHBondContact O-N 2.88Å; V35-V58 CarbonylContact C-O 3.3Å; V35-V58 WeakPolarHBondContact CA-O 3.45Å; V35-V58 HydrophobicContact CB-CB 4.4Å; V35-V58 HydrophobicContact CG1-CB 4.11Å; V35-V58 HydrophobicContact CG1-CG1 4Å; V35-V58 HydrophobicContact CG2-CB 4.11Å; V35-V58 HydrophobicContact CG2-CG2 4.45Å; W36-V58 PolarHBondContact N-O 3.3Å; V58-A60 HydrophobicContact CG1-CB 4.45Å; V58-D70 HydrophobicContact CB-CB 4.21Å; V58-D70 HydrophobicContact CG1-CB 3.44Å; V58-D70 VanDerWaalsContact CG1-CB 3.44Å; V58-D70 HydrophobicContact CG2-CB 3.65Å |
| 59 | V | 89.4 | Confident | 85.2 | Confident | 74 Ų | 74 | 49.8 Ų | 49.8 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.6 | 168.3 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | W36 V53 | W36-V59 HydrophobicContact CB-CG2 4.44Å; V53-V59 HydrophobicContact CB-CG2 3.92Å; V53-V59 HydrophobicContact CG2-CG1 4.48Å; V53-V59 HydrophobicContact CG2-CG2 3.74Å |
| 60 | A | 82.2 | Confident | 84.9 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 12% | 0.116 | 29% | 0.294 | C | S | . | . | trans | -123 | 105.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V35 W36 N37 V58 P62 M71 | V35-A60 HydrophobicContact CG1-CB 4.11Å; W36-A60 PolarHBondContact O-N 3.14Å; N37-A60 VanDerWaalsContact CA-O 3.31Å; N37-A60 WeakPolarHBondContact CA-O 3.39Å; N37-A60 PolarHBondContact ND2-O 3.22Å; V58-A60 HydrophobicContact CG1-CB 4.45Å; A60-P62 WeakPolarHBondContact O-CD 3.24Å; A60-M71 HydrophobicContact CB-CB 3.91Å; A60-M71 HydrophobicContact CB-CG 4.2Å; A60-M71 HydrophobicContact CB-SD 3.49Å; A60-M71 WeakPolarHBondContact CB-SD 3.29Å | ||
| 61 | N | 78.5 | Confident | 84.9 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | trans | -70.7 | 121.4 | -178.7 | -168.9 | -30 | 0 | 0 | 0 | 110.6 | N39 Q41 G63 Q64 T65 | N39-N61 PolarHBondContact OD1-ND2 3.12Å; N39-N61 PolarHBondContact OD1-OD1 3.42Å; Q41-N61 PolarHBondContact OE1-ND2 3.15Å; Q41-N61 VanDerWaalsContact OE1-ND2 3.14Å; N61-G63 PolarHBondContact O-N 2.95Å; N61-G63 PolarHBondContact OD1-N 2.93Å; N61-Q64 WeakPolarHBondContact O-CA 3.42Å; N61-Q64 PolarHBondContact O-N 2.98Å; N61-T65 WeakPolarHBondContact CB-OG1 3.49Å; N61-T65 PolarHBondContact ND2-OG1 3.13Å | ||
| 62 | P | 67.5 | Low | 84.8 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.8 | 178 | 26.1 | -33.4 | 0 | 0 | 0 | 112.8 | A38 N39 A60 Q64 Y75 | A38-P62 WeakPolarHBondContact O-CD 3.3Å; N39-P62 HydrophobicContact CB-CG 4.12Å; A60-P62 WeakPolarHBondContact O-CD 3.24Å; P62-Q64 PolarHBondContact O-N 3.29Å; P62-Y75 WeakPolarHBondContact CB-OH 3.5Å; P62-Y75 WeakPolarHBondContact O-CE2 3.47Å; P62-Y75 PolarHBondContact O-OH 2.86Å |
| 63 | G | 68.2 | Low | 84.8 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -3.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N61 T65 | N61-G63 PolarHBondContact O-N 2.95Å; N61-G63 PolarHBondContact OD1-N 2.93Å; G63-T65 VanDerWaalsContact C-N 3.28Å; G63-T65 PolarHBondContact O-N 3.31Å |
| 64 | Q | 69.5 | Low | 84.9 | Confident | 69 Ų | 69 | 46.4 Ų | 46.4 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | trans | 56.4 | 36.8 | 178 | -60.1 | 172.6 | -24.2 | 0 | 0 | 113.7 | N61 P62 F66 I73 | N61-Q64 WeakPolarHBondContact O-CA 3.42Å; N61-Q64 PolarHBondContact O-N 2.98Å; P62-Q64 PolarHBondContact O-N 3.29Å; Q64-F66 PolarHBondContact O-N 3.27Å; Q64-I73 PolarHBondContact NE2-O 3.21Å | ||
| 65 | T | 72.7 | Confident | 84.8 | Confident | 86 Ų | 86 | 46.2 Ų | 46.2 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -60.8 | -23.5 | 176.9 | 54 | 0 | 0 | 0 | 0 | 112.7 | Q41 N61 G63 | Q41-T65 PolarHBondContact OE1-OG1 3.22Å; N61-T65 WeakPolarHBondContact CB-OG1 3.49Å; N61-T65 PolarHBondContact ND2-OG1 3.13Å; G63-T65 VanDerWaalsContact C-N 3.28Å; G63-T65 PolarHBondContact O-N 3.31Å |
| 66 | F | 65.2 | Low | 84.7 | Confident | 150 Ų | 150 | 47.4 Ų | 47.4 | 66% | 0.658 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -139.3 | 143.3 | 176.5 | 168.9 | -110.9 | 0 | 0 | 0 | 111 | Q64 G68 | Q64-F66 PolarHBondContact O-N 3.27Å; F66-G68 VanDerWaalsContact CZ-CA 3.49Å |
| 67 | R | 77.2 | Confident | 84.6 | Confident | 147 Ų | 147 | 51.3 Ų | 51.3 | 56% | 0.555 | 29% | 0.29 | S | S | * | . | trans | -100.8 | 89.4 | 174.1 | -67.7 | 176.5 | -179.7 | -179.2 | 4.1 | 108.9 | A115 A116 | R67-A115 PolarHBondContact NH1-O 3.06Å; R67-A116 WeakPolarHBondContact CD-O 3.19Å | ||
| 68 | G | 77 | Confident | 84.6 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 13% | 0.134 | 29% | 0.294 | C | S | . | . | trans | -86.9 | 167.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | F66 D70 | F66-G68 VanDerWaalsContact CZ-CA 3.49Å; G68-D70 PolarHBondContact O-N 3.2Å | ||
| 69 | P | 85.8 | Confident | 84.9 | Confident | 82 Ų | 82 | 52 Ų | 52 | 53% | 0.532 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -72 | -17.1 | 177.8 | 30.5 | -34.1 | 0 | 0 | 0 | 113.1 | F122 G124 | P69-F122 WeakPolarHBondContact O-CD2 3.13Å; P69-F122 WeakPolarHBondContact O-CE2 3.33Å; P69-G124 VanDerWaalsContact O-CA 3.28Å; P69-G124 WeakPolarHBondContact O-CA 3.34Å; P69-G124 PolarHBondContact O-N 3.14Å |
| 70 | D | 90.4 | Very high | 85.3 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 31% | 0.305 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -100.8 | -28 | -165.9 | -57 | -55.9 | 0 | 0 | 0 | 114.8 | V58 G68 G124 L125 | V58-D70 HydrophobicContact CB-CB 4.21Å; V58-D70 HydrophobicContact CG1-CB 3.44Å; V58-D70 VanDerWaalsContact CG1-CB 3.44Å; V58-D70 HydrophobicContact CG2-CB 3.65Å; G68-D70 PolarHBondContact O-N 3.2Å; D70-G124 CarbonylContact O-C 3.53Å; D70-G124 WeakPolarHBondContact O-CA 3.2Å; D70-L125 PolarHBondContact O-N 3.19Å |
| 71 | M | 94.6 | Very high | 86.1 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 136.4 | -179.7 | -171.1 | -179.3 | -161.9 | 0 | 0 | 112.2 | V35 A60 I73 L125 V127 Y286 V319 | V35-M71 HydrophobicContact CG1-SD 3.56Å; V35-M71 VanDerWaalsContact CG1-SD 3.56Å; A60-M71 HydrophobicContact CB-CB 3.91Å; A60-M71 HydrophobicContact CB-CG 4.2Å; A60-M71 HydrophobicContact CB-SD 3.49Å; A60-M71 WeakPolarHBondContact CB-SD 3.29Å; M71-I73 HydrophobicContact CE-CD1 3.54Å; M71-I73 HydrophobicContact CE-CG1 3.55Å; M71-I73 HydrophobicContact CG-CG1 4.33Å; M71-I73 HydrophobicContact SD-CD1 4.29Å; M71-I73 HydrophobicContact SD-CG1 4.27Å; M71-L125 CarbonylContact C-O 3.45Å; M71-L125 WeakPolarHBondContact CA-O 3.16Å; M71-L125 HydrophobicContact CB-CB 4.24Å; M71-L125 HydrophobicContact CE-CD2 4.18Å; M71-L125 HydrophobicContact CG-CB 3.89Å; M71-L125 HydrophobicContact CG-CD2 4.45Å; M71-V127 HydrophobicContact CE-CG2 4.06Å; M71-Y286 WeakPolarHBondContact CE-OH 3.16Å; M71-V319 HydrophobicContact CE-CG1 3.71Å; M71-V319 HydrophobicContact CE-CG2 4.28Å |
| 72 | T | 94.8 | Very high | 87 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 127.2 | 165.2 | -61.2 | 0 | 0 | 0 | 0 | 108 | F74 A116 I117 L125 A126 V127 | T72-F74 HydrophobicContact CG2-CD2 4.18Å; T72-F74 HydrophobicContact CG2-CE1 4.41Å; T72-F74 HydrophobicContact CG2-CE2 3.68Å; T72-F74 HydrophobicContact CG2-CZ 3.81Å; T72-A116 HydrophobicContact CG2-CB 4.32Å; T72-I117 HydrophobicContact CG2-CD1 4.25Å; T72-I117 HydrophobicContact CG2-CG1 3.97Å; T72-L125 PolarHBondContact N-O 3.4Å; T72-A126 WeakPolarHBondContact O-CA 3.35Å; T72-V127 PolarHBondContact O-N 3.08Å |
| 73 | I | 94.6 | Very high | 88.5 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 135.1 | 170.9 | -56.5 | 177.1 | 0 | 0 | 0 | 107 | N37 Q64 M71 Y75 V127 D129 | N37-I73 VanDerWaalsContact OD1-CD1 3.22Å; N37-I73 WeakPolarHBondContact OD1-CD1 3.27Å; Q64-I73 PolarHBondContact NE2-O 3.21Å; M71-I73 HydrophobicContact CE-CD1 3.54Å; M71-I73 HydrophobicContact CE-CG1 3.55Å; M71-I73 HydrophobicContact CG-CG1 4.33Å; M71-I73 HydrophobicContact SD-CD1 4.29Å; M71-I73 HydrophobicContact SD-CG1 4.27Å; I73-Y75 HydrophobicContact CG2-CD1 4.25Å; I73-Y75 HydrophobicContact CG2-CE1 4.03Å; I73-V127 CarbonylContact C-O 3.53Å; I73-V127 WeakPolarHBondContact CA-O 3.29Å; I73-V127 HydrophobicContact CG1-CB 4.37Å; I73-D129 HydrophobicContact CG2-CB 4.27Å |
| 74 | F | 96.6 | Very high | 90 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 101 | 168.4 | -66.6 | -86.2 | 0 | 0 | 0 | 108.4 | T72 L79 I113 A116 I117 V127 D129 W199 | T72-F74 HydrophobicContact CG2-CD2 4.18Å; T72-F74 HydrophobicContact CG2-CE1 4.41Å; T72-F74 HydrophobicContact CG2-CE2 3.68Å; T72-F74 HydrophobicContact CG2-CZ 3.81Å; F74-L79 HydrophobicContact CB-CB 3.79Å; F74-L79 HydrophobicContact CB-CD2 4.05Å; F74-L79 HydrophobicContact CB-CG 4.46Å; F74-L79 HydrophobicContact CD1-CB 3.84Å; F74-L79 HydrophobicContact CD1-CD1 3.85Å; F74-L79 HydrophobicContact CD1-CD2 4.36Å; F74-L79 HydrophobicContact CD1-CG 4.24Å; F74-L79 HydrophobicContact CD2-CD2 4.3Å; F74-L79 HydrophobicContact CE1-CD1 3.93Å; F74-L79 HydrophobicContact CG-CB 4.02Å; F74-L79 HydrophobicContact CG-CD1 4.3Å; F74-L79 HydrophobicContact CG-CD2 3.99Å; F74-L79 HydrophobicContact CG-CG 4.34Å; F74-L79 HydrophobicContact CZ-CD1 4.47Å; F74-I113 HydrophobicContact CZ-CG1 4.42Å; F74-A116 HydrophobicContact CE1-CB 3.45Å; F74-A116 VanDerWaalsContact CE1-CB 3.45Å; F74-A116 HydrophobicContact CZ-CB 3.72Å; F74-I117 HydrophobicContact CE2-CD1 4.03Å; F74-I117 HydrophobicContact CZ-CD1 4.02Å; F74-I117 HydrophobicContact CZ-CG1 4.2Å; F74-V127 PolarHBondContact N-O 2.93Å; F74-D129 PolarHBondContact O-N 3.14Å; F74-W199 HydrophobicContact CD2-CZ3 4.22Å; F74-W199 AromaticContact CE2-CH2 3.74Å; F74-W199 HydrophobicContact CE2-CH2 3.74Å; F74-W199 AromaticContact CE2-CZ3 3.77Å; F74-W199 HydrophobicContact CE2-CZ3 3.77Å; F74-W199 HydrophobicContact CZ-CH2 4.22Å |
| 75 | Y | 94.7 | Very high | 91.4 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 156.8 | 169 | -64.4 | -63.5 | 0 | 0 | 0 | 110.1 | P62 I73 S77 Q78 D129 | P62-Y75 WeakPolarHBondContact CB-OH 3.5Å; P62-Y75 WeakPolarHBondContact O-CE2 3.47Å; P62-Y75 PolarHBondContact O-OH 2.86Å; I73-Y75 HydrophobicContact CG2-CD1 4.25Å; I73-Y75 HydrophobicContact CG2-CE1 4.03Å; Y75-S77 PolarHBondContact O-N 3.19Å; Y75-Q78 WeakPolarHBondContact O-CB 3.45Å; Y75-Q78 PolarHBondContact O-N 2.94Å; Y75-D129 HydrophobicContact CD1-CB 4.32Å; Y75-D129 WeakPolarHBondContact CD1-OD2 3.38Å |
| 76 | S | 93.7 | Very high | 92.6 | Very high | 45 Ų | 45 | 44 Ų | 44 | 32% | 0.315 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -27.8 | -174.3 | 59.5 | 0 | 0 | 0 | 0 | 115.8 | Y82 D129 | S76-Y82 WeakPolarHBondContact O-CB 3.43Å; S76-D129 PolarHBondContact N-O 3.35Å |
| 77 | S | 94.8 | Very high | 94.1 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -3.3 | 177.4 | 59.5 | 0 | 0 | 0 | 0 | 115.4 | Y75 | Y75-S77 PolarHBondContact O-N 3.19Š|
| 78 | Q | 96.5 | Very high | 95 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 29% | 0.285 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -110.4 | -4.5 | -167.6 | -59.2 | -177.7 | -33.8 | 0 | 0 | 114.5 | Y75 | Y75-Q78 WeakPolarHBondContact O-CB 3.45Å; Y75-Q78 PolarHBondContact O-N 2.94Å |
| 79 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -135.3 | 100.9 | -178.3 | -173.3 | 66.4 | 0 | 0 | 0 | 111 | F74 T109 D112 I113 I128 T186 | F74-L79 HydrophobicContact CB-CB 3.79Å; F74-L79 HydrophobicContact CB-CD2 4.05Å; F74-L79 HydrophobicContact CB-CG 4.46Å; F74-L79 HydrophobicContact CD1-CB 3.84Å; F74-L79 HydrophobicContact CD1-CD1 3.85Å; F74-L79 HydrophobicContact CD1-CD2 4.36Å; F74-L79 HydrophobicContact CD1-CG 4.24Å; F74-L79 HydrophobicContact CD2-CD2 4.3Å; F74-L79 HydrophobicContact CE1-CD1 3.93Å; F74-L79 HydrophobicContact CG-CB 4.02Å; F74-L79 HydrophobicContact CG-CD1 4.3Å; F74-L79 HydrophobicContact CG-CD2 3.99Å; F74-L79 HydrophobicContact CG-CG 4.34Å; F74-L79 HydrophobicContact CZ-CD1 4.47Å; L79-T109 HydrophobicContact CD1-CG2 3.64Å; L79-T109 HydrophobicContact CG-CG2 4Å; L79-D112 HydrophobicContact CD1-CB 4.13Å; L79-I113 HydrophobicContact CD1-CD1 4.32Å; L79-I113 HydrophobicContact CD1-CG1 3.74Å; L79-I128 HydrophobicContact CD2-CB 4.47Å; L79-I128 HydrophobicContact CD2-CD1 3.73Å; L79-I128 HydrophobicContact CD2-CG1 3.75Å; L79-I128 HydrophobicContact CD2-CG2 3.92Å; L79-T186 HydrophobicContact CD2-CG2 3.65Å; L79-T186 HydrophobicContact CG-CG2 4.24Å |
| 80 | G | 98.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 9% | 0.093 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 69.8 | -151.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T109 D112 | G80-T109 WeakPolarHBondContact CA-OG1 3.4Å; G80-D112 PolarHBondContact N-OD2 3.19Å |
| 81 | T | 98.7 | Very high | 97 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | trans | -114.5 | 62.1 | -179.9 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | P83 F93 H105 R108 W182 | T81-P83 WeakPolarHBondContact O-CD 3.42Å; T81-F93 HydrophobicContact CG2-CD1 4.04Å; T81-F93 HydrophobicContact CG2-CE1 3.83Å; T81-F93 HydrophobicContact CG2-CZ 4.12Å; T81-H105 PolarHBondContact N-ND1 3.36Å; T81-H105 WeakPolarHBondContact OG1-CA 3.35Å; T81-H105 WeakPolarHBondContact OG1-CB 3.37Å; T81-R108 HydrophobicContact CG2-CB 4.48Å; T81-W182 WeakPolarHBondContact O-CH2 3.4Å; T81-W182 WeakPolarHBondContact O-CZ3 3.27Å | ||
| 82 | Y | 98.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | trans | -57.7 | 118.5 | -175.5 | 177.4 | -116 | 0 | 0 | 0 | 112.3 | S76 Y84 F93 W130 A132 W133 | S76-Y82 WeakPolarHBondContact O-CB 3.43Å; Y82-Y84 HydrophobicContact CD1-CD1 4.19Å; Y82-Y84 WeakPolarHBondContact O-CD1 3.25Å; Y82-F93 WeakPolarHBondContact O-CD2 3.46Å; Y82-W130 HydrophobicContact CD1-CG 4.5Å; Y82-W130 HydrophobicContact CD2-CB 4.49Å; Y82-W130 AromaticContact CD2-CD2 3.23Å; Y82-W130 HydrophobicContact CD2-CD2 3.23Å; Y82-W130 AromaticContact CD2-CE2 3.41Å; Y82-W130 VanDerWaalsContact CD2-CE2 3.41Å; Y82-W130 AromaticContact CD2-CE3 3.45Å; Y82-W130 HydrophobicContact CD2-CE3 3.45Å; Y82-W130 VanDerWaalsContact CD2-CE3 3.45Å; Y82-W130 AromaticContact CD2-CG 3.74Å; Y82-W130 HydrophobicContact CD2-CG 3.74Å; Y82-W130 HydrophobicContact CD2-CH2 4.01Å; Y82-W130 AromaticContact CD2-CZ2 3.81Å; Y82-W130 HydrophobicContact CD2-CZ2 3.81Å; Y82-W130 AromaticContact CD2-CZ3 3.83Å; Y82-W130 HydrophobicContact CD2-CZ3 3.83Å; Y82-W130 AromaticContact CD2-NE1 3.9Å; Y82-W130 HydrophobicContact CE1-CB 4.48Å; Y82-W130 HydrophobicContact CE1-CG 4.36Å; Y82-W130 HydrophobicContact CE2-CB 3.86Å; Y82-W130 AromaticContact CE2-CD2 3.35Å; Y82-W130 HydrophobicContact CE2-CD2 3.35Å; Y82-W130 AromaticContact CE2-CE3 3.4Å; Y82-W130 HydrophobicContact CE2-CE3 3.4Å; Y82-W130 AromaticContact CE2-CG 3.58Å; Y82-W130 HydrophobicContact CE2-CG 3.58Å; Y82-W130 HydrophobicContact CE2-CZ3 4.13Å; Y82-W130 AromaticContact CG-CD2 3.98Å; Y82-W130 HydrophobicContact CG-CD2 3.98Å; Y82-W130 AromaticContact CG-CE2 3.8Å; Y82-W130 HydrophobicContact CG-CG 4.19Å; Y82-W130 HydrophobicContact CG-CZ2 4.28Å; Y82-W130 AromaticContact CG-NE1 3.86Å; Y82-W130 AromaticContact CZ-CG 3.91Å; Y82-A132 HydrophobicContact CE1-CB 3.67Å; Y82-A132 VanDerWaalsContact OH-CB 3.3Å; Y82-A132 WeakPolarHBondContact OH-CB 3.44Å; Y82-A132 PolarHBondContact OH-N 3.3Å; Y82-W133 AromaticContact CD2-CZ2 3.99Å; Y82-W133 HydrophobicContact CD2-CZ2 3.99Å; Y82-W133 HydrophobicContact CE2-CD2 4.32Å; Y82-W133 AromaticContact CE2-CE2 3.42Å; Y82-W133 VanDerWaalsContact CE2-CE2 3.42Å; Y82-W133 HydrophobicContact CE2-CH2 4.25Å; Y82-W133 AromaticContact CE2-CZ2 3.39Å; Y82-W133 HydrophobicContact CE2-CZ2 3.39Å; Y82-W133 AromaticContact CE2-NE1 3.41Å; Y82-W133 AromaticContact CZ-CE2 3.95Å; Y82-W133 AromaticContact CZ-NE1 3.62Å; Y82-W133 PolarHBondContact OH-N 2.98Å | ||
| 83 | P | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -83.5 | 131.9 | -174.7 | 31.4 | -34.1 | 0 | 0 | 0 | 111.4 | T81 V92 F93 P97 A100 W133 W182 | T81-P83 WeakPolarHBondContact O-CD 3.42Å; P83-V92 WeakPolarHBondContact CA-O 3.42Å; P83-F93 HydrophobicContact CB-CB 4.4Å; P83-P97 HydrophobicContact CG-CB 4.44Å; P83-A100 HydrophobicContact CB-CB 3.87Å; P83-A100 HydrophobicContact CG-CB 4.02Å; P83-W133 VanDerWaalsContact O-CD1 3.26Å; P83-W133 PolarHBondContact O-NE1 2.92Å; P83-W182 HydrophobicContact CG-CE3 4.37Å; P83-W182 HydrophobicContact CG-CH2 4.04Å; P83-W182 HydrophobicContact CG-CZ2 4.31Å; P83-W182 HydrophobicContact CG-CZ3 4.08Å | ||
| 84 | Y | 98.8 | Very high | 97.6 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 167.2 | 177.9 | 69.8 | -83.9 | 0 | 0 | 0 | 111.9 | Y82 V92 G95 | Y82-Y84 HydrophobicContact CD1-CD1 4.19Å; Y82-Y84 WeakPolarHBondContact O-CD1 3.25Å; Y84-V92 HydrophobicContact CD1-CB 3.91Å; Y84-V92 HydrophobicContact CD1-CG1 4.14Å; Y84-V92 HydrophobicContact CD2-CB 4.49Å; Y84-V92 HydrophobicContact CD2-CG2 4.48Å; Y84-V92 HydrophobicContact CE1-CB 3.56Å; Y84-V92 HydrophobicContact CE1-CG1 3.47Å; Y84-V92 VanDerWaalsContact CE1-CG1 3.47Å; Y84-V92 HydrophobicContact CE1-CG2 4.04Å; Y84-V92 HydrophobicContact CE2-CB 4.18Å; Y84-V92 HydrophobicContact CE2-CG2 3.86Å; Y84-V92 HydrophobicContact CG-CB 4.35Å; Y84-V92 PolarHBondContact N-O 2.87Å; Y84-V92 VanDerWaalsContact N-O 3.14Å; Y84-V92 PolarHBondContact O-N 2.95Å; Y84-G95 WeakPolarHBondContact O-CA 3.24Å |
| 85 | Y | 98.7 | Very high | 97.7 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.8 | 170.8 | -69.2 | -74.7 | 0 | 0 | 0 | 110.8 | G89 E90 P91 G95 L96 I146 Y147 R150 | Y85-G89 WeakPolarHBondContact CD1-O 3.38Å; Y85-E90 CarbonylContact C-O 3.16Å; Y85-E90 WeakPolarHBondContact CA-O 3.45Å; Y85-P91 HydrophobicContact CD1-CB 4.15Å; Y85-P91 HydrophobicContact CE1-CB 3.75Å; Y85-G95 WeakPolarHBondContact CE2-O 3.34Å; Y85-L96 HydrophobicContact CE2-CD1 4.49Å; Y85-L96 HydrophobicContact CE2-CD2 4.23Å; Y85-L96 HydrophobicContact CE2-CG 3.9Å; Y85-I146 HydrophobicContact CD2-CD1 4.26Å; Y85-I146 HydrophobicContact CD2-CG1 4.16Å; Y85-I146 HydrophobicContact CD2-CG2 4.46Å; Y85-I146 HydrophobicContact CG-CD1 3.96Å; Y85-I146 HydrophobicContact CG-CG1 4.36Å; Y85-Y147 AromaticContact CD2-CD1 3.82Å; Y85-Y147 HydrophobicContact CD2-CD1 3.82Å; Y85-Y147 AromaticContact CD2-CE1 3.62Å; Y85-Y147 HydrophobicContact CD2-CE1 3.62Å; Y85-Y147 HydrophobicContact CE2-CD1 4.1Å; Y85-Y147 HydrophobicContact CE2-CE1 4.27Å; Y85-Y147 PolarHBondContact N-OH 3.41Å; Y85-R150 HydrophobicContact CD2-CG 4.42Å; Y85-R150 HydrophobicContact CE1-CG 4.13Å; Y85-R150 VanDerWaalsContact CE1-NH1 3.31Å; Y85-R150 HydrophobicContact CE2-CB 3.74Å; Y85-R150 HydrophobicContact CE2-CG 3.72Å; Y85-R150 VanDerWaalsContact OH-CB 3.26Å; Y85-R150 WeakPolarHBondContact OH-CB 3.46Å |
| 86 | T | 98.3 | Very high | 97.9 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 22% | 0.221 | 28% | 0.276 | C | S | . | . | trans | -60.9 | 164.4 | 167.6 | 69.5 | 0 | 0 | 0 | 0 | 110.2 | T88 G89 E90 V92 | T86-T88 PolarHBondContact O-N 3.5Å; T86-T88 VanDerWaalsContact O-N 3.08Å; T86-T88 PolarHBondContact OG1-N 3.35Å; T86-T88 PolarHBondContact OG1-OG1 3.43Å; T86-G89 PolarHBondContact O-N 3.3Å; T86-G89 PolarHBondContact OG1-N 2.86Å; T86-E90 HydrophobicContact CG2-CB 4.13Å; T86-E90 PolarHBondContact N-O 3.16Å; T86-E90 PolarHBondContact OG1-N 2.88Å; T86-E90 VanDerWaalsContact OG1-N 3.08Å; T86-V92 HydrophobicContact CG2-CG2 3.96Å | ||
| 87 | P | 96.2 | Very high | 98.1 | Very high | 147 Ų | 147 | 45.7 Ų | 45.7 | 96% | 0.955 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.2 | 173.9 | -27.2 | 36.7 | 0 | 0 | 0 | 114.1 | ||
| 88 | T | 97.3 | Very high | 98.3 | Very high | 120 Ų | 120 | 43 Ų | 43 | 74% | 0.736 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.7 | 175.2 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | T86 | T86-T88 PolarHBondContact O-N 3.5Å; T86-T88 VanDerWaalsContact O-N 3.08Å; T86-T88 PolarHBondContact OG1-N 3.35Å; T86-T88 PolarHBondContact OG1-OG1 3.43Å |
| 89 | G | 97.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | trans | 87.9 | 15.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y85 T86 R150 | Y85-G89 WeakPolarHBondContact CD1-O 3.38Å; T86-G89 PolarHBondContact O-N 3.3Å; T86-G89 PolarHBondContact OG1-N 2.86Å; G89-R150 PolarHBondContact O-NH1 3.01Å; G89-R150 PolarHBondContact O-NH2 3.32Å | ||
| 90 | E | 98.4 | Very high | 98.4 | Very high | 122 Ų | 122 | 44.7 Ų | 44.7 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 134.2 | 175.8 | -70.4 | -57.8 | 135.2 | 0 | 0 | 111.1 | Y85 T86 | Y85-E90 CarbonylContact C-O 3.16Å; Y85-E90 WeakPolarHBondContact CA-O 3.45Å; T86-E90 HydrophobicContact CG2-CB 4.13Å; T86-E90 PolarHBondContact N-O 3.16Å; T86-E90 PolarHBondContact OG1-N 2.88Å; T86-E90 VanDerWaalsContact OG1-N 3.08Å |
| 91 | P | 98.5 | Very high | 98.4 | Very high | 66 Ų | 66 | 47.6 Ų | 47.6 | 43% | 0.429 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.9 | -178.9 | 28.5 | -31.7 | 0 | 0 | 0 | 111.8 | Y85 | Y85-P91 HydrophobicContact CD1-CB 4.15Å; Y85-P91 HydrophobicContact CE1-CB 3.75Å |
| 92 | V | 98.7 | Very high | 98.4 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 22% | 0.218 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129 | 163.8 | -177 | 0 | 0 | 0 | 0 | 108.1 | P83 Y84 T86 G94 G95 | P83-V92 WeakPolarHBondContact CA-O 3.42Å; Y84-V92 HydrophobicContact CD1-CB 3.91Å; Y84-V92 HydrophobicContact CD1-CG1 4.14Å; Y84-V92 HydrophobicContact CD2-CB 4.49Å; Y84-V92 HydrophobicContact CD2-CG2 4.48Å; Y84-V92 HydrophobicContact CE1-CB 3.56Å; Y84-V92 HydrophobicContact CE1-CG1 3.47Å; Y84-V92 VanDerWaalsContact CE1-CG1 3.47Å; Y84-V92 HydrophobicContact CE1-CG2 4.04Å; Y84-V92 HydrophobicContact CE2-CB 4.18Å; Y84-V92 HydrophobicContact CE2-CG2 3.86Å; Y84-V92 HydrophobicContact CG-CB 4.35Å; Y84-V92 PolarHBondContact N-O 2.87Å; Y84-V92 VanDerWaalsContact N-O 3.14Å; Y84-V92 PolarHBondContact O-N 2.95Å; T86-V92 HydrophobicContact CG2-CG2 3.96Å; V92-G94 PolarHBondContact O-N 3.21Å; V92-G94 VanDerWaalsContact O-N 3.14Å; V92-G95 PolarHBondContact O-N 3.08Å |
| 93 | F | 98.5 | Very high | 98.4 | Very high | 113 Ų | 113 | 55.5 Ų | 55.5 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 35.2 | -172.5 | -56.9 | -63.1 | 0 | 0 | 0 | 114.5 | T81 Y82 P83 A100 | T81-F93 HydrophobicContact CG2-CD1 4.04Å; T81-F93 HydrophobicContact CG2-CE1 3.83Å; T81-F93 HydrophobicContact CG2-CZ 4.12Å; Y82-F93 WeakPolarHBondContact O-CD2 3.46Å; P83-F93 HydrophobicContact CB-CB 4.4Å; F93-A100 WeakPolarHBondContact O-CB 3.31Å |
| 94 | G | 98.2 | Very high | 98.4 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 22% | 0.216 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -5.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V92 L96 N99 | V92-G94 PolarHBondContact O-N 3.21Å; V92-G94 VanDerWaalsContact O-N 3.14Å; G94-L96 PolarHBondContact O-N 2.82Å; G94-N99 PolarHBondContact O-ND2 2.97Å |
| 95 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 74 | -24 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y84 Y85 V92 | Y84-G95 WeakPolarHBondContact O-CA 3.24Å; Y85-G95 WeakPolarHBondContact CE2-O 3.34Å; V92-G95 PolarHBondContact O-N 3.08Å |
| 96 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -133.4 | 146.9 | -179.2 | -72 | 165.6 | 0 | 0 | 0 | 110.9 | Y85 G94 Q98 N99 A100 Y147 R150 S151 F175 | Y85-L96 HydrophobicContact CE2-CD1 4.49Å; Y85-L96 HydrophobicContact CE2-CD2 4.23Å; Y85-L96 HydrophobicContact CE2-CG 3.9Å; G94-L96 PolarHBondContact O-N 2.82Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.31Å; L96-N99 HydrophobicContact CB-CB 3.98Å; L96-N99 CarbonylContact O-C 3.6Å; L96-N99 PolarHBondContact O-N 3.18Å; L96-A100 WeakPolarHBondContact O-CB 3.12Å; L96-A100 PolarHBondContact O-N 2.92Å; L96-Y147 HydrophobicContact CD2-CD1 3.91Å; L96-R150 HydrophobicContact CD1-CB 3.9Å; L96-S151 WeakPolarHBondContact CD2-OG 3.3Å; L96-F175 HydrophobicContact CD2-CD2 4.06Å; L96-F175 HydrophobicContact CD2-CE2 4.21Å |
| 97 | P | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.013 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -62.6 | -33.5 | 177.9 | 25.4 | -33.7 | 0 | 0 | 0 | 113.2 | P83 N99 W133 F175 A178 A179 W182 | P83-P97 HydrophobicContact CG-CB 4.44Å; P97-N99 VanDerWaalsContact C-N 3.25Å; P97-N99 PolarHBondContact O-N 3.2Å; P97-W133 HydrophobicContact CB-CZ2 4.2Å; P97-W133 HydrophobicContact CG-CZ2 4.33Å; P97-F175 HydrophobicContact CG-CD2 4.15Å; P97-F175 HydrophobicContact CG-CE2 4.12Å; P97-A178 HydrophobicContact CB-CB 3.81Å; P97-A178 HydrophobicContact CG-CB 4.11Å; P97-A179 HydrophobicContact CG-CB 4.13Å; P97-W182 HydrophobicContact CB-CD2 4.31Å; P97-W182 HydrophobicContact CB-CG 3.9Å; P97-W182 PolarHBondContact O-NE1 3.05Å |
| 98 | Q | 98.7 | Very high | 98.6 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -77.7 | -8.6 | 175.9 | 71 | -87.6 | 30.2 | 0 | 0 | 113.9 | L96 S151 L154 Q174 A178 | L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.31Å; Q98-S151 PolarHBondContact NE2-OG 2.92Å; Q98-L154 HydrophobicContact CG-CD2 3.97Å; Q98-Q174 HydrophobicContact CB-CB 4.34Å; Q98-Q174 HydrophobicContact CG-CB 4.23Å; Q98-A178 HydrophobicContact CB-CB 3.63Å; Q98-A178 VanDerWaalsContact N-CB 3.32Å |
| 99 | N | 98.7 | Very high | 98.6 | Very high | 78 Ų | 78 | 50.9 Ų | 50.9 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -113.3 | 16.9 | -179.7 | -162.8 | 39.9 | 0 | 0 | 0 | 112.3 | G94 L96 P97 L154 | G94-N99 PolarHBondContact O-ND2 2.97Å; L96-N99 HydrophobicContact CB-CB 3.98Å; L96-N99 CarbonylContact O-C 3.6Å; L96-N99 PolarHBondContact O-N 3.18Å; P97-N99 VanDerWaalsContact C-N 3.25Å; P97-N99 PolarHBondContact O-N 3.2Å; N99-L154 HydrophobicContact CB-CD2 3.87Å |
| 100 | A | 98.6 | Very high | 98.7 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -133.3 | 150.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110 | P83 F93 L96 L102 W182 | P83-A100 HydrophobicContact CB-CB 3.87Å; P83-A100 HydrophobicContact CG-CB 4.02Å; F93-A100 WeakPolarHBondContact O-CB 3.31Å; L96-A100 WeakPolarHBondContact O-CB 3.12Å; L96-A100 PolarHBondContact O-N 2.92Å; A100-L102 PolarHBondContact O-N 2.97Å; A100-W182 HydrophobicContact CB-CH2 3.72Å; A100-W182 HydrophobicContact CB-CZ2 3.36Å |
| 101 | S | 98.7 | Very high | 98.7 | Very high | 69 Ų | 69 | 53.9 Ų | 53.9 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | trans | -80.2 | 105.2 | -178.8 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | I103 A104 H105 | S101-I103 VanDerWaalsContact C-N 3.25Å; S101-I103 PolarHBondContact O-N 3.2Å; S101-A104 PolarHBondContact O-N 2.98Å; S101-A104 PolarHBondContact OG-N 3.25Å; S101-H105 PolarHBondContact O-N 2.87Å | ||
| 102 | L | 98.8 | Very high | 98.7 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -35.3 | 174.3 | -179.5 | 60.7 | 0 | 0 | 0 | 112.2 | A100 H105 L106 A181 W182 | A100-L102 PolarHBondContact O-N 2.97Å; L102-H105 WeakPolarHBondContact O-CB 3.16Å; L102-H105 PolarHBondContact O-N 3.23Å; L102-L106 HydrophobicContact CD1-CD1 4.19Å; L102-L106 HydrophobicContact CD1-CG 4.06Å; L102-L106 HydrophobicContact CG-CD1 4.06Å; L102-L106 HydrophobicContact CG-CG 4.35Å; L102-L106 WeakPolarHBondContact O-CG 3.41Å; L102-L106 PolarHBondContact O-N 2.85Å; L102-A181 HydrophobicContact CD2-CB 3.82Å; L102-W182 HydrophobicContact CD1-CB 4.41Å; L102-W182 HydrophobicContact CD1-CD2 3.96Å; L102-W182 HydrophobicContact CD1-CG 3.86Å |
| 103 | I | 98.7 | Very high | 98.7 | Very high | 142 Ų | 142 | 50.8 Ų | 50.8 | 73% | 0.728 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 178.1 | -63.8 | 172.3 | 0 | 0 | 0 | 110.2 | S101 H105 L106 A107 | S101-I103 VanDerWaalsContact C-N 3.25Å; S101-I103 PolarHBondContact O-N 3.2Å; I103-H105 VanDerWaalsContact C-N 3.34Å; I103-L106 PolarHBondContact O-N 3.17Å; I103-A107 WeakPolarHBondContact O-CB 3.49Å; I103-A107 PolarHBondContact O-N 2.81Å |
| 104 | A | 98.7 | Very high | 98.6 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S101 A107 R108 | S101-A104 PolarHBondContact O-N 2.98Å; S101-A104 PolarHBondContact OG-N 3.25Å; A104-A107 PolarHBondContact O-N 3.36Å; A104-R108 PolarHBondContact O-N 3.38Å; A104-R108 VanDerWaalsContact O-N 3.11Å |
| 105 | H | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.7 | -56.3 | 173.9 | 171.1 | 76.7 | 0 | 0 | 0 | 111.1 | T81 S101 L102 I103 A107 R108 T109 W130 W182 T186 | T81-H105 PolarHBondContact N-ND1 3.36Å; T81-H105 WeakPolarHBondContact OG1-CA 3.35Å; T81-H105 WeakPolarHBondContact OG1-CB 3.37Å; S101-H105 PolarHBondContact O-N 2.87Å; L102-H105 WeakPolarHBondContact O-CB 3.16Å; L102-H105 PolarHBondContact O-N 3.23Å; I103-H105 VanDerWaalsContact C-N 3.34Å; H105-A107 VanDerWaalsContact C-N 3.31Å; H105-A107 PolarHBondContact O-N 2.98Å; H105-R108 PolarHBondContact O-N 3.46Å; H105-R108 VanDerWaalsContact O-N 3.09Å; H105-T109 PolarHBondContact CE1-OG1 3.45Å; H105-T109 PolarHBondContact NE2-OG1 3.39Å; H105-T109 WeakPolarHBondContact O-CB 3.45Å; H105-T109 PolarHBondContact O-N 3.41Å; H105-T109 PolarHBondContact O-OG1 3.27Å; H105-W130 AromaticContact CE1-CH2 3.55Å; H105-W130 AromaticContact CE1-CZ2 3.6Å; H105-W130 AromaticContact NE2-CH2 3.77Å; H105-W182 HydrophobicContact CB-CE3 4.09Å; H105-W182 HydrophobicContact CB-CH2 3.49Å; H105-W182 VanDerWaalsContact CB-CH2 3.49Å; H105-W182 HydrophobicContact CB-CZ2 4.25Å; H105-W182 HydrophobicContact CB-CZ3 3.38Å; H105-W182 AromaticContact CD2-CE3 3.85Å; H105-W182 AromaticContact CD2-CZ3 3.94Å; H105-W182 AromaticContact CG-CE3 3.59Å; H105-W182 AromaticContact CG-CH2 3.88Å; H105-W182 AromaticContact CG-CZ3 3.2Å; H105-W182 AromaticContact ND1-CE3 3.76Å; H105-W182 AromaticContact ND1-CZ3 3.28Å; H105-W182 VanDerWaalsContact ND1-CZ3 3.28Å; H105-W182 WeakPolarHBondContact ND1-CZ3 3.37Å; H105-T186 PolarHBondContact NE2-OG1 2.82Å |
| 106 | L | 98.8 | Very high | 98.4 | Very high | 51 Ų | 51 | 50.7 Ų | 50.7 | 27% | 0.267 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -35.7 | -176.9 | -67.9 | 175.4 | 0 | 0 | 0 | 113 | L102 I103 R108 T109 F110 L189 | L102-L106 HydrophobicContact CD1-CD1 4.19Å; L102-L106 HydrophobicContact CD1-CG 4.06Å; L102-L106 HydrophobicContact CG-CD1 4.06Å; L102-L106 HydrophobicContact CG-CG 4.35Å; L102-L106 WeakPolarHBondContact O-CG 3.41Å; L102-L106 PolarHBondContact O-N 2.85Å; I103-L106 PolarHBondContact O-N 3.17Å; L106-R108 VanDerWaalsContact C-N 3.35Å; L106-T109 PolarHBondContact O-N 2.72Å; L106-F110 WeakPolarHBondContact O-CB 3.47Å; L106-F110 PolarHBondContact O-N 2.85Å; L106-L189 HydrophobicContact CB-CD2 4.41Å; L106-L189 HydrophobicContact CD2-CD2 4.15Å; L106-L189 WeakPolarHBondContact O-CD2 3.22Å |
| 107 | A | 98.7 | Very high | 98.2 | Very high | 62 Ų | 62 | 50.8 Ų | 50.8 | 51% | 0.512 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I103 A104 H105 | I103-A107 WeakPolarHBondContact O-CB 3.49Å; I103-A107 PolarHBondContact O-N 2.81Å; A104-A107 PolarHBondContact O-N 3.36Å; H105-A107 VanDerWaalsContact C-N 3.31Å; H105-A107 PolarHBondContact O-N 2.98Å |
| 108 | R | 98.7 | Very high | 98 | Very high | 142 Ų | 142 | 55 Ų | 55 | 54% | 0.536 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.5 | -46.7 | 174.9 | 177.7 | 63.7 | 71.3 | -168.7 | 3 | 111.3 | T81 A104 H105 L106 F110 Q111 D112 | T81-R108 HydrophobicContact CG2-CB 4.48Å; A104-R108 PolarHBondContact O-N 3.38Å; A104-R108 VanDerWaalsContact O-N 3.11Å; H105-R108 PolarHBondContact O-N 3.46Å; H105-R108 VanDerWaalsContact O-N 3.09Å; L106-R108 VanDerWaalsContact C-N 3.35Å; R108-F110 PolarHBondContact O-N 2.67Å; R108-Q111 PolarHBondContact O-N 3.03Å; R108-D112 WeakPolarHBondContact CD-OD1 3.4Å; R108-D112 WeakPolarHBondContact CG-OD2 3.37Å; R108-D112 VanDerWaalsContact O-CG 3.3Å; R108-D112 PolarHBondContact O-N 3.01Å |
| 109 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -52.2 | -41.9 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | L79 G80 H105 L106 Q111 D112 I113 T186 L189 | L79-T109 HydrophobicContact CD1-CG2 3.64Å; L79-T109 HydrophobicContact CG-CG2 4Å; G80-T109 WeakPolarHBondContact CA-OG1 3.4Å; H105-T109 PolarHBondContact CE1-OG1 3.45Å; H105-T109 PolarHBondContact NE2-OG1 3.39Å; H105-T109 WeakPolarHBondContact O-CB 3.45Å; H105-T109 PolarHBondContact O-N 3.41Å; H105-T109 PolarHBondContact O-OG1 3.27Å; L106-T109 PolarHBondContact O-N 2.72Å; T109-Q111 PolarHBondContact O-N 2.73Å; T109-D112 PolarHBondContact O-N 3.02Å; T109-I113 HydrophobicContact CG2-CD1 3.76Å; T109-I113 HydrophobicContact CG2-CG1 4.43Å; T109-I113 WeakPolarHBondContact O-CD1 3.35Å; T109-I113 VanDerWaalsContact O-CG1 3.24Å; T109-I113 WeakPolarHBondContact O-CG1 3.3Å; T109-I113 PolarHBondContact O-N 2.84Å; T109-T186 HydrophobicContact CG2-CG2 3.96Å; T109-L189 HydrophobicContact CG2-CD2 3.88Å |
| 110 | F | 98.8 | Very high | 97.6 | Very high | 80 Ų | 80 | 55.6 Ų | 55.6 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.8 | -49.2 | 175 | -175.8 | -78.5 | 0 | 0 | 0 | 111.8 | L106 R108 L114 L189 L193 | L106-F110 WeakPolarHBondContact O-CB 3.47Å; L106-F110 PolarHBondContact O-N 2.85Å; R108-F110 PolarHBondContact O-N 2.67Å; F110-L114 HydrophobicContact CD1-CD1 3.89Å; F110-L114 HydrophobicContact CD1-CG 4.42Å; F110-L114 HydrophobicContact CE1-CD1 3.36Å; F110-L114 HydrophobicContact CE1-CG 4.23Å; F110-L114 HydrophobicContact CZ-CD1 4.06Å; F110-L114 WeakPolarHBondContact O-CG 3.43Å; F110-L114 PolarHBondContact O-N 3.09Å; F110-L189 HydrophobicContact CB-CD2 4.19Å; F110-L189 HydrophobicContact CD2-CD1 4.11Å; F110-L193 HydrophobicContact CD2-CD1 3.95Å; F110-L193 HydrophobicContact CD2-CD2 4.08Å; F110-L193 HydrophobicContact CE2-CD1 4.33Å; F110-L193 HydrophobicContact CE2-CD2 3.64Å; F110-L193 HydrophobicContact CG-CD1 4.21Å; F110-L193 HydrophobicContact CZ-CD2 4.16Å |
| 111 | Q | 98.7 | Very high | 97.4 | Very high | 109 Ų | 109 | 59.3 Ų | 59.3 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.8 | -41.9 | -179.1 | -61.7 | -60.5 | -41.1 | 0 | 0 | 111.7 | R108 T109 I113 L114 A115 | R108-Q111 PolarHBondContact O-N 3.03Å; T109-Q111 PolarHBondContact O-N 2.73Å; Q111-I113 PolarHBondContact O-N 2.69Å; Q111-L114 PolarHBondContact O-N 2.61Å; Q111-A115 WeakPolarHBondContact O-CB 3.28Å; Q111-A115 PolarHBondContact O-N 3.14Å |
| 112 | D | 98.5 | Very high | 97.3 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | -178.5 | -63 | -19.9 | 0 | 0 | 0 | 111.6 | L79 G80 R108 T109 A115 A116 | L79-D112 HydrophobicContact CD1-CB 4.13Å; G80-D112 PolarHBondContact N-OD2 3.19Å; R108-D112 WeakPolarHBondContact CD-OD1 3.4Å; R108-D112 WeakPolarHBondContact CG-OD2 3.37Å; R108-D112 VanDerWaalsContact O-CG 3.3Å; R108-D112 PolarHBondContact O-N 3.01Å; T109-D112 PolarHBondContact O-N 3.02Å; D112-A115 PolarHBondContact O-N 3.41Å; D112-A116 VanDerWaalsContact O-CB 3.23Å; D112-A116 WeakPolarHBondContact O-CB 3.12Å; D112-A116 PolarHBondContact O-N 3.21Å |
| 113 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 175.7 | -67.3 | 163.3 | 0 | 0 | 0 | 110.9 | F74 L79 T109 Q111 A115 A116 I117 L189 L193 R194 W199 | F74-I113 HydrophobicContact CZ-CG1 4.42Å; L79-I113 HydrophobicContact CD1-CD1 4.32Å; L79-I113 HydrophobicContact CD1-CG1 3.74Å; T109-I113 HydrophobicContact CG2-CD1 3.76Å; T109-I113 HydrophobicContact CG2-CG1 4.43Å; T109-I113 WeakPolarHBondContact O-CD1 3.35Å; T109-I113 VanDerWaalsContact O-CG1 3.24Å; T109-I113 WeakPolarHBondContact O-CG1 3.3Å; T109-I113 PolarHBondContact O-N 2.84Å; Q111-I113 PolarHBondContact O-N 2.69Å; I113-A115 VanDerWaalsContact C-N 3.28Å; I113-A115 PolarHBondContact O-N 2.63Å; I113-A116 PolarHBondContact O-N 2.82Å; I113-I117 PolarHBondContact O-N 3.43Å; I113-L189 HydrophobicContact CD1-CG 4.33Å; I113-L193 HydrophobicContact CB-CD1 3.97Å; I113-L193 HydrophobicContact CD1-CD1 4.02Å; I113-L193 HydrophobicContact CG2-CB 3.99Å; I113-L193 HydrophobicContact CG2-CD1 3.93Å; I113-R194 HydrophobicContact CG2-CG 4.05Å; I113-W199 HydrophobicContact CD1-CH2 4.19Å; I113-W199 HydrophobicContact CG1-CH2 3.97Å; I113-W199 HydrophobicContact CG2-CH2 4.24Å; I113-W199 HydrophobicContact CG2-CZ2 4.27Å |
| 114 | L | 97.5 | Very high | 97 | Very high | 63 Ų | 63 | 50 Ų | 50 | 33% | 0.33 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | -179.8 | -69.6 | -173.3 | 0 | 0 | 0 | 111.8 | F110 Q111 L193 R194 | F110-L114 HydrophobicContact CD1-CD1 3.89Å; F110-L114 HydrophobicContact CD1-CG 4.42Å; F110-L114 HydrophobicContact CE1-CD1 3.36Å; F110-L114 HydrophobicContact CE1-CG 4.23Å; F110-L114 HydrophobicContact CZ-CD1 4.06Å; F110-L114 WeakPolarHBondContact O-CG 3.43Å; F110-L114 PolarHBondContact O-N 3.09Å; Q111-L114 PolarHBondContact O-N 2.61Å; L114-L193 HydrophobicContact CD2-CD1 4.49Å; L114-L193 HydrophobicContact CD2-CD2 4.43Å; L114-R194 VanDerWaalsContact CD2-NH2 3.34Å |
| 115 | A | 96.2 | Very high | 97 | Very high | 54 Ų | 54 | 48 Ų | 48 | 45% | 0.446 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69 | -53 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R67 Q111 D112 I113 I117 | R67-A115 PolarHBondContact NH1-O 3.06Å; Q111-A115 WeakPolarHBondContact O-CB 3.28Å; Q111-A115 PolarHBondContact O-N 3.14Å; D112-A115 PolarHBondContact O-N 3.41Å; I113-A115 VanDerWaalsContact C-N 3.28Å; I113-A115 PolarHBondContact O-N 2.63Å; A115-I117 PolarHBondContact O-N 3.11Å |
| 116 | A | 95.2 | Very high | 96.9 | Very high | 16 Ų | 16 | 48 Ų | 48 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.2 | -35.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R67 T72 F74 D112 I113 P118 | R67-A116 WeakPolarHBondContact CD-O 3.19Å; T72-A116 HydrophobicContact CG2-CB 4.32Å; F74-A116 HydrophobicContact CE1-CB 3.45Å; F74-A116 VanDerWaalsContact CE1-CB 3.45Å; F74-A116 HydrophobicContact CZ-CB 3.72Å; D112-A116 VanDerWaalsContact O-CB 3.23Å; D112-A116 WeakPolarHBondContact O-CB 3.12Å; D112-A116 PolarHBondContact O-N 3.21Å; I113-A116 PolarHBondContact O-N 2.82Å; A116-P118 WeakPolarHBondContact O-CD 3.44Å |
| 117 | I | 95.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | trans | -121.5 | 82.7 | -177.4 | -54.3 | 177.8 | 0 | 0 | 0 | 108.2 | T72 F74 I113 A115 A119 F122 R194 W199 | T72-I117 HydrophobicContact CG2-CD1 4.25Å; T72-I117 HydrophobicContact CG2-CG1 3.97Å; F74-I117 HydrophobicContact CE2-CD1 4.03Å; F74-I117 HydrophobicContact CZ-CD1 4.02Å; F74-I117 HydrophobicContact CZ-CG1 4.2Å; I113-I117 PolarHBondContact O-N 3.43Å; A115-I117 PolarHBondContact O-N 3.11Å; I117-A119 VanDerWaalsContact C-N 3.34Å; I117-A119 PolarHBondContact O-N 3.37Å; I117-F122 HydrophobicContact CD1-CD1 4.1Å; I117-F122 HydrophobicContact CD1-CE1 4.1Å; I117-F122 HydrophobicContact CG2-CB 3.26Å; I117-F122 HydrophobicContact CG2-CD1 3.83Å; I117-F122 HydrophobicContact CG2-CD2 3.72Å; I117-F122 HydrophobicContact CG2-CE2 4.48Å; I117-F122 HydrophobicContact CG2-CG 3.31Å; I117-R194 HydrophobicContact CB-CG 4.26Å; I117-R194 HydrophobicContact CD1-CG 4.4Å; I117-R194 HydrophobicContact CG2-CG 3.9Å; I117-R194 PolarHBondContact O-NE 3.43Å; I117-R194 PolarHBondContact O-NH2 2.86Å; I117-W199 HydrophobicContact CD1-CH2 4.02Å; I117-W199 HydrophobicContact CD1-CZ2 4.01Å | ||
| 118 | P | 94.2 | Very high | 96.9 | Very high | 89 Ų | 89 | 42.7 Ų | 42.7 | 58% | 0.578 | 24% | 0.24 | S | C | * | . | trans | -66.2 | -33.6 | -173.6 | 24.5 | -33.7 | 0 | 0 | 0 | 113.4 | A116 P120 | A116-P118 WeakPolarHBondContact O-CD 3.44Å; P118-P120 WeakPolarHBondContact O-CD 3.38Å | ||
| 119 | A | 95.1 | Very high | 96.9 | Very high | 42 Ų | 42 | 37 Ų | 37 | 35% | 0.347 | 22% | 0.221 | S | C | . | . | trans | -75.6 | 118.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I117 D121 F122 R194 | I117-A119 VanDerWaalsContact C-N 3.34Å; I117-A119 PolarHBondContact O-N 3.37Å; A119-D121 PolarHBondContact O-N 3.5Å; A119-F122 VanDerWaalsContact O-CB 3.31Å; A119-F122 WeakPolarHBondContact O-CB 3.48Å; A119-F122 PolarHBondContact O-N 3.49Å; A119-R194 WeakPolarHBondContact O-CD 3.44Å; A119-R194 PolarHBondContact O-NE 3.21Å; A119-R194 VanDerWaalsContact O-NE 3.14Å | ||
| 120 | P | 95.6 | Very high | 96.9 | Very high | 89 Ų | 89 | 37.3 Ų | 37.3 | 58% | 0.578 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.3 | -179.6 | -23.9 | 35.4 | 0 | 0 | 0 | 114.3 | P118 F122 | P118-P120 WeakPolarHBondContact O-CD 3.38Å; P120-F122 VanDerWaalsContact C-N 3.32Å |
| 121 | D | 94.4 | Very high | 96.9 | Very high | 97 Ų | 97 | 38 Ų | 38 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 12.1 | 179.5 | 67.7 | -32.4 | 0 | 0 | 0 | 113.5 | A119 S123 | A119-D121 PolarHBondContact O-N 3.5Å; D121-S123 PolarHBondContact O-N 2.92Å |
| 122 | F | 96 | Very high | 96.9 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | trans | -44.5 | 125.7 | 174.8 | 172.2 | -94.9 | 0 | 0 | 0 | 111.4 | P69 I117 A119 P120 G124 L125 A126 R196 G197 | P69-F122 WeakPolarHBondContact O-CD2 3.13Å; P69-F122 WeakPolarHBondContact O-CE2 3.33Å; I117-F122 HydrophobicContact CD1-CD1 4.1Å; I117-F122 HydrophobicContact CD1-CE1 4.1Å; I117-F122 HydrophobicContact CG2-CB 3.26Å; I117-F122 HydrophobicContact CG2-CD1 3.83Å; I117-F122 HydrophobicContact CG2-CD2 3.72Å; I117-F122 HydrophobicContact CG2-CE2 4.48Å; I117-F122 HydrophobicContact CG2-CG 3.31Å; A119-F122 VanDerWaalsContact O-CB 3.31Å; A119-F122 WeakPolarHBondContact O-CB 3.48Å; A119-F122 PolarHBondContact O-N 3.49Å; P120-F122 VanDerWaalsContact C-N 3.32Å; F122-G124 VanDerWaalsContact CE1-O 3.29Å; F122-G124 WeakPolarHBondContact CE1-O 3.31Å; F122-G124 VanDerWaalsContact CZ-C 3.42Å; F122-L125 WeakPolarHBondContact CZ-O 3.44Å; F122-A126 HydrophobicContact CE1-CB 4.1Å; F122-R196 CarbonylContact O-C 3.48Å; F122-R196 VanDerWaalsContact O-C 3.25Å; F122-R196 VanDerWaalsContact O-CB 3.32Å; F122-R196 WeakPolarHBondContact O-CB 3.3Å; F122-G197 PolarHBondContact O-N 3.25Å; F122-G197 VanDerWaalsContact O-N 3.08Å | ||
| 123 | S | 95.7 | Very high | 96.9 | Very high | 54 Ų | 54 | 32.1 Ų | 32.1 | 38% | 0.378 | 20% | 0.2 | S | C | . | . | trans | -128.8 | 21.3 | -177.4 | 75.2 | 0 | 0 | 0 | 0 | 111.9 | R23 D121 | R23-S123 PolarHBondContact NH1-O 2.85Å; R23-S123 VanDerWaalsContact NH2-C 3.32Å; R23-S123 PolarHBondContact NH2-O 3.44Å; D121-S123 PolarHBondContact O-N 2.92Å | ||
| 124 | G | 95.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -80.8 | -174.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P69 D70 F122 L198 | P69-G124 VanDerWaalsContact O-CA 3.28Å; P69-G124 WeakPolarHBondContact O-CA 3.34Å; P69-G124 PolarHBondContact O-N 3.14Å; D70-G124 CarbonylContact O-C 3.53Å; D70-G124 WeakPolarHBondContact O-CA 3.2Å; F122-G124 VanDerWaalsContact CE1-O 3.29Å; F122-G124 WeakPolarHBondContact CE1-O 3.31Å; F122-G124 VanDerWaalsContact CZ-C 3.42Å; G124-L198 PolarHBondContact O-N 2.66Å |
| 125 | L | 97.8 | Very high | 97 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 127.7 | 167.8 | -80.8 | 66 | 0 | 0 | 0 | 110 | V35 D70 M71 T72 F122 V127 L198 Y243 L284 V319 | V35-L125 HydrophobicContact CG2-CD2 4.19Å; D70-L125 PolarHBondContact O-N 3.19Å; M71-L125 CarbonylContact C-O 3.45Å; M71-L125 WeakPolarHBondContact CA-O 3.16Å; M71-L125 HydrophobicContact CB-CB 4.24Å; M71-L125 HydrophobicContact CE-CD2 4.18Å; M71-L125 HydrophobicContact CG-CB 3.89Å; M71-L125 HydrophobicContact CG-CD2 4.45Å; T72-L125 PolarHBondContact N-O 3.4Å; F122-L125 WeakPolarHBondContact CZ-O 3.44Å; L125-V127 HydrophobicContact CB-CG2 4.22Å; L125-L198 HydrophobicContact CD1-CD1 4.16Å; L125-Y243 HydrophobicContact CD2-CE1 3.88Å; L125-Y243 HydrophobicContact CG-CE1 4.02Å; L125-Y243 WeakPolarHBondContact CG-OH 3.39Å; L125-L284 HydrophobicContact CD1-CD2 3.96Å; L125-L284 HydrophobicContact CD2-CD2 3.87Å; L125-L284 HydrophobicContact CG-CD2 4.09Å; L125-V319 HydrophobicContact CD2-CG2 3.6Å |
| 126 | A | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 87.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T72 F122 L198 W199 G200 | T72-A126 WeakPolarHBondContact O-CA 3.35Å; F122-A126 HydrophobicContact CE1-CB 4.1Å; A126-L198 PolarHBondContact N-O 3.39Å; A126-W199 HydrophobicContact CB-CD2 3.51Å; A126-W199 HydrophobicContact CB-CE3 3.59Å; A126-W199 HydrophobicContact CB-CG 4.02Å; A126-W199 HydrophobicContact CB-CH2 4.12Å; A126-W199 HydrophobicContact CB-CZ2 4.06Å; A126-W199 HydrophobicContact CB-CZ3 3.9Å; A126-W199 WeakPolarHBondContact O-CA 3.2Å; A126-G200 PolarHBondContact O-N 2.87Å; A126-G200 VanDerWaalsContact O-N 3.15Å |
| 127 | V | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.7 | -172 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | M71 T72 I73 F74 L125 Y243 Y286 | M71-V127 HydrophobicContact CE-CG2 4.06Å; T72-V127 PolarHBondContact O-N 3.08Å; I73-V127 CarbonylContact C-O 3.53Å; I73-V127 WeakPolarHBondContact CA-O 3.29Å; I73-V127 HydrophobicContact CG1-CB 4.37Å; F74-V127 PolarHBondContact N-O 2.93Å; L125-V127 HydrophobicContact CB-CG2 4.22Å; V127-Y243 HydrophobicContact CG1-CD2 4.24Å; V127-Y243 HydrophobicContact CG1-CG 4.44Å; V127-Y243 HydrophobicContact CG2-CD1 4.21Å; V127-Y243 HydrophobicContact CG2-CD2 4.18Å; V127-Y243 HydrophobicContact CG2-CE1 3.89Å; V127-Y243 HydrophobicContact CG2-CE2 3.85Å; V127-Y243 HydrophobicContact CG2-CG 4.35Å; V127-Y286 HydrophobicContact CG1-CE2 4.22Å; V127-Y286 HydrophobicContact CG2-CE2 4.44Å |
| 128 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.5 | 172.6 | -52.6 | 171.4 | 0 | 0 | 0 | 108.3 | L79 W130 T186 L187 W199 G200 F201 Y202 | L79-I128 HydrophobicContact CD2-CB 4.47Å; L79-I128 HydrophobicContact CD2-CD1 3.73Å; L79-I128 HydrophobicContact CD2-CG1 3.75Å; L79-I128 HydrophobicContact CD2-CG2 3.92Å; I128-W130 HydrophobicContact CG2-CD2 4.05Å; I128-W130 HydrophobicContact CG2-CG 3.9Å; I128-W130 PolarHBondContact O-N 3.37Å; I128-T186 HydrophobicContact CD1-CG2 3.84Å; I128-L187 HydrophobicContact CD1-CD2 3.89Å; I128-W199 HydrophobicContact CD1-CE3 4.08Å; I128-W199 HydrophobicContact CD1-CZ3 4.24Å; I128-W199 HydrophobicContact CG1-CE3 4.28Å; I128-W199 HydrophobicContact CG1-CZ3 4.28Å; I128-G200 PolarHBondContact N-O 3.17Å; I128-F201 HydrophobicContact CB-CD1 3.65Å; I128-F201 HydrophobicContact CB-CE1 3.7Å; I128-F201 HydrophobicContact CB-CG 4.39Å; I128-F201 HydrophobicContact CB-CZ 4.47Å; I128-F201 HydrophobicContact CD1-CE1 4.16Å; I128-F201 HydrophobicContact CD1-CZ 4.11Å; I128-F201 HydrophobicContact CG2-CD1 3.7Å; I128-F201 HydrophobicContact CG2-CE1 3.37Å; I128-F201 HydrophobicContact CG2-CZ 4.31Å; I128-F201 CarbonylContact O-C 3.25Å; I128-F201 VanDerWaalsContact O-CA 3.27Å; I128-F201 WeakPolarHBondContact O-CA 3.4Å; I128-F201 WeakPolarHBondContact O-CD1 3.24Å; I128-Y202 PolarHBondContact O-N 2.8Å |
| 129 | D | 98.2 | Very high | 97.6 | Very high | 24 Ų | 24 | 28 Ų | 28 | 13% | 0.128 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 81.9 | -174.1 | -174.3 | 20.1 | 0 | 0 | 0 | 111.1 | I73 F74 Y75 S76 E131 Y202 | I73-D129 HydrophobicContact CG2-CB 4.27Å; F74-D129 PolarHBondContact O-N 3.14Å; Y75-D129 HydrophobicContact CD1-CB 4.32Å; Y75-D129 WeakPolarHBondContact CD1-OD2 3.38Å; S76-D129 PolarHBondContact N-O 3.35Å; D129-E131 VanDerWaalsContact OD1-CG 3.3Å; D129-E131 WeakPolarHBondContact OD1-CG 3.4Å; D129-Y202 WeakPolarHBondContact OD1-CD1 3.08Å |
| 130 | W | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | trans | -113.8 | 103.3 | -178.9 | -77.9 | 9 | 0 | 0 | 0 | 110.7 | Y82 H105 I128 W133 W182 M183 T186 F201 | Y82-W130 HydrophobicContact CD1-CG 4.5Å; Y82-W130 HydrophobicContact CD2-CB 4.49Å; Y82-W130 AromaticContact CD2-CD2 3.23Å; Y82-W130 HydrophobicContact CD2-CD2 3.23Å; Y82-W130 AromaticContact CD2-CE2 3.41Å; Y82-W130 VanDerWaalsContact CD2-CE2 3.41Å; Y82-W130 AromaticContact CD2-CE3 3.45Å; Y82-W130 HydrophobicContact CD2-CE3 3.45Å; Y82-W130 VanDerWaalsContact CD2-CE3 3.45Å; Y82-W130 AromaticContact CD2-CG 3.74Å; Y82-W130 HydrophobicContact CD2-CG 3.74Å; Y82-W130 HydrophobicContact CD2-CH2 4.01Å; Y82-W130 AromaticContact CD2-CZ2 3.81Å; Y82-W130 HydrophobicContact CD2-CZ2 3.81Å; Y82-W130 AromaticContact CD2-CZ3 3.83Å; Y82-W130 HydrophobicContact CD2-CZ3 3.83Å; Y82-W130 AromaticContact CD2-NE1 3.9Å; Y82-W130 HydrophobicContact CE1-CB 4.48Å; Y82-W130 HydrophobicContact CE1-CG 4.36Å; Y82-W130 HydrophobicContact CE2-CB 3.86Å; Y82-W130 AromaticContact CE2-CD2 3.35Å; Y82-W130 HydrophobicContact CE2-CD2 3.35Å; Y82-W130 AromaticContact CE2-CE3 3.4Å; Y82-W130 HydrophobicContact CE2-CE3 3.4Å; Y82-W130 AromaticContact CE2-CG 3.58Å; Y82-W130 HydrophobicContact CE2-CG 3.58Å; Y82-W130 HydrophobicContact CE2-CZ3 4.13Å; Y82-W130 AromaticContact CG-CD2 3.98Å; Y82-W130 HydrophobicContact CG-CD2 3.98Å; Y82-W130 AromaticContact CG-CE2 3.8Å; Y82-W130 HydrophobicContact CG-CG 4.19Å; Y82-W130 HydrophobicContact CG-CZ2 4.28Å; Y82-W130 AromaticContact CG-NE1 3.86Å; Y82-W130 AromaticContact CZ-CG 3.91Å; H105-W130 AromaticContact CE1-CH2 3.55Å; H105-W130 AromaticContact CE1-CZ2 3.6Å; H105-W130 AromaticContact NE2-CH2 3.77Å; I128-W130 HydrophobicContact CG2-CD2 4.05Å; I128-W130 HydrophobicContact CG2-CG 3.9Å; I128-W130 PolarHBondContact O-N 3.37Å; W130-W133 HydrophobicContact CE3-CH2 4.32Å; W130-W133 HydrophobicContact CE3-CZ2 4.43Å; W130-W133 HydrophobicContact CZ3-CH2 4.33Å; W130-W133 HydrophobicContact CZ3-CZ2 4.47Å; W130-W182 HydrophobicContact CH2-CE3 4.39Å; W130-M183 HydrophobicContact CE3-CG 4.27Å; W130-M183 HydrophobicContact CZ3-CG 4.25Å; W130-T186 HydrophobicContact CH2-CG2 4.2Å; W130-T186 WeakPolarHBondContact CH2-OG1 3.37Å; W130-T186 HydrophobicContact CZ2-CG2 4.36Å; W130-F201 HydrophobicContact CB-CD1 4.08Å; W130-F201 HydrophobicContact CB-CE1 4.11Å; W130-F201 AromaticContact CD2-CE1 3.7Å; W130-F201 HydrophobicContact CD2-CE1 3.7Å; W130-F201 AromaticContact CE3-CE1 3.51Å; W130-F201 HydrophobicContact CE3-CE1 3.51Å; W130-F201 HydrophobicContact CE3-CZ 4.02Å; W130-F201 HydrophobicContact CG-CD1 4.36Å; W130-F201 AromaticContact CG-CE1 3.98Å; W130-F201 HydrophobicContact CG-CE1 3.98Å; W130-F201 HydrophobicContact CZ3-CE1 4.14Å; W130-F201 HydrophobicContact CZ3-CZ 4.22Å | ||
| 131 | E | 98.4 | Very high | 97.9 | Very high | 94 Ų | 94 | 26 Ų | 26 | 44% | 0.439 | 13% | 0.133 | S | C | . | . | trans | -113.8 | -7 | -171.2 | -60.8 | -169.7 | -90.2 | 0 | 0 | 114.2 | D129 R134 K144 Y202 | D129-E131 VanDerWaalsContact OD1-CG 3.3Å; D129-E131 WeakPolarHBondContact OD1-CG 3.4Å; E131-R134 PolarHBondContact O-NH1 3.38Å; E131-K144 PolarHBondContact O-NZ 3.36Å; E131-Y202 HydrophobicContact CG-CD1 4.04Å; E131-Y202 HydrophobicContact CG-CE1 4.16Å; E131-Y202 WeakPolarHBondContact OE2-CE1 3.33Å | ||
| 132 | A | 98.5 | Very high | 98 | Very high | 19 Ų | 19 | 27.7 Ų | 27.7 | 16% | 0.157 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -69 | -60.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y82 K144 Y147 | Y82-A132 HydrophobicContact CE1-CB 3.67Å; Y82-A132 VanDerWaalsContact OH-CB 3.3Å; Y82-A132 WeakPolarHBondContact OH-CB 3.44Å; Y82-A132 PolarHBondContact OH-N 3.3Å; A132-K144 WeakPolarHBondContact O-CG 3.36Å; A132-K144 PolarHBondContact O-NZ 3.08Å; A132-Y147 WeakPolarHBondContact CB-OH 3.37Å; A132-Y147 WeakPolarHBondContact O-CE2 3.46Å |
| 133 | W | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -111.9 | 153.5 | 174.3 | 48.3 | -98.3 | 0 | 0 | 0 | 111.9 | Y82 P83 P97 W130 N140 Y147 F175 A179 W182 M183 | Y82-W133 AromaticContact CD2-CZ2 3.99Å; Y82-W133 HydrophobicContact CD2-CZ2 3.99Å; Y82-W133 HydrophobicContact CE2-CD2 4.32Å; Y82-W133 AromaticContact CE2-CE2 3.42Å; Y82-W133 VanDerWaalsContact CE2-CE2 3.42Å; Y82-W133 HydrophobicContact CE2-CH2 4.25Å; Y82-W133 AromaticContact CE2-CZ2 3.39Å; Y82-W133 HydrophobicContact CE2-CZ2 3.39Å; Y82-W133 AromaticContact CE2-NE1 3.41Å; Y82-W133 AromaticContact CZ-CE2 3.95Å; Y82-W133 AromaticContact CZ-NE1 3.62Å; Y82-W133 PolarHBondContact OH-N 2.98Å; P83-W133 VanDerWaalsContact O-CD1 3.26Å; P83-W133 PolarHBondContact O-NE1 2.92Å; P97-W133 HydrophobicContact CB-CZ2 4.2Å; P97-W133 HydrophobicContact CG-CZ2 4.33Å; W130-W133 HydrophobicContact CE3-CH2 4.32Å; W130-W133 HydrophobicContact CE3-CZ2 4.43Å; W130-W133 HydrophobicContact CZ3-CH2 4.33Å; W130-W133 HydrophobicContact CZ3-CZ2 4.47Å; W133-N140 WeakPolarHBondContact CA-OD1 3.36Å; W133-Y147 HydrophobicContact CB-CD1 3.85Å; W133-Y147 HydrophobicContact CB-CD2 3.82Å; W133-Y147 HydrophobicContact CB-CE1 4.02Å; W133-Y147 HydrophobicContact CB-CE2 4.05Å; W133-Y147 HydrophobicContact CB-CG 3.76Å; W133-Y147 AromaticContact CD1-CE1 3.78Å; W133-Y147 HydrophobicContact CG-CD1 4.36Å; W133-Y147 HydrophobicContact CG-CE1 4.33Å; W133-F175 HydrophobicContact CB-CE2 4.25Å; W133-F175 HydrophobicContact CB-CZ 4.05Å; W133-F175 HydrophobicContact CE3-CZ 4.41Å; W133-F175 HydrophobicContact CG-CE2 4.49Å; W133-A179 HydrophobicContact CE3-CB 4.05Å; W133-A179 HydrophobicContact CH2-CB 4.23Å; W133-A179 HydrophobicContact CZ3-CB 3.59Å; W133-W182 HydrophobicContact CH2-CB 4.23Å; W133-M183 HydrophobicContact CH2-CG 3.87Å; W133-M183 HydrophobicContact CH2-SD 4.35Å; W133-M183 HydrophobicContact CZ3-CG 3.91Å; W133-M183 HydrophobicContact CZ3-SD 3.77Å |
| 134 | R | 98.8 | Very high | 98.2 | Very high | 51 Ų | 51 | 32.5 Ų | 32.5 | 19% | 0.192 | 17% | 0.168 | C | C | . | . | trans | -100.4 | 145.2 | 172.8 | -76.7 | 76 | 161.9 | 120 | -1.2 | 110.5 | E131 R136 F139 N140 K144 F175 | E131-R134 PolarHBondContact O-NH1 3.38Å; R134-R136 PolarHBondContact O-N 3.5Å; R134-F139 HydrophobicContact CB-CB 3.81Å; R134-F139 HydrophobicContact CG-CB 3.97Å; R134-N140 PolarHBondContact N-OD1 3.37Å; R134-N140 PolarHBondContact O-ND2 2.66Å; R134-K144 VanDerWaalsContact NH1-NZ 3.1Å; R134-F175 WeakPolarHBondContact O-CE1 3.48Å; R134-F175 VanDerWaalsContact O-CZ 3.25Å; R134-F175 WeakPolarHBondContact O-CZ 3.45Å | ||
| 135 | P | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -67.8 | -18.1 | -179.2 | 26.2 | -34.8 | 0 | 0 | 0 | 114.6 | A179 M183 F204 L232 W234 | P135-A179 HydrophobicContact CB-CB 4.2Å; P135-M183 HydrophobicContact CB-SD 3.62Å; P135-M183 HydrophobicContact CG-CE 4.22Å; P135-M183 HydrophobicContact CG-SD 3.58Å; P135-M183 VanDerWaalsContact CG-SD 3.58Å; P135-F204 HydrophobicContact CG-CE1 3.88Å; P135-F204 HydrophobicContact CG-CZ 4.18Å; P135-L232 HydrophobicContact CB-CD2 4.09Å; P135-L232 HydrophobicContact CG-CD1 4.28Å; P135-L232 HydrophobicContact CG-CD2 3.81Å; P135-W234 HydrophobicContact CB-CH2 4.08Å; P135-W234 HydrophobicContact CB-CZ2 3.9Å; P135-W234 HydrophobicContact CG-CZ2 4.49Å |
| 136 | R | 98.7 | Very high | 98.4 | Very high | 34 Ų | 34 | 35.2 Ų | 35.2 | 13% | 0.128 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -93.2 | 123.8 | 172.5 | -64.3 | -60 | -59.9 | 173 | -3.4 | 109.3 | R134 A138 F139 N140 Q228 Q231 L232 | R134-R136 PolarHBondContact O-N 3.5Å; R136-A138 PolarHBondContact O-N 2.87Å; R136-F139 HydrophobicContact CB-CB 4.43Å; R136-F139 HydrophobicContact CB-CD2 3.62Å; R136-F139 HydrophobicContact CB-CE2 4.07Å; R136-F139 HydrophobicContact CB-CG 4.01Å; R136-F139 HydrophobicContact CG-CD2 4Å; R136-F139 HydrophobicContact CG-CE2 4Å; R136-F139 PolarHBondContact O-N 3.19Å; R136-N140 PolarHBondContact O-ND2 2.8Å; R136-Q228 HydrophobicContact CG-CB 4.4Å; R136-Q231 VanDerWaalsContact CZ-CB 3.46Å; R136-L232 HydrophobicContact CG-CD1 3.94Å; R136-L232 HydrophobicContact CG-CD2 3.85Å; R136-L232 HydrophobicContact CG-CG 3.87Å |
| 137 | W | 98.7 | Very high | 98.5 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -50.3 | -44 | 176.5 | -179.6 | -103.4 | 0 | 0 | 0 | 111.7 | F139 N140 R148 E168 A171 Q172 F175 Q176 | W137-F139 PolarHBondContact O-N 3.42Å; W137-F139 VanDerWaalsContact O-N 3.11Å; W137-N140 PolarHBondContact O-N 2.97Å; W137-R148 HydrophobicContact CD2-CG 3.87Å; W137-R148 HydrophobicContact CE3-CG 3.99Å; W137-R148 VanDerWaalsContact CH2-CA 3.41Å; W137-R148 HydrophobicContact CH2-CB 3.6Å; W137-R148 HydrophobicContact CH2-CG 3.91Å; W137-R148 WeakPolarHBondContact CH2-O 3.46Å; W137-R148 HydrophobicContact CZ2-CB 3.56Å; W137-R148 HydrophobicContact CZ2-CG 3.72Å; W137-R148 HydrophobicContact CZ3-CB 4.12Å; W137-R148 HydrophobicContact CZ3-CG 4.03Å; W137-E168 VanDerWaalsContact CZ2-OE1 3.26Å; W137-E168 WeakPolarHBondContact CZ2-OE1 3.31Å; W137-E168 PolarHBondContact NE1-OE1 3.27Å; W137-A171 HydrophobicContact CH2-CB 3.98Å; W137-A171 HydrophobicContact CZ3-CB 4.47Å; W137-Q172 HydrophobicContact CB-CG 3.82Å; W137-Q172 HydrophobicContact CD2-CB 3.94Å; W137-Q172 HydrophobicContact CD2-CG 4.11Å; W137-Q172 HydrophobicContact CE3-CB 4.28Å; W137-Q172 HydrophobicContact CG-CB 4.09Å; W137-Q172 HydrophobicContact CG-CG 3.74Å; W137-F175 HydrophobicContact CE3-CB 3.94Å; W137-F175 AromaticContact CE3-CD1 3.78Å; W137-F175 HydrophobicContact CE3-CD1 3.78Å; W137-F175 AromaticContact CE3-CG 3.97Å; W137-F175 HydrophobicContact CE3-CG 3.97Å; W137-F175 HydrophobicContact CZ3-CB 3.9Å; W137-F175 HydrophobicContact CZ3-CD1 4.42Å; W137-F175 HydrophobicContact CZ3-CG 4.16Å; W137-Q176 HydrophobicContact CB-CG 4.01Å |
| 138 | A | 98.3 | Very high | 98.5 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 28% | 0.281 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -57 | -27 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R136 W141 Q228 | R136-A138 PolarHBondContact O-N 2.87Å; A138-W141 WeakPolarHBondContact O-CZ3 3.26Å; A138-Q228 HydrophobicContact CB-CG 4.4Å |
| 139 | F | 98.6 | Very high | 98.5 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -95.2 | 1.8 | -175.5 | -60.9 | -20.9 | 0 | 0 | 0 | 114 | R134 R136 W137 W141 Y208 I225 Q228 | R134-F139 HydrophobicContact CB-CB 3.81Å; R134-F139 HydrophobicContact CG-CB 3.97Å; R136-F139 HydrophobicContact CB-CB 4.43Å; R136-F139 HydrophobicContact CB-CD2 3.62Å; R136-F139 HydrophobicContact CB-CE2 4.07Å; R136-F139 HydrophobicContact CB-CG 4.01Å; R136-F139 HydrophobicContact CG-CD2 4Å; R136-F139 HydrophobicContact CG-CE2 4Å; R136-F139 PolarHBondContact O-N 3.19Å; W137-F139 PolarHBondContact O-N 3.42Å; W137-F139 VanDerWaalsContact O-N 3.11Å; F139-W141 VanDerWaalsContact C-N 3.28Å; F139-W141 AromaticContact CD1-CH2 3.64Å; F139-W141 HydrophobicContact CD1-CH2 3.64Å; F139-W141 AromaticContact CD1-CZ3 3.74Å; F139-W141 HydrophobicContact CD1-CZ3 3.74Å; F139-W141 HydrophobicContact CE1-CH2 4.21Å; F139-W141 HydrophobicContact CE1-CZ3 4.44Å; F139-W141 HydrophobicContact CG-CH2 4.5Å; F139-W141 PolarHBondContact O-N 3.14Å; F139-Y208 HydrophobicContact CB-CE2 4.5Å; F139-Y208 AromaticContact CD1-CE2 3.96Å; F139-Y208 HydrophobicContact CD1-CE2 3.96Å; F139-Y208 AromaticContact CD2-CE2 3.7Å; F139-Y208 HydrophobicContact CD2-CE2 3.7Å; F139-Y208 HydrophobicContact CE1-CD2 4.25Å; F139-Y208 AromaticContact CE1-CE2 3.97Å; F139-Y208 HydrophobicContact CE1-CE2 3.97Å; F139-Y208 AromaticContact CE2-CE2 3.71Å; F139-Y208 HydrophobicContact CE2-CE2 3.71Å; F139-Y208 AromaticContact CG-CE2 3.81Å; F139-Y208 HydrophobicContact CG-CE2 3.81Å; F139-Y208 AromaticContact CG-CZ 3.97Å; F139-Y208 HydrophobicContact CZ-CD2 4.19Å; F139-Y208 AromaticContact CZ-CE2 3.81Å; F139-Y208 HydrophobicContact CZ-CE2 3.81Å; F139-I225 HydrophobicContact CD1-CD1 4.34Å; F139-I225 HydrophobicContact CE1-CD1 3.51Å; F139-I225 HydrophobicContact CZ-CD1 4.14Å; F139-I225 HydrophobicContact CZ-CG2 4.14Å; F139-Q228 HydrophobicContact CE1-CB 3.77Å; F139-Q228 HydrophobicContact CE1-CG 3.87Å; F139-Q228 HydrophobicContact CE2-CB 3.91Å; F139-Q228 HydrophobicContact CZ-CB 3.26Å; F139-Q228 HydrophobicContact CZ-CG 3.91Å |
| 140 | N | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -92.1 | 60.9 | 174.7 | -67.3 | -78.9 | 0 | 0 | 0 | 110.1 | W133 R134 R136 W137 K144 D145 R148 F175 | W133-N140 WeakPolarHBondContact CA-OD1 3.36Å; R134-N140 PolarHBondContact N-OD1 3.37Å; R134-N140 PolarHBondContact O-ND2 2.66Å; R136-N140 PolarHBondContact O-ND2 2.8Å; W137-N140 PolarHBondContact O-N 2.97Å; N140-K144 HydrophobicContact CB-CB 4.12Å; N140-K144 CarbonylContact O-C 3.53Å; N140-D145 VanDerWaalsContact O-CA 3.25Å; N140-D145 WeakPolarHBondContact O-CA 3.22Å; N140-D145 PolarHBondContact O-N 3.39Å; N140-R148 HydrophobicContact CB-CG 3.96Å; N140-R148 PolarHBondContact O-NE 3.41Å; N140-R148 VanDerWaalsContact O-NE 3.08Å; N140-F175 WeakPolarHBondContact ND2-CE1 3.38Å | ||
| 141 | W | 97.8 | Very high | 98.5 | Very high | 89 Ų | 89 | 46 Ų | 46 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | trans | -98.5 | 179.1 | 175 | 51.7 | 57.9 | 0 | 0 | 0 | 111.8 | A138 F139 T143 K144 Y208 I225 | A138-W141 WeakPolarHBondContact O-CZ3 3.26Å; F139-W141 VanDerWaalsContact C-N 3.28Å; F139-W141 AromaticContact CD1-CH2 3.64Å; F139-W141 HydrophobicContact CD1-CH2 3.64Å; F139-W141 AromaticContact CD1-CZ3 3.74Å; F139-W141 HydrophobicContact CD1-CZ3 3.74Å; F139-W141 HydrophobicContact CE1-CH2 4.21Å; F139-W141 HydrophobicContact CE1-CZ3 4.44Å; F139-W141 HydrophobicContact CG-CH2 4.5Å; F139-W141 PolarHBondContact O-N 3.14Å; W141-T143 PolarHBondContact O-N 3.29Å; W141-K144 WeakPolarHBondContact O-CA 3.43Å; W141-K144 WeakPolarHBondContact O-CB 3.47Å; W141-K144 PolarHBondContact O-N 3.17Å; W141-Y208 HydrophobicContact CH2-CD1 4.09Å; W141-Y208 HydrophobicContact CH2-CD2 4.43Å; W141-Y208 HydrophobicContact CH2-CE1 4.26Å; W141-Y208 HydrophobicContact CH2-CG 4.16Å; W141-Y208 AromaticContact CZ2-CD1 3.43Å; W141-Y208 HydrophobicContact CZ2-CD1 3.43Å; W141-Y208 VanDerWaalsContact CZ2-CD1 3.43Å; W141-Y208 AromaticContact CZ2-CE1 3.52Å; W141-Y208 HydrophobicContact CZ2-CE1 3.52Å; W141-Y208 AromaticContact CZ2-CG 3.96Å; W141-Y208 HydrophobicContact CZ2-CG 3.96Å; W141-I225 HydrophobicContact CH2-CD1 3.91Å | ||
| 142 | D | 97.8 | Very high | 98.6 | Very high | 134 Ų | 134 | 44.8 Ų | 44.8 | 72% | 0.717 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | 51.1 | -126.9 | -178.1 | -53 | -34.8 | 0 | 0 | 0 | 112 | K144 D145 | D142-K144 PolarHBondContact O-N 3.22Å; D142-K144 VanDerWaalsContact O-N 3.07Å; D142-D145 VanDerWaalsContact O-CB 3.27Å; D142-D145 WeakPolarHBondContact O-CB 3.41Å; D142-D145 PolarHBondContact O-N 3.09Å |
| 143 | T | 97.5 | Very high | 98.6 | Very high | 126 Ų | 126 | 46.3 Ų | 46.3 | 77% | 0.773 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -61.9 | -16.4 | 178 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | W141 I146 | W141-T143 PolarHBondContact O-N 3.29Å; T143-I146 WeakPolarHBondContact O-CG2 3.35Å |
| 144 | K | 98.6 | Very high | 98.6 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 17% | 0.165 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -90.4 | -6 | 177.7 | -59.9 | 174.6 | -168.7 | -74.6 | 0 | 112.6 | E131 A132 R134 N140 W141 D142 I146 Y147 | E131-K144 PolarHBondContact O-NZ 3.36Å; A132-K144 WeakPolarHBondContact O-CG 3.36Å; A132-K144 PolarHBondContact O-NZ 3.08Å; R134-K144 VanDerWaalsContact NH1-NZ 3.1Å; N140-K144 HydrophobicContact CB-CB 4.12Å; N140-K144 CarbonylContact O-C 3.53Å; W141-K144 WeakPolarHBondContact O-CA 3.43Å; W141-K144 WeakPolarHBondContact O-CB 3.47Å; W141-K144 PolarHBondContact O-N 3.17Å; D142-K144 PolarHBondContact O-N 3.22Å; D142-K144 VanDerWaalsContact O-N 3.07Å; K144-I146 PolarHBondContact O-N 2.96Å; K144-I146 VanDerWaalsContact O-N 3.12Å; K144-Y147 HydrophobicContact CB-CD2 4.05Å; K144-Y147 HydrophobicContact CB-CE2 4.4Å; K144-Y147 HydrophobicContact CG-CE2 4.44Å; K144-Y147 VanDerWaalsContact O-CD2 3.23Å; K144-Y147 WeakPolarHBondContact O-CD2 3.32Å; K144-Y147 PolarHBondContact O-N 2.84Å |
| 145 | D | 98.7 | Very high | 98.6 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -23 | 174.7 | -172.4 | 55.1 | 0 | 0 | 0 | 112.6 | N140 D142 Y147 R148 Q149 | N140-D145 VanDerWaalsContact O-CA 3.25Å; N140-D145 WeakPolarHBondContact O-CA 3.22Å; N140-D145 PolarHBondContact O-N 3.39Å; D142-D145 VanDerWaalsContact O-CB 3.27Å; D142-D145 WeakPolarHBondContact O-CB 3.41Å; D142-D145 PolarHBondContact O-N 3.09Å; D145-Y147 PolarHBondContact O-N 3.14Å; D145-Y147 VanDerWaalsContact O-N 3.16Å; D145-R148 WeakPolarHBondContact O-CA 3.4Å; D145-R148 WeakPolarHBondContact O-CB 3.39Å; D145-R148 PolarHBondContact O-N 3.49Å; D145-R148 IonicContact OD1-CZ 3.65Å; D145-R148 IonicContact OD1-NE 2.69Å; D145-R148 PolarHBondContact OD1-NE 3.43Å; D145-R148 IonicContact OD1-NH2 3.79Å; D145-R148 PolarHBondContact OD1-NH2 2.59Å; D145-Q149 WeakPolarHBondContact O-CG 3.48Å; D145-Q149 PolarHBondContact O-N 3.42Å; D145-Q149 WeakPolarHBondContact OD2-CG 3.33Å; D145-Q149 PolarHBondContact OD2-NE2 2.88Å |
| 146 | I | 98.7 | Very high | 98.6 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.185 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -51.7 | -37.3 | 171.2 | -170.2 | 169.6 | 0 | 0 | 0 | 112.2 | Y85 T143 K144 R148 Q149 R150 | Y85-I146 HydrophobicContact CD2-CD1 4.26Å; Y85-I146 HydrophobicContact CD2-CG1 4.16Å; Y85-I146 HydrophobicContact CD2-CG2 4.46Å; Y85-I146 HydrophobicContact CG-CD1 3.96Å; Y85-I146 HydrophobicContact CG-CG1 4.36Å; T143-I146 WeakPolarHBondContact O-CG2 3.35Å; K144-I146 PolarHBondContact O-N 2.96Å; K144-I146 VanDerWaalsContact O-N 3.12Å; I146-R148 VanDerWaalsContact C-N 3.32Å; I146-R148 PolarHBondContact O-N 3.23Å; I146-Q149 PolarHBondContact O-N 2.9Å; I146-R150 HydrophobicContact CG1-CG 3.86Å; I146-R150 WeakPolarHBondContact O-CB 3.05Å; I146-R150 WeakPolarHBondContact O-CG 3.41Å; I146-R150 PolarHBondContact O-N 2.81Å |
| 147 | Y | 98.9 | Very high | 98.5 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 178.1 | -61.9 | -73.4 | 0 | 0 | 0 | 111.7 | Y85 L96 A132 W133 K144 D145 S151 | Y85-Y147 AromaticContact CD2-CD1 3.82Å; Y85-Y147 HydrophobicContact CD2-CD1 3.82Å; Y85-Y147 AromaticContact CD2-CE1 3.62Å; Y85-Y147 HydrophobicContact CD2-CE1 3.62Å; Y85-Y147 HydrophobicContact CE2-CD1 4.1Å; Y85-Y147 HydrophobicContact CE2-CE1 4.27Å; Y85-Y147 PolarHBondContact N-OH 3.41Å; L96-Y147 HydrophobicContact CD2-CD1 3.91Å; A132-Y147 WeakPolarHBondContact CB-OH 3.37Å; A132-Y147 WeakPolarHBondContact O-CE2 3.46Å; W133-Y147 HydrophobicContact CB-CD1 3.85Å; W133-Y147 HydrophobicContact CB-CD2 3.82Å; W133-Y147 HydrophobicContact CB-CE1 4.02Å; W133-Y147 HydrophobicContact CB-CE2 4.05Å; W133-Y147 HydrophobicContact CB-CG 3.76Å; W133-Y147 AromaticContact CD1-CE1 3.78Å; W133-Y147 HydrophobicContact CG-CD1 4.36Å; W133-Y147 HydrophobicContact CG-CE1 4.33Å; K144-Y147 HydrophobicContact CB-CD2 4.05Å; K144-Y147 HydrophobicContact CB-CE2 4.4Å; K144-Y147 HydrophobicContact CG-CE2 4.44Å; K144-Y147 VanDerWaalsContact O-CD2 3.23Å; K144-Y147 WeakPolarHBondContact O-CD2 3.32Å; K144-Y147 PolarHBondContact O-N 2.84Å; D145-Y147 PolarHBondContact O-N 3.14Å; D145-Y147 VanDerWaalsContact O-N 3.16Å; Y147-S151 VanDerWaalsContact O-CB 3.25Å; Y147-S151 WeakPolarHBondContact O-CB 3.39Å; Y147-S151 PolarHBondContact O-N 2.74Å; Y147-S151 VanDerWaalsContact O-N 3.07Å; Y147-S151 PolarHBondContact O-OG 3.17Å |
| 148 | R | 98.9 | Very high | 98.5 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 23% | 0.234 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71 | -46.8 | 173.6 | -60.4 | -166.5 | -63.5 | -171.1 | -3.1 | 111.5 | W137 N140 D145 I146 R150 S151 R152 | W137-R148 HydrophobicContact CD2-CG 3.87Å; W137-R148 HydrophobicContact CE3-CG 3.99Å; W137-R148 VanDerWaalsContact CH2-CA 3.41Å; W137-R148 HydrophobicContact CH2-CB 3.6Å; W137-R148 HydrophobicContact CH2-CG 3.91Å; W137-R148 WeakPolarHBondContact CH2-O 3.46Å; W137-R148 HydrophobicContact CZ2-CB 3.56Å; W137-R148 HydrophobicContact CZ2-CG 3.72Å; W137-R148 HydrophobicContact CZ3-CB 4.12Å; W137-R148 HydrophobicContact CZ3-CG 4.03Å; N140-R148 HydrophobicContact CB-CG 3.96Å; N140-R148 PolarHBondContact O-NE 3.41Å; N140-R148 VanDerWaalsContact O-NE 3.08Å; D145-R148 WeakPolarHBondContact O-CA 3.4Å; D145-R148 WeakPolarHBondContact O-CB 3.39Å; D145-R148 PolarHBondContact O-N 3.49Å; D145-R148 IonicContact OD1-CZ 3.65Å; D145-R148 IonicContact OD1-NE 2.69Å; D145-R148 PolarHBondContact OD1-NE 3.43Å; D145-R148 IonicContact OD1-NH2 3.79Å; D145-R148 PolarHBondContact OD1-NH2 2.59Å; I146-R148 VanDerWaalsContact C-N 3.32Å; I146-R148 PolarHBondContact O-N 3.23Å; R148-R150 PolarHBondContact O-N 2.88Å; R148-S151 PolarHBondContact O-N 2.79Å; R148-R152 PolarHBondContact O-N 3.11Å |
| 149 | Q | 98.8 | Very high | 98.5 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 178.3 | -66.9 | 173.4 | 32 | 0 | 0 | 111.8 | D145 I146 R152 A153 | D145-Q149 WeakPolarHBondContact O-CG 3.48Å; D145-Q149 PolarHBondContact O-N 3.42Å; D145-Q149 WeakPolarHBondContact OD2-CG 3.33Å; D145-Q149 PolarHBondContact OD2-NE2 2.88Å; I146-Q149 PolarHBondContact O-N 2.9Å; Q149-R152 PolarHBondContact O-N 3.32Å; Q149-A153 WeakPolarHBondContact O-CB 2.81Å; Q149-A153 PolarHBondContact O-N 2.79Å |
| 150 | R | 98.8 | Very high | 98.5 | Very high | 86 Ų | 86 | 60.7 Ų | 60.7 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.4 | -30 | -179.4 | -61.7 | -65.2 | -176.6 | 95.7 | 1.7 | 112.4 | Y85 G89 L96 I146 R148 A153 L154 | Y85-R150 HydrophobicContact CD2-CG 4.42Å; Y85-R150 HydrophobicContact CE1-CG 4.13Å; Y85-R150 VanDerWaalsContact CE1-NH1 3.31Å; Y85-R150 HydrophobicContact CE2-CB 3.74Å; Y85-R150 HydrophobicContact CE2-CG 3.72Å; Y85-R150 VanDerWaalsContact OH-CB 3.26Å; Y85-R150 WeakPolarHBondContact OH-CB 3.46Å; G89-R150 PolarHBondContact O-NH1 3.01Å; G89-R150 PolarHBondContact O-NH2 3.32Å; L96-R150 HydrophobicContact CD1-CB 3.9Å; I146-R150 HydrophobicContact CG1-CG 3.86Å; I146-R150 WeakPolarHBondContact O-CB 3.05Å; I146-R150 WeakPolarHBondContact O-CG 3.41Å; I146-R150 PolarHBondContact O-N 2.81Å; R148-R150 PolarHBondContact O-N 2.88Å; R150-A153 PolarHBondContact O-N 2.95Å; R150-L154 WeakPolarHBondContact O-CB 3.33Å; R150-L154 PolarHBondContact O-N 3.39Å |
| 151 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 171.5 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | L96 Q98 Y147 R148 L154 V155 | L96-S151 WeakPolarHBondContact CD2-OG 3.3Å; Q98-S151 PolarHBondContact NE2-OG 2.92Å; Y147-S151 VanDerWaalsContact O-CB 3.25Å; Y147-S151 WeakPolarHBondContact O-CB 3.39Å; Y147-S151 PolarHBondContact O-N 2.74Å; Y147-S151 VanDerWaalsContact O-N 3.07Å; Y147-S151 PolarHBondContact O-OG 3.17Å; R148-S151 PolarHBondContact O-N 2.79Å; S151-L154 PolarHBondContact O-N 3.03Å; S151-V155 PolarHBondContact O-N 3.2Å |
| 152 | R | 98.9 | Very high | 98.5 | Very high | 67 Ų | 67 | 67.8 Ų | 67.8 | 25% | 0.253 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 172 | -74.3 | -175.1 | -75.3 | -82.8 | 2.1 | 111.8 | R148 Q149 L154 V155 Q156 V167 E168 A171 | R148-R152 PolarHBondContact O-N 3.11Å; Q149-R152 PolarHBondContact O-N 3.32Å; R152-L154 VanDerWaalsContact C-N 3.3Å; R152-L154 PolarHBondContact O-N 3.47Å; R152-V155 PolarHBondContact O-N 2.78Å; R152-Q156 WeakPolarHBondContact O-CB 3.43Å; R152-Q156 PolarHBondContact O-N 2.92Å; R152-V167 HydrophobicContact CB-CG1 4.09Å; R152-V167 HydrophobicContact CG-CG1 4.35Å; R152-V167 WeakPolarHBondContact O-CG1 3.46Å; R152-E168 WeakPolarHBondContact CD-OE2 3.39Å; R152-E168 WeakPolarHBondContact CG-OE2 3.23Å; R152-E168 IonicContact CZ-OE2 3.32Å; R152-E168 IonicContact NE-OE2 3.46Å; R152-E168 IonicContact NH1-OE1 3.68Å; R152-E168 IonicContact NH1-OE2 2.75Å; R152-E168 PolarHBondContact NH1-OE2 2.87Å; R152-A171 HydrophobicContact CG-CB 4.15Å |
| 153 | A | 98.7 | Very high | 98.5 | Very high | 52 Ų | 52 | 64.9 Ų | 64.9 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q149 R150 Q156 A157 | Q149-A153 WeakPolarHBondContact O-CB 2.81Å; Q149-A153 PolarHBondContact O-N 2.79Å; R150-A153 PolarHBondContact O-N 2.95Å; A153-Q156 PolarHBondContact O-N 3.23Å; A153-A157 WeakPolarHBondContact O-CB 3.29Å; A153-A157 PolarHBondContact O-N 3.05Å |
| 154 | L | 98.7 | Very high | 98.6 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 177.1 | -171.8 | 67.6 | 0 | 0 | 0 | 111.8 | Q98 N99 R150 S151 R152 Q158 | Q98-L154 HydrophobicContact CG-CD2 3.97Å; N99-L154 HydrophobicContact CB-CD2 3.87Å; R150-L154 WeakPolarHBondContact O-CB 3.33Å; R150-L154 PolarHBondContact O-N 3.39Å; S151-L154 PolarHBondContact O-N 3.03Å; R152-L154 VanDerWaalsContact C-N 3.3Å; R152-L154 PolarHBondContact O-N 3.47Å; L154-Q158 WeakPolarHBondContact O-CG 3.48Å; L154-Q158 PolarHBondContact O-N 3.4Å |
| 155 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.5 | -44.2 | 177.1 | 175.8 | 0 | 0 | 0 | 0 | 111 | S151 R152 A157 Q158 H159 W162 V167 V170 A171 | S151-V155 PolarHBondContact O-N 3.2Å; R152-V155 PolarHBondContact O-N 2.78Å; V155-A157 VanDerWaalsContact C-N 3.31Å; V155-A157 PolarHBondContact O-N 3.35Å; V155-Q158 PolarHBondContact O-N 3.47Å; V155-Q158 VanDerWaalsContact O-N 3.16Å; V155-H159 PolarHBondContact O-N 2.94Å; V155-W162 HydrophobicContact CG1-CE3 4.18Å; V155-W162 HydrophobicContact CG1-CZ3 4.17Å; V155-V167 HydrophobicContact CB-CG1 4.12Å; V155-V167 HydrophobicContact CG1-CB 4.46Å; V155-V167 HydrophobicContact CG1-CG1 4.11Å; V155-V167 HydrophobicContact CG1-CG2 4.36Å; V155-V170 HydrophobicContact CG1-CB 4.25Å; V155-V170 HydrophobicContact CG1-CG1 4.04Å; V155-V170 HydrophobicContact CG2-CG1 4.13Å; V155-A171 HydrophobicContact CG2-CB 4.12Å |
| 156 | Q | 98.6 | Very high | 98.6 | Very high | 70 Ų | 70 | 67.8 Ų | 67.8 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 178.2 | -167.6 | 77.9 | 46.6 | 0 | 0 | 111.8 | R152 A153 Q158 H159 P160 W162 V167 | R152-Q156 WeakPolarHBondContact O-CB 3.43Å; R152-Q156 PolarHBondContact O-N 2.92Å; A153-Q156 PolarHBondContact O-N 3.23Å; Q156-Q158 VanDerWaalsContact C-N 3.29Å; Q156-Q158 PolarHBondContact O-N 3.35Å; Q156-H159 CarbonylContact O-C 3.08Å; Q156-H159 PolarHBondContact O-N 2.93Å; Q156-P160 PolarHBondContact NE2-O 3.39Å; Q156-P160 VanDerWaalsContact O-CA 3.25Å; Q156-P160 WeakPolarHBondContact O-CA 3.29Å; Q156-P160 VanDerWaalsContact O-N 3.1Å; Q156-W162 PolarHBondContact NE2-O 3.03Å; Q156-V167 HydrophobicContact CB-CG1 4.37Å |
| 157 | A | 98.4 | Very high | 98.6 | Very high | 79 Ų | 79 | 66.2 Ų | 66.2 | 65% | 0.653 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.4 | -32.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A153 V155 | A153-A157 WeakPolarHBondContact O-CB 3.29Å; A153-A157 PolarHBondContact O-N 3.05Å; V155-A157 VanDerWaalsContact C-N 3.31Å; V155-A157 PolarHBondContact O-N 3.35Å |
| 158 | Q | 98 | Very high | 98.6 | Very high | 110 Ų | 110 | 68.3 Ų | 68.3 | 51% | 0.514 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -79.4 | -27.6 | 175.5 | -67.4 | 174.5 | 15.2 | 0 | 0 | 112.6 | L154 V155 Q156 | L154-Q158 WeakPolarHBondContact O-CG 3.48Å; L154-Q158 PolarHBondContact O-N 3.4Å; V155-Q158 PolarHBondContact O-N 3.47Å; V155-Q158 VanDerWaalsContact O-N 3.16Å; Q156-Q158 VanDerWaalsContact C-N 3.29Å; Q156-Q158 PolarHBondContact O-N 3.35Å |
| 159 | H | 98.3 | Very high | 98.6 | Very high | 65 Ų | 65 | 67.6 Ų | 67.6 | 30% | 0.301 | 38% | 0.378 | S | S | . | . | trans | -133.2 | 74.8 | -179.2 | -56.6 | -70.4 | 0 | 0 | 0 | 111.2 | V155 Q156 D161 W162 | V155-H159 PolarHBondContact O-N 2.94Å; Q156-H159 CarbonylContact O-C 3.08Å; Q156-H159 PolarHBondContact O-N 2.93Å; H159-D161 PolarHBondContact O-N 2.92Å; H159-D161 VanDerWaalsContact O-N 3.14Å; H159-W162 HydrophobicContact CB-CB 4.17Å; H159-W162 HydrophobicContact CB-CD2 3.48Å; H159-W162 VanDerWaalsContact CB-CD2 3.48Å; H159-W162 HydrophobicContact CB-CE3 3.93Å; H159-W162 HydrophobicContact CB-CG 3.58Å; H159-W162 HydrophobicContact CB-CZ2 4.41Å; H159-W162 AromaticContact CD2-CH2 3.86Å; H159-W162 AromaticContact CD2-CZ3 3.85Å; H159-W162 AromaticContact CG-CD2 3.82Å; H159-W162 AromaticContact CG-CE2 3.69Å; H159-W162 AromaticContact CG-CZ2 3.85Å; H159-W162 AromaticContact ND1-CE2 3.88Å; H159-W162 AromaticContact ND1-CZ2 3.84Å; H159-W162 AromaticContact NE2-CH2 3.98Å; H159-W162 PolarHBondContact O-N 2.92Å | ||
| 160 | P | 98.1 | Very high | 98.6 | Very high | 85 Ų | 85 | 65 Ų | 65 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.9 | -171 | -27.7 | 36.9 | 0 | 0 | 0 | 114.7 | Q156 | Q156-P160 PolarHBondContact NE2-O 3.39Å; Q156-P160 VanDerWaalsContact O-CA 3.25Å; Q156-P160 WeakPolarHBondContact O-CA 3.29Å; Q156-P160 VanDerWaalsContact O-N 3.1Å |
| 161 | D | 98.3 | Very high | 98.6 | Very high | 159 Ų | 159 | 60.9 Ų | 60.9 | 85% | 0.85 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 2.8 | -174.9 | -54.2 | -52.5 | 0 | 0 | 0 | 114 | H159 | H159-D161 PolarHBondContact O-N 2.92Å; H159-D161 VanDerWaalsContact O-N 3.14Å |
| 162 | W | 98.2 | Very high | 98.6 | Very high | 79 Ų | 79 | 64 Ų | 64 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | trans | -77 | 142.9 | -179 | -80.3 | 14 | 0 | 0 | 0 | 112.9 | V155 Q156 H159 Q166 V167 V170 | V155-W162 HydrophobicContact CG1-CE3 4.18Å; V155-W162 HydrophobicContact CG1-CZ3 4.17Å; Q156-W162 PolarHBondContact NE2-O 3.03Å; H159-W162 HydrophobicContact CB-CB 4.17Å; H159-W162 HydrophobicContact CB-CD2 3.48Å; H159-W162 VanDerWaalsContact CB-CD2 3.48Å; H159-W162 HydrophobicContact CB-CE3 3.93Å; H159-W162 HydrophobicContact CB-CG 3.58Å; H159-W162 HydrophobicContact CB-CZ2 4.41Å; H159-W162 AromaticContact CD2-CH2 3.86Å; H159-W162 AromaticContact CD2-CZ3 3.85Å; H159-W162 AromaticContact CG-CD2 3.82Å; H159-W162 AromaticContact CG-CE2 3.69Å; H159-W162 AromaticContact CG-CZ2 3.85Å; H159-W162 AromaticContact ND1-CE2 3.88Å; H159-W162 AromaticContact ND1-CZ2 3.84Å; H159-W162 AromaticContact NE2-CH2 3.98Å; H159-W162 PolarHBondContact O-N 2.92Å; W162-Q166 HydrophobicContact CD2-CG 4.13Å; W162-Q166 HydrophobicContact CE3-CG 3.76Å; W162-Q166 HydrophobicContact CZ3-CG 4.14Å; W162-V167 HydrophobicContact CB-CG2 3.68Å; W162-V167 HydrophobicContact CE3-CG2 4.36Å; W162-V170 HydrophobicContact CH2-CG2 4.44Å; W162-V170 HydrophobicContact CZ3-CB 4.22Å; W162-V170 HydrophobicContact CZ3-CG1 4.31Å; W162-V170 HydrophobicContact CZ3-CG2 3.82Å | ||
| 163 | P | 98.3 | Very high | 98.6 | Very high | 74 Ų | 74 | 66 Ų | 66 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | trans | -74.6 | 152.3 | 176.8 | 31.9 | -35.5 | 0 | 0 | 0 | 112.1 | Q166 V167 | P163-Q166 HydrophobicContact CG-CB 3.96Å; P163-Q166 WeakPolarHBondContact O-CB 3.37Å; P163-Q166 PolarHBondContact O-N 2.99Å; P163-V167 PolarHBondContact O-N 3.03Å; P163-V167 VanDerWaalsContact O-N 3.14Å | ||
| 164 | A | 98.5 | Very high | 98.6 | Very high | 73 Ų | 73 | 66.7 Ų | 66.7 | 60% | 0.603 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -54.2 | -42.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q166 V167 E168 | A164-Q166 VanDerWaalsContact C-N 3.28Å; A164-Q166 PolarHBondContact O-N 3.39Å; A164-V167 PolarHBondContact O-N 2.92Å; A164-E168 PolarHBondContact O-N 2.9Å |
| 165 | P | 98.6 | Very high | 98.6 | Very high | 103 Ų | 103 | 65 Ų | 65 | 67% | 0.669 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.2 | -32.8 | 178.4 | -22.7 | 34.8 | 0 | 0 | 0 | 113.4 | A169 | P165-A169 WeakPolarHBondContact O-CB 3.39Å; P165-A169 PolarHBondContact O-N 3.28Å; P165-A169 VanDerWaalsContact O-N 3.12Å |
| 166 | Q | 98.5 | Very high | 98.6 | Very high | 81 Ų | 81 | 66.5 Ų | 66.5 | 38% | 0.379 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.7 | -41 | 177 | -176.6 | 173.9 | -18.1 | 0 | 0 | 111 | W162 P163 A164 A169 V170 | W162-Q166 HydrophobicContact CD2-CG 4.13Å; W162-Q166 HydrophobicContact CE3-CG 3.76Å; W162-Q166 HydrophobicContact CZ3-CG 4.14Å; P163-Q166 HydrophobicContact CG-CB 3.96Å; P163-Q166 WeakPolarHBondContact O-CB 3.37Å; P163-Q166 PolarHBondContact O-N 2.99Å; A164-Q166 VanDerWaalsContact C-N 3.28Å; A164-Q166 PolarHBondContact O-N 3.39Å; Q166-A169 PolarHBondContact O-N 2.64Å; Q166-V170 WeakPolarHBondContact O-CG2 3.38Å; Q166-V170 PolarHBondContact O-N 2.6Å; Q166-V170 VanDerWaalsContact O-N 3.07Å |
| 167 | V | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.024 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | R152 V155 Q156 W162 P163 A164 A171 | R152-V167 HydrophobicContact CB-CG1 4.09Å; R152-V167 HydrophobicContact CG-CG1 4.35Å; R152-V167 WeakPolarHBondContact O-CG1 3.46Å; V155-V167 HydrophobicContact CB-CG1 4.12Å; V155-V167 HydrophobicContact CG1-CB 4.46Å; V155-V167 HydrophobicContact CG1-CG1 4.11Å; V155-V167 HydrophobicContact CG1-CG2 4.36Å; Q156-V167 HydrophobicContact CB-CG1 4.37Å; W162-V167 HydrophobicContact CB-CG2 3.68Å; W162-V167 HydrophobicContact CE3-CG2 4.36Å; P163-V167 PolarHBondContact O-N 3.03Å; P163-V167 VanDerWaalsContact O-N 3.14Å; A164-V167 PolarHBondContact O-N 2.92Å; V167-A171 WeakPolarHBondContact O-CB 2.97Å; V167-A171 PolarHBondContact O-N 3.44Å |
| 168 | E | 98.8 | Very high | 98.6 | Very high | 55 Ų | 55 | 62.2 Ų | 62.2 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 175.3 | 179.5 | 68.9 | -176.9 | 0 | 0 | 111.6 | W137 R152 A164 V170 A171 Q172 | W137-E168 VanDerWaalsContact CZ2-OE1 3.26Å; W137-E168 WeakPolarHBondContact CZ2-OE1 3.31Å; W137-E168 PolarHBondContact NE1-OE1 3.27Å; R152-E168 WeakPolarHBondContact CD-OE2 3.39Å; R152-E168 WeakPolarHBondContact CG-OE2 3.23Å; R152-E168 IonicContact CZ-OE2 3.32Å; R152-E168 IonicContact NE-OE2 3.46Å; R152-E168 IonicContact NH1-OE1 3.68Å; R152-E168 IonicContact NH1-OE2 2.75Å; R152-E168 PolarHBondContact NH1-OE2 2.87Å; A164-E168 PolarHBondContact O-N 2.9Å; E168-V170 PolarHBondContact O-N 2.03Å; E168-A171 PolarHBondContact O-N 3.3Å; E168-Q172 VanDerWaalsContact O-CB 3.31Å; E168-Q172 WeakPolarHBondContact O-CB 3.38Å; E168-Q172 PolarHBondContact O-N 3.08Å |
| 169 | A | 98.7 | Very high | 98.7 | Very high | 48 Ų | 48 | 57 Ų | 57 | 40% | 0.397 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | P165 Q166 Q172 D173 | P165-A169 WeakPolarHBondContact O-CB 3.39Å; P165-A169 PolarHBondContact O-N 3.28Å; P165-A169 VanDerWaalsContact O-N 3.12Å; Q166-A169 PolarHBondContact O-N 2.64Å; A169-Q172 PolarHBondContact O-N 3.01Å; A169-D173 PolarHBondContact O-N 2.65Å |
| 170 | V | 98.8 | Very high | 98.7 | Very high | 41 Ų | 41 | 60.3 Ų | 60.3 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.9 | -38.4 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | V155 W162 Q166 E168 Q172 D173 Q174 | V155-V170 HydrophobicContact CG1-CB 4.25Å; V155-V170 HydrophobicContact CG1-CG1 4.04Å; V155-V170 HydrophobicContact CG2-CG1 4.13Å; W162-V170 HydrophobicContact CH2-CG2 4.44Å; W162-V170 HydrophobicContact CZ3-CB 4.22Å; W162-V170 HydrophobicContact CZ3-CG1 4.31Å; W162-V170 HydrophobicContact CZ3-CG2 3.82Å; Q166-V170 WeakPolarHBondContact O-CG2 3.38Å; Q166-V170 PolarHBondContact O-N 2.6Å; Q166-V170 VanDerWaalsContact O-N 3.07Å; E168-V170 PolarHBondContact O-N 2.03Å; V170-Q172 VanDerWaalsContact C-N 3.34Å; V170-Q172 PolarHBondContact O-N 2.66Å; V170-D173 PolarHBondContact O-N 3.46Å; V170-Q174 HydrophobicContact CG1-CG 4.2Å; V170-Q174 WeakPolarHBondContact O-CB 3.24Å; V170-Q174 WeakPolarHBondContact O-CG 3.32Å; V170-Q174 PolarHBondContact O-N 2.74Å |
| 171 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | W137 R152 V155 V167 E168 F175 | W137-A171 HydrophobicContact CH2-CB 3.98Å; W137-A171 HydrophobicContact CZ3-CB 4.47Å; R152-A171 HydrophobicContact CG-CB 4.15Å; V155-A171 HydrophobicContact CG2-CB 4.12Å; V167-A171 WeakPolarHBondContact O-CB 2.97Å; V167-A171 PolarHBondContact O-N 3.44Å; E168-A171 PolarHBondContact O-N 3.3Å; A171-F175 WeakPolarHBondContact O-CB 3.34Å; A171-F175 PolarHBondContact O-N 3.01Å |
| 172 | Q | 98.9 | Very high | 98.7 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 175.8 | 173.4 | 172 | -11.4 | 0 | 0 | 111.6 | W137 E168 A169 V170 Q176 | W137-Q172 HydrophobicContact CB-CG 3.82Å; W137-Q172 HydrophobicContact CD2-CB 3.94Å; W137-Q172 HydrophobicContact CD2-CG 4.11Å; W137-Q172 HydrophobicContact CE3-CB 4.28Å; W137-Q172 HydrophobicContact CG-CB 4.09Å; W137-Q172 HydrophobicContact CG-CG 3.74Å; E168-Q172 VanDerWaalsContact O-CB 3.31Å; E168-Q172 WeakPolarHBondContact O-CB 3.38Å; E168-Q172 PolarHBondContact O-N 3.08Å; A169-Q172 PolarHBondContact O-N 3.01Å; V170-Q172 VanDerWaalsContact C-N 3.34Å; V170-Q172 PolarHBondContact O-N 2.66Å; Q172-Q176 WeakPolarHBondContact O-CB 3.45Å; Q172-Q176 WeakPolarHBondContact O-CG 3.32Å; Q172-Q176 PolarHBondContact O-N 3.33Å |
| 173 | D | 98.8 | Very high | 98.8 | Very high | 111 Ų | 111 | 47.3 Ų | 47.3 | 59% | 0.594 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -68 | -44.9 | -179.3 | -75.8 | -13.6 | 0 | 0 | 0 | 112.2 | A169 V170 F175 G177 | A169-D173 PolarHBondContact O-N 2.65Å; V170-D173 PolarHBondContact O-N 3.46Å; D173-F175 PolarHBondContact O-N 2.93Å; D173-G177 PolarHBondContact O-N 3.08Å |
| 174 | Q | 98.9 | Very high | 98.8 | Very high | 65 Ų | 65 | 44.4 Ų | 44.4 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 176 | -73.9 | -173.1 | 11.4 | 0 | 0 | 111.5 | Q98 V170 A178 | Q98-Q174 HydrophobicContact CB-CB 4.34Å; Q98-Q174 HydrophobicContact CG-CB 4.23Å; V170-Q174 HydrophobicContact CG1-CG 4.2Å; V170-Q174 WeakPolarHBondContact O-CB 3.24Å; V170-Q174 WeakPolarHBondContact O-CG 3.32Å; V170-Q174 PolarHBondContact O-N 2.74Å; Q174-A178 VanDerWaalsContact O-CB 3.28Å; Q174-A178 WeakPolarHBondContact O-CB 2.99Å; Q174-A178 PolarHBondContact O-N 3.35Å |
| 175 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -52.6 | 179.5 | 174.4 | -94.6 | 0 | 0 | 0 | 111.9 | L96 P97 W133 R134 W137 N140 A171 D173 G177 A178 A179 | L96-F175 HydrophobicContact CD2-CD2 4.06Å; L96-F175 HydrophobicContact CD2-CE2 4.21Å; P97-F175 HydrophobicContact CG-CD2 4.15Å; P97-F175 HydrophobicContact CG-CE2 4.12Å; W133-F175 HydrophobicContact CB-CE2 4.25Å; W133-F175 HydrophobicContact CB-CZ 4.05Å; W133-F175 HydrophobicContact CE3-CZ 4.41Å; W133-F175 HydrophobicContact CG-CE2 4.49Å; R134-F175 WeakPolarHBondContact O-CE1 3.48Å; R134-F175 VanDerWaalsContact O-CZ 3.25Å; R134-F175 WeakPolarHBondContact O-CZ 3.45Å; W137-F175 HydrophobicContact CE3-CB 3.94Å; W137-F175 AromaticContact CE3-CD1 3.78Å; W137-F175 HydrophobicContact CE3-CD1 3.78Å; W137-F175 AromaticContact CE3-CG 3.97Å; W137-F175 HydrophobicContact CE3-CG 3.97Å; W137-F175 HydrophobicContact CZ3-CB 3.9Å; W137-F175 HydrophobicContact CZ3-CD1 4.42Å; W137-F175 HydrophobicContact CZ3-CG 4.16Å; N140-F175 WeakPolarHBondContact ND2-CE1 3.38Å; A171-F175 WeakPolarHBondContact O-CB 3.34Å; A171-F175 PolarHBondContact O-N 3.01Å; D173-F175 PolarHBondContact O-N 2.93Å; F175-G177 PolarHBondContact O-N 2.82Å; F175-A178 PolarHBondContact O-N 3.17Å; F175-A179 HydrophobicContact CE1-CB 4.45Å; F175-A179 WeakPolarHBondContact O-CB 3.28Å; F175-A179 PolarHBondContact O-N 3.33Å |
| 176 | Q | 98.9 | Very high | 98.8 | Very high | 31 Ų | 31 | 36.9 Ų | 36.9 | 15% | 0.145 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | -177.3 | -66.8 | -169.9 | 131.9 | 0 | 0 | 111.9 | W137 Q172 R180 | W137-Q176 HydrophobicContact CB-CG 4.01Å; Q172-Q176 WeakPolarHBondContact O-CB 3.45Å; Q172-Q176 WeakPolarHBondContact O-CG 3.32Å; Q172-Q176 PolarHBondContact O-N 3.33Å; Q176-R180 VanDerWaalsContact O-CB 3.26Å; Q176-R180 WeakPolarHBondContact O-CB 3.32Å; Q176-R180 PolarHBondContact O-N 3.49Å |
| 177 | G | 98.9 | Very high | 98.8 | Very high | 43 Ų | 43 | 33 Ų | 33 | 44% | 0.443 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D173 F175 A181 | D173-G177 PolarHBondContact O-N 3.08Å; F175-G177 PolarHBondContact O-N 2.82Å; G177-A181 PolarHBondContact O-N 2.82Å; G177-A181 VanDerWaalsContact O-N 3.07Å |
| 178 | A | 98.9 | Very high | 98.8 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 13% | 0.132 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69 | -48.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | P97 Q98 Q174 F175 R180 A181 W182 | P97-A178 HydrophobicContact CB-CB 3.81Å; P97-A178 HydrophobicContact CG-CB 4.11Å; Q98-A178 HydrophobicContact CB-CB 3.63Å; Q98-A178 VanDerWaalsContact N-CB 3.32Å; Q174-A178 VanDerWaalsContact O-CB 3.28Å; Q174-A178 WeakPolarHBondContact O-CB 2.99Å; Q174-A178 PolarHBondContact O-N 3.35Å; F175-A178 PolarHBondContact O-N 3.17Å; A178-R180 PolarHBondContact O-N 2.9Å; A178-A181 PolarHBondContact O-N 3.05Å; A178-W182 PolarHBondContact O-N 3.22Å |
| 179 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.8 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | P97 W133 P135 F175 M183 | P97-A179 HydrophobicContact CG-CB 4.13Å; W133-A179 HydrophobicContact CE3-CB 4.05Å; W133-A179 HydrophobicContact CH2-CB 4.23Å; W133-A179 HydrophobicContact CZ3-CB 3.59Å; P135-A179 HydrophobicContact CB-CB 4.2Å; F175-A179 HydrophobicContact CE1-CB 4.45Å; F175-A179 WeakPolarHBondContact O-CB 3.28Å; F175-A179 PolarHBondContact O-N 3.33Å; A179-M183 WeakPolarHBondContact O-CB 3.29Å; A179-M183 WeakPolarHBondContact O-CG 3.33Å; A179-M183 PolarHBondContact O-N 3.34Å |
| 180 | R | 98.8 | Very high | 98.8 | Very high | 135 Ų | 135 | 34.6 Ų | 34.6 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.1 | -50.4 | 172.3 | 173.4 | 171.9 | -179.3 | -178.3 | 1 | 112.4 | Q176 A178 W182 M183 A184 W234 | Q176-R180 VanDerWaalsContact O-CB 3.26Å; Q176-R180 WeakPolarHBondContact O-CB 3.32Å; Q176-R180 PolarHBondContact O-N 3.49Å; A178-R180 PolarHBondContact O-N 2.9Å; R180-W182 VanDerWaalsContact C-N 3.3Å; R180-W182 PolarHBondContact O-N 3.03Å; R180-M183 PolarHBondContact O-N 3.46Å; R180-A184 WeakPolarHBondContact O-CB 3.48Å; R180-A184 PolarHBondContact O-N 3.31Å; R180-W234 HydrophobicContact CB-CD2 4.34Å; R180-W234 HydrophobicContact CB-CH2 4.11Å; R180-W234 HydrophobicContact CB-CZ2 3.82Å; R180-W234 HydrophobicContact CB-CZ3 4.45Å; R180-W234 HydrophobicContact CG-CD2 3.61Å; R180-W234 HydrophobicContact CG-CE3 3.83Å; R180-W234 HydrophobicContact CG-CG 4.1Å; R180-W234 HydrophobicContact CG-CH2 4.27Å; R180-W234 HydrophobicContact CG-CZ2 4.04Å; R180-W234 HydrophobicContact CG-CZ3 4.16Å |
| 181 | A | 98.8 | Very high | 98.8 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 35% | 0.347 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60 | -41.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | L102 G177 A178 G185 | L102-A181 HydrophobicContact CD2-CB 3.82Å; G177-A181 PolarHBondContact O-N 2.82Å; G177-A181 VanDerWaalsContact O-N 3.07Å; A178-A181 PolarHBondContact O-N 3.05Å; A181-G185 WeakPolarHBondContact O-CA 3.02Å; A181-G185 PolarHBondContact O-N 2.87Å |
| 182 | W | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.2 | -56.6 | 176.1 | -80.5 | 71.5 | 0 | 0 | 0 | 112.1 | T81 P83 P97 A100 L102 H105 W130 W133 A178 R180 T186 | T81-W182 WeakPolarHBondContact O-CH2 3.4Å; T81-W182 WeakPolarHBondContact O-CZ3 3.27Å; P83-W182 HydrophobicContact CG-CE3 4.37Å; P83-W182 HydrophobicContact CG-CH2 4.04Å; P83-W182 HydrophobicContact CG-CZ2 4.31Å; P83-W182 HydrophobicContact CG-CZ3 4.08Å; P97-W182 HydrophobicContact CB-CD2 4.31Å; P97-W182 HydrophobicContact CB-CG 3.9Å; P97-W182 PolarHBondContact O-NE1 3.05Å; A100-W182 HydrophobicContact CB-CH2 3.72Å; A100-W182 HydrophobicContact CB-CZ2 3.36Å; L102-W182 HydrophobicContact CD1-CB 4.41Å; L102-W182 HydrophobicContact CD1-CD2 3.96Å; L102-W182 HydrophobicContact CD1-CG 3.86Å; H105-W182 HydrophobicContact CB-CE3 4.09Å; H105-W182 HydrophobicContact CB-CH2 3.49Å; H105-W182 VanDerWaalsContact CB-CH2 3.49Å; H105-W182 HydrophobicContact CB-CZ2 4.25Å; H105-W182 HydrophobicContact CB-CZ3 3.38Å; H105-W182 AromaticContact CD2-CE3 3.85Å; H105-W182 AromaticContact CD2-CZ3 3.94Å; H105-W182 AromaticContact CG-CE3 3.59Å; H105-W182 AromaticContact CG-CH2 3.88Å; H105-W182 AromaticContact CG-CZ3 3.2Å; H105-W182 AromaticContact ND1-CE3 3.76Å; H105-W182 AromaticContact ND1-CZ3 3.28Å; H105-W182 VanDerWaalsContact ND1-CZ3 3.28Å; H105-W182 WeakPolarHBondContact ND1-CZ3 3.37Å; W130-W182 HydrophobicContact CH2-CE3 4.39Å; W133-W182 HydrophobicContact CH2-CB 4.23Å; A178-W182 PolarHBondContact O-N 3.22Å; R180-W182 VanDerWaalsContact C-N 3.3Å; R180-W182 PolarHBondContact O-N 3.03Å; W182-T186 WeakPolarHBondContact O-CB 3.39Å; W182-T186 PolarHBondContact O-N 2.67Å; W182-T186 PolarHBondContact O-OG1 3.06Å |
| 183 | M | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.9 | -45.5 | -176 | -68.9 | -178.8 | 76.9 | 0 | 0 | 112.5 | W130 W133 P135 A179 R180 T186 L187 F201 F204 W234 L235 | W130-M183 HydrophobicContact CE3-CG 4.27Å; W130-M183 HydrophobicContact CZ3-CG 4.25Å; W133-M183 HydrophobicContact CH2-CG 3.87Å; W133-M183 HydrophobicContact CH2-SD 4.35Å; W133-M183 HydrophobicContact CZ3-CG 3.91Å; W133-M183 HydrophobicContact CZ3-SD 3.77Å; P135-M183 HydrophobicContact CB-SD 3.62Å; P135-M183 HydrophobicContact CG-CE 4.22Å; P135-M183 HydrophobicContact CG-SD 3.58Å; P135-M183 VanDerWaalsContact CG-SD 3.58Å; A179-M183 WeakPolarHBondContact O-CB 3.29Å; A179-M183 WeakPolarHBondContact O-CG 3.33Å; A179-M183 PolarHBondContact O-N 3.34Å; R180-M183 PolarHBondContact O-N 3.46Å; M183-T186 PolarHBondContact O-N 2.79Å; M183-L187 PolarHBondContact O-N 3.48Å; M183-L187 VanDerWaalsContact O-N 3.14Å; M183-F201 HydrophobicContact CB-CE2 3.79Å; M183-F201 HydrophobicContact CB-CZ 3.87Å; M183-F201 HydrophobicContact CE-CB 4.42Å; M183-F201 HydrophobicContact CE-CD1 4.05Å; M183-F201 HydrophobicContact CE-CD2 3.56Å; M183-F201 HydrophobicContact CE-CE1 4.17Å; M183-F201 HydrophobicContact CE-CE2 3.66Å; M183-F201 HydrophobicContact CE-CG 3.75Å; M183-F201 HydrophobicContact CE-CZ 3.99Å; M183-F201 HydrophobicContact CG-CE1 4.49Å; M183-F201 HydrophobicContact CG-CE2 4.16Å; M183-F201 HydrophobicContact CG-CZ 3.92Å; M183-F204 HydrophobicContact CE-CE1 4.46Å; M183-F204 HydrophobicContact CE-CE2 4.1Å; M183-F204 HydrophobicContact CE-CZ 4.03Å; M183-W234 HydrophobicContact CB-CH2 3.88Å; M183-W234 HydrophobicContact CB-CZ3 3.87Å; M183-W234 HydrophobicContact SD-CH2 4.21Å; M183-L235 HydrophobicContact CB-CD1 4.42Å; M183-L235 HydrophobicContact CE-CD1 3.99Å; M183-L235 HydrophobicContact CE-CD2 4.07Å |
| 184 | A | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.3 | -43.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R180 T186 L187 Q188 W234 Q238 | R180-A184 WeakPolarHBondContact O-CB 3.48Å; R180-A184 PolarHBondContact O-N 3.31Å; A184-T186 VanDerWaalsContact C-N 3.33Å; A184-T186 PolarHBondContact O-N 3.17Å; A184-L187 PolarHBondContact O-N 2.91Å; A184-Q188 WeakPolarHBondContact O-CB 3.44Å; A184-Q188 PolarHBondContact O-N 3.18Å; A184-W234 HydrophobicContact CB-CE3 3.84Å; A184-W234 HydrophobicContact CB-CZ3 3.97Å; A184-Q238 HydrophobicContact CB-CG 4.23Å |
| 185 | G | 98.7 | Very high | 98.6 | Very high | 19 Ų | 19 | 32.2 Ų | 32.2 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A181 Q188 L189 | A181-G185 WeakPolarHBondContact O-CA 3.02Å; A181-G185 PolarHBondContact O-N 2.87Å; G185-Q188 PolarHBondContact O-N 3.03Å; G185-L189 VanDerWaalsContact O-CB 3.32Å; G185-L189 WeakPolarHBondContact O-CB 3.08Å; G185-L189 PolarHBondContact O-N 3.47Å |
| 186 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -49.7 | 177.5 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | L79 H105 T109 I128 W130 W182 M183 A184 Q188 L189 G190 | L79-T186 HydrophobicContact CD2-CG2 3.65Å; L79-T186 HydrophobicContact CG-CG2 4.24Å; H105-T186 PolarHBondContact NE2-OG1 2.82Å; T109-T186 HydrophobicContact CG2-CG2 3.96Å; I128-T186 HydrophobicContact CD1-CG2 3.84Å; W130-T186 HydrophobicContact CH2-CG2 4.2Å; W130-T186 WeakPolarHBondContact CH2-OG1 3.37Å; W130-T186 HydrophobicContact CZ2-CG2 4.36Å; W182-T186 WeakPolarHBondContact O-CB 3.39Å; W182-T186 PolarHBondContact O-N 2.67Å; W182-T186 PolarHBondContact O-OG1 3.06Å; M183-T186 PolarHBondContact O-N 2.79Å; A184-T186 VanDerWaalsContact C-N 3.33Å; A184-T186 PolarHBondContact O-N 3.17Å; T186-Q188 PolarHBondContact O-N 3.1Å; T186-L189 PolarHBondContact O-N 2.62Å; T186-G190 PolarHBondContact O-N 2.96Å |
| 187 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 176 | -74.8 | 174.3 | 0 | 0 | 0 | 111.9 | I128 M183 A184 L189 G190 R191 W199 F201 L235 Q238 | I128-L187 HydrophobicContact CD1-CD2 3.89Å; M183-L187 PolarHBondContact O-N 3.48Å; M183-L187 VanDerWaalsContact O-N 3.14Å; A184-L187 PolarHBondContact O-N 2.91Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.28Å; L187-G190 PolarHBondContact O-N 3.34Å; L187-R191 WeakPolarHBondContact O-CG 3.19Å; L187-R191 PolarHBondContact O-N 3.33Å; L187-W199 HydrophobicContact CD2-CB 3.88Å; L187-F201 HydrophobicContact CD1-CD2 3.82Å; L187-F201 HydrophobicContact CD1-CE2 3.56Å; L187-F201 HydrophobicContact CD2-CD2 4.24Å; L187-F201 HydrophobicContact CD2-CE2 4.04Å; L187-F201 HydrophobicContact CG-CD2 4.08Å; L187-F201 HydrophobicContact CG-CE2 3.52Å; L187-F201 HydrophobicContact CG-CZ 4.32Å; L187-L235 HydrophobicContact CD1-CD1 3.75Å; L187-Q238 HydrophobicContact CB-CB 4.16Å; L187-Q238 HydrophobicContact CD1-CB 4.01Å |
| 188 | Q | 98.6 | Very high | 98.4 | Very high | 106 Ų | 106 | 36.5 Ų | 36.5 | 50% | 0.495 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 180 | -178.6 | 172.4 | -31.3 | 0 | 0 | 111.4 | A184 G185 T186 R191 A192 | A184-Q188 WeakPolarHBondContact O-CB 3.44Å; A184-Q188 PolarHBondContact O-N 3.18Å; G185-Q188 PolarHBondContact O-N 3.03Å; T186-Q188 PolarHBondContact O-N 3.1Å; Q188-R191 PolarHBondContact O-N 3.3Å; Q188-A192 WeakPolarHBondContact O-CB 3.5Å; Q188-A192 PolarHBondContact O-N 3.39Å |
| 189 | L | 98.7 | Very high | 98.4 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 17% | 0.173 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 174.8 | -178.9 | 57.5 | 0 | 0 | 0 | 111.8 | L106 T109 F110 I113 G185 T186 L187 R191 A192 L193 | L106-L189 HydrophobicContact CB-CD2 4.41Å; L106-L189 HydrophobicContact CD2-CD2 4.15Å; L106-L189 WeakPolarHBondContact O-CD2 3.22Å; T109-L189 HydrophobicContact CG2-CD2 3.88Å; F110-L189 HydrophobicContact CB-CD2 4.19Å; F110-L189 HydrophobicContact CD2-CD1 4.11Å; I113-L189 HydrophobicContact CD1-CG 4.33Å; G185-L189 VanDerWaalsContact O-CB 3.32Å; G185-L189 WeakPolarHBondContact O-CB 3.08Å; G185-L189 PolarHBondContact O-N 3.47Å; T186-L189 PolarHBondContact O-N 2.62Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.28Å; L189-R191 PolarHBondContact O-N 3.11Å; L189-A192 PolarHBondContact O-N 3.15Å; L189-A192 VanDerWaalsContact O-N 3.16Å; L189-L193 HydrophobicContact CD1-CD1 4.05Å; L189-L193 HydrophobicContact CD1-CG 4.13Å; L189-L193 HydrophobicContact CG-CD1 4.23Å; L189-L193 WeakPolarHBondContact O-CG 3.19Å; L189-L193 PolarHBondContact O-N 3.12Å |
| 190 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -49.9 | -54 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T186 L187 A192 L193 R194 W199 | T186-G190 PolarHBondContact O-N 2.96Å; L187-G190 PolarHBondContact O-N 3.34Å; G190-A192 PolarHBondContact O-N 3.02Å; G190-L193 PolarHBondContact O-N 2.93Å; G190-R194 PolarHBondContact O-N 3.44Å; G190-W199 VanDerWaalsContact C-NE1 3.27Å; G190-W199 VanDerWaalsContact CA-CE2 3.49Å; G190-W199 VanDerWaalsContact CA-CZ2 3.46Å; G190-W199 WeakPolarHBondContact O-CZ2 3.39Å; G190-W199 PolarHBondContact O-NE1 2.73Å |
| 191 | R | 98.1 | Very high | 98.4 | Very high | 46 Ų | 46 | 29.5 Ų | 29.5 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -36.8 | 177.1 | -64.3 | -172.5 | -38.4 | -166.4 | 6.5 | 113.1 | L187 Q188 L189 L193 R194 P195 W199 G237 Q238 R240 | L187-R191 WeakPolarHBondContact O-CG 3.19Å; L187-R191 PolarHBondContact O-N 3.33Å; Q188-R191 PolarHBondContact O-N 3.3Å; L189-R191 PolarHBondContact O-N 3.11Å; R191-L193 PolarHBondContact O-N 2.92Å; R191-R194 CarbonylContact O-C 3.4Å; R191-P195 WeakPolarHBondContact O-CA 3.41Å; R191-P195 WeakPolarHBondContact O-CB 3.39Å; R191-W199 HydrophobicContact CG-CB 4.33Å; R191-W199 HydrophobicContact CG-CG 4.18Å; R191-G237 PolarHBondContact NH1-O 2.86Å; R191-Q238 WeakPolarHBondContact CD-O 3.42Å; R191-Q238 PolarHBondContact NH1-O 3.35Å; R191-R240 HydrophobicContact CG-CG 4.05Å |
| 192 | A | 98.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 28.7 Ų | 28.7 | 63% | 0.628 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -62.2 | -37.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q188 L189 G190 | Q188-A192 WeakPolarHBondContact O-CB 3.5Å; Q188-A192 PolarHBondContact O-N 3.39Å; L189-A192 PolarHBondContact O-N 3.15Å; L189-A192 VanDerWaalsContact O-N 3.16Å; G190-A192 PolarHBondContact O-N 3.02Å |
| 193 | L | 98.3 | Very high | 98.4 | Very high | 31 Ų | 31 | 29.3 Ų | 29.3 | 16% | 0.162 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -85.2 | -37.9 | 179.4 | -64.4 | 178.3 | 0 | 0 | 0 | 113 | F110 I113 L114 L189 G190 R191 | F110-L193 HydrophobicContact CD2-CD1 3.95Å; F110-L193 HydrophobicContact CD2-CD2 4.08Å; F110-L193 HydrophobicContact CE2-CD1 4.33Å; F110-L193 HydrophobicContact CE2-CD2 3.64Å; F110-L193 HydrophobicContact CG-CD1 4.21Å; F110-L193 HydrophobicContact CZ-CD2 4.16Å; I113-L193 HydrophobicContact CB-CD1 3.97Å; I113-L193 HydrophobicContact CD1-CD1 4.02Å; I113-L193 HydrophobicContact CG2-CB 3.99Å; I113-L193 HydrophobicContact CG2-CD1 3.93Å; L114-L193 HydrophobicContact CD2-CD1 4.49Å; L114-L193 HydrophobicContact CD2-CD2 4.43Å; L189-L193 HydrophobicContact CD1-CD1 4.05Å; L189-L193 HydrophobicContact CD1-CG 4.13Å; L189-L193 HydrophobicContact CG-CD1 4.23Å; L189-L193 WeakPolarHBondContact O-CG 3.19Å; L189-L193 PolarHBondContact O-N 3.12Å; G190-L193 PolarHBondContact O-N 2.93Å; R191-L193 PolarHBondContact O-N 2.92Å |
| 194 | R | 98 | Very high | 98.4 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | trans | -130.4 | 76 | -178.3 | -59 | -63.8 | 176.1 | -93.2 | 2.9 | 109.1 | I113 L114 I117 A119 G190 R191 R196 G197 W199 | I113-R194 HydrophobicContact CG2-CG 4.05Å; L114-R194 VanDerWaalsContact CD2-NH2 3.34Å; I117-R194 HydrophobicContact CB-CG 4.26Å; I117-R194 HydrophobicContact CD1-CG 4.4Å; I117-R194 HydrophobicContact CG2-CG 3.9Å; I117-R194 PolarHBondContact O-NE 3.43Å; I117-R194 PolarHBondContact O-NH2 2.86Å; A119-R194 WeakPolarHBondContact O-CD 3.44Å; A119-R194 PolarHBondContact O-NE 3.21Å; A119-R194 VanDerWaalsContact O-NE 3.14Å; G190-R194 PolarHBondContact O-N 3.44Å; R191-R194 CarbonylContact O-C 3.4Å; R194-R196 PolarHBondContact O-N 2.87Å; R194-G197 PolarHBondContact O-N 2.76Å; R194-W199 HydrophobicContact CB-CZ2 4.05Å; R194-W199 HydrophobicContact CG-CZ2 4.36Å; R194-W199 PolarHBondContact O-NE1 2.82Å | ||
| 195 | P | 97.3 | Very high | 98.4 | Very high | 66 Ų | 66 | 29.7 Ų | 29.7 | 43% | 0.429 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.4 | -169.5 | 24.7 | -35 | 0 | 0 | 0 | 114.1 | R191 | R191-P195 WeakPolarHBondContact O-CA 3.41Å; R191-P195 WeakPolarHBondContact O-CB 3.39Å |
| 196 | R | 96.6 | Very high | 98.4 | Very high | 154 Ų | 154 | 29.6 Ų | 29.6 | 58% | 0.581 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -12.4 | 176.3 | -65 | 179.7 | -179.8 | 170.6 | -0.4 | 113.2 | R23 F122 R194 | R23-R196 PolarHBondContact NH2-O 3.01Å; F122-R196 CarbonylContact O-C 3.48Å; F122-R196 VanDerWaalsContact O-C 3.25Å; F122-R196 VanDerWaalsContact O-CB 3.32Å; F122-R196 WeakPolarHBondContact O-CB 3.3Å; R194-R196 PolarHBondContact O-N 2.87Å |
| 197 | G | 97.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -63 | 139.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F122 R194 W199 | F122-G197 PolarHBondContact O-N 3.25Å; F122-G197 VanDerWaalsContact O-N 3.08Å; R194-G197 PolarHBondContact O-N 2.76Å; G197-W199 VanDerWaalsContact C-N 3.25Å; G197-W199 PolarHBondContact O-N 3.05Å |
| 198 | L | 98.1 | Very high | 98.3 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 77.6 | 173.3 | -58.6 | 177.6 | 0 | 0 | 0 | 108.8 | R23 L26 G124 L125 A126 A241 Y243 P282 | R23-L198 VanDerWaalsContact NH2-CD2 3.31Å; R23-L198 VanDerWaalsContact NH2-CG 3.26Å; L26-L198 HydrophobicContact CD1-CD1 4.01Å; L26-L198 HydrophobicContact CD2-CD1 3.76Å; G124-L198 PolarHBondContact O-N 2.66Å; L125-L198 HydrophobicContact CD1-CD1 4.16Å; A126-L198 PolarHBondContact N-O 3.39Å; L198-A241 HydrophobicContact CB-CB 3.85Å; L198-Y243 PolarHBondContact O-OH 3.32Å; L198-P282 HydrophobicContact CD2-CG 4.23Å |
| 199 | W | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 131.2 | -178.6 | -69 | 95.2 | 0 | 0 | 0 | 112.4 | F74 I113 I117 A126 I128 L187 G190 R191 R194 G197 R240 A241 | F74-W199 HydrophobicContact CD2-CZ3 4.22Å; F74-W199 AromaticContact CE2-CH2 3.74Å; F74-W199 HydrophobicContact CE2-CH2 3.74Å; F74-W199 AromaticContact CE2-CZ3 3.77Å; F74-W199 HydrophobicContact CE2-CZ3 3.77Å; F74-W199 HydrophobicContact CZ-CH2 4.22Å; I113-W199 HydrophobicContact CD1-CH2 4.19Å; I113-W199 HydrophobicContact CG1-CH2 3.97Å; I113-W199 HydrophobicContact CG2-CH2 4.24Å; I113-W199 HydrophobicContact CG2-CZ2 4.27Å; I117-W199 HydrophobicContact CD1-CH2 4.02Å; I117-W199 HydrophobicContact CD1-CZ2 4.01Å; A126-W199 HydrophobicContact CB-CD2 3.51Å; A126-W199 HydrophobicContact CB-CE3 3.59Å; A126-W199 HydrophobicContact CB-CG 4.02Å; A126-W199 HydrophobicContact CB-CH2 4.12Å; A126-W199 HydrophobicContact CB-CZ2 4.06Å; A126-W199 HydrophobicContact CB-CZ3 3.9Å; A126-W199 WeakPolarHBondContact O-CA 3.2Å; I128-W199 HydrophobicContact CD1-CE3 4.08Å; I128-W199 HydrophobicContact CD1-CZ3 4.24Å; I128-W199 HydrophobicContact CG1-CE3 4.28Å; I128-W199 HydrophobicContact CG1-CZ3 4.28Å; L187-W199 HydrophobicContact CD2-CB 3.88Å; G190-W199 VanDerWaalsContact C-NE1 3.27Å; G190-W199 VanDerWaalsContact CA-CE2 3.49Å; G190-W199 VanDerWaalsContact CA-CZ2 3.46Å; G190-W199 WeakPolarHBondContact O-CZ2 3.39Å; G190-W199 PolarHBondContact O-NE1 2.73Å; R191-W199 HydrophobicContact CG-CB 4.33Å; R191-W199 HydrophobicContact CG-CG 4.18Å; R194-W199 HydrophobicContact CB-CZ2 4.05Å; R194-W199 HydrophobicContact CG-CZ2 4.36Å; R194-W199 PolarHBondContact O-NE1 2.82Å; G197-W199 VanDerWaalsContact C-N 3.25Å; G197-W199 PolarHBondContact O-N 3.05Å; W199-R240 PolarHBondContact O-N 3.38Å; W199-A241 PolarHBondContact O-N 2.94Å; W199-A241 VanDerWaalsContact O-N 3.14Å |
| 200 | G | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 161.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A126 I128 | A126-G200 PolarHBondContact O-N 2.87Å; A126-G200 VanDerWaalsContact O-N 3.15Å; I128-G200 PolarHBondContact N-O 3.17Å |
| 201 | F | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 136.1 | 174.1 | -72.8 | -85.3 | 0 | 0 | 0 | 110.8 | I128 W130 M183 L187 F204 L235 | I128-F201 HydrophobicContact CB-CD1 3.65Å; I128-F201 HydrophobicContact CB-CE1 3.7Å; I128-F201 HydrophobicContact CB-CG 4.39Å; I128-F201 HydrophobicContact CB-CZ 4.47Å; I128-F201 HydrophobicContact CD1-CE1 4.16Å; I128-F201 HydrophobicContact CD1-CZ 4.11Å; I128-F201 HydrophobicContact CG2-CD1 3.7Å; I128-F201 HydrophobicContact CG2-CE1 3.37Å; I128-F201 HydrophobicContact CG2-CZ 4.31Å; I128-F201 CarbonylContact O-C 3.25Å; I128-F201 VanDerWaalsContact O-CA 3.27Å; I128-F201 WeakPolarHBondContact O-CA 3.4Å; I128-F201 WeakPolarHBondContact O-CD1 3.24Å; W130-F201 HydrophobicContact CB-CD1 4.08Å; W130-F201 HydrophobicContact CB-CE1 4.11Å; W130-F201 AromaticContact CD2-CE1 3.7Å; W130-F201 HydrophobicContact CD2-CE1 3.7Å; W130-F201 AromaticContact CE3-CE1 3.51Å; W130-F201 HydrophobicContact CE3-CE1 3.51Å; W130-F201 HydrophobicContact CE3-CZ 4.02Å; W130-F201 HydrophobicContact CG-CD1 4.36Å; W130-F201 AromaticContact CG-CE1 3.98Å; W130-F201 HydrophobicContact CG-CE1 3.98Å; W130-F201 HydrophobicContact CZ3-CE1 4.14Å; W130-F201 HydrophobicContact CZ3-CZ 4.22Å; M183-F201 HydrophobicContact CB-CE2 3.79Å; M183-F201 HydrophobicContact CB-CZ 3.87Å; M183-F201 HydrophobicContact CE-CB 4.42Å; M183-F201 HydrophobicContact CE-CD1 4.05Å; M183-F201 HydrophobicContact CE-CD2 3.56Å; M183-F201 HydrophobicContact CE-CE1 4.17Å; M183-F201 HydrophobicContact CE-CE2 3.66Å; M183-F201 HydrophobicContact CE-CG 3.75Å; M183-F201 HydrophobicContact CE-CZ 3.99Å; M183-F201 HydrophobicContact CG-CE1 4.49Å; M183-F201 HydrophobicContact CG-CE2 4.16Å; M183-F201 HydrophobicContact CG-CZ 3.92Å; L187-F201 HydrophobicContact CD1-CD2 3.82Å; L187-F201 HydrophobicContact CD1-CE2 3.56Å; L187-F201 HydrophobicContact CD2-CD2 4.24Å; L187-F201 HydrophobicContact CD2-CE2 4.04Å; L187-F201 HydrophobicContact CG-CD2 4.08Å; L187-F201 HydrophobicContact CG-CE2 3.52Å; L187-F201 HydrophobicContact CG-CZ 4.32Å; F201-F204 HydrophobicContact CB-CB 4.45Å; F201-F204 HydrophobicContact CB-CD2 3.62Å; F201-F204 HydrophobicContact CB-CE2 4.25Å; F201-F204 HydrophobicContact CB-CG 4.32Å; F201-L235 HydrophobicContact CD2-CD1 3.8Å; F201-L235 HydrophobicContact CE2-CD1 3.97Å |
| 202 | Y | 98.7 | Very high | 98.1 | Very high | 26 Ų | 26 | 30.5 Ų | 30.5 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -58.4 | 140.3 | 167.9 | 165.4 | -100.2 | 0 | 0 | 0 | 110.7 | I128 D129 E131 F204 S245 Y247 Y286 | I128-Y202 PolarHBondContact O-N 2.8Å; D129-Y202 WeakPolarHBondContact OD1-CD1 3.08Å; E131-Y202 HydrophobicContact CG-CD1 4.04Å; E131-Y202 HydrophobicContact CG-CE1 4.16Å; E131-Y202 WeakPolarHBondContact OE2-CE1 3.33Å; Y202-F204 VanDerWaalsContact C-N 3.33Å; Y202-F204 VanDerWaalsContact O-CD2 3.31Å; Y202-F204 WeakPolarHBondContact O-CD2 3.31Å; Y202-F204 PolarHBondContact O-N 2.71Å; Y202-S245 PolarHBondContact OH-OG 2.9Å; Y202-Y247 WeakPolarHBondContact OH-CE2 2.99Å; Y202-Y286 AromaticContact CD2-CD1 3.86Å; Y202-Y286 HydrophobicContact CD2-CD1 3.86Å; Y202-Y286 AromaticContact CD2-CD2 3.79Å; Y202-Y286 HydrophobicContact CD2-CD2 3.79Å; Y202-Y286 HydrophobicContact CD2-CE1 4.1Å; Y202-Y286 HydrophobicContact CD2-CE2 4.03Å; Y202-Y286 AromaticContact CD2-CG 3.69Å; Y202-Y286 HydrophobicContact CD2-CG 3.69Å; Y202-Y286 AromaticContact CE2-CD1 3.73Å; Y202-Y286 HydrophobicContact CE2-CD1 3.73Å; Y202-Y286 HydrophobicContact CE2-CD2 4.22Å; Y202-Y286 HydrophobicContact CE2-CE1 4.34Å; Y202-Y286 AromaticContact CE2-CG 3.64Å; Y202-Y286 HydrophobicContact CE2-CG 3.64Å |
| 203 | G | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 17% | 0.165 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 4.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P205 D206 Y243 | G203-P205 CarbonylContact O-C 3.14Å; G203-D206 PolarHBondContact O-N 2.75Å; G203-Y243 WeakPolarHBondContact CA-O 3.39Å; G203-Y243 PolarHBondContact N-O 2.85Å |
| 204 | F | 98.9 | Very high | 97.9 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 10% | 0.096 | 17% | 0.172 | C | C | . | . | trans | -113.6 | 131.4 | -178.2 | -74.8 | -91.9 | 0 | 0 | 0 | 113.2 | P135 M183 F201 Y202 L232 L235 W236 Y243 | P135-F204 HydrophobicContact CG-CE1 3.88Å; P135-F204 HydrophobicContact CG-CZ 4.18Å; M183-F204 HydrophobicContact CE-CE1 4.46Å; M183-F204 HydrophobicContact CE-CE2 4.1Å; M183-F204 HydrophobicContact CE-CZ 4.03Å; F201-F204 HydrophobicContact CB-CB 4.45Å; F201-F204 HydrophobicContact CB-CD2 3.62Å; F201-F204 HydrophobicContact CB-CE2 4.25Å; F201-F204 HydrophobicContact CB-CG 4.32Å; Y202-F204 VanDerWaalsContact C-N 3.33Å; Y202-F204 VanDerWaalsContact O-CD2 3.31Å; Y202-F204 WeakPolarHBondContact O-CD2 3.31Å; Y202-F204 PolarHBondContact O-N 2.71Å; F204-L232 HydrophobicContact CE1-CD1 4.48Å; F204-L235 HydrophobicContact CB-CD2 4.43Å; F204-L235 HydrophobicContact CD1-CD2 3.7Å; F204-L235 HydrophobicContact CE1-CD2 4.2Å; F204-L235 HydrophobicContact CG-CD2 4.13Å; F204-W236 HydrophobicContact CB-CH2 4.24Å; F204-W236 HydrophobicContact CB-CZ3 3.95Å; F204-W236 HydrophobicContact CD1-CH2 4.2Å; F204-Y243 PolarHBondContact O-N 3.46Å | ||
| 205 | P | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | S | Bend | cis | -71.9 | 159.3 | -8.3 | 31.7 | -36.2 | 0 | 0 | 0 | 112.9 | G203 W236 E268 A269 V272 | G203-P205 CarbonylContact O-C 3.14Å; P205-W236 HydrophobicContact CB-CH2 3.61Å; P205-W236 HydrophobicContact CB-CZ2 4.1Å; P205-W236 HydrophobicContact CB-CZ3 4.27Å; P205-W236 HydrophobicContact CG-CH2 4.46Å; P205-E268 HydrophobicContact CB-CG 4.17Å; P205-E268 HydrophobicContact CG-CG 4.02Å; P205-A269 HydrophobicContact CG-CB 4.02Å; P205-V272 HydrophobicContact CB-CG2 4.44Å; P205-V272 HydrophobicContact CG-CG2 3.89Å |
| 206 | D | 98.7 | Very high | 97.6 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 10% | 0.096 | 23% | 0.225 | C | C | . | . | trans | -103.4 | 138.4 | 161.2 | -162.6 | -29.4 | 0 | 0 | 0 | 109 | G203 Y208 Y210 N229 R265 | G203-D206 PolarHBondContact O-N 2.75Å; D206-Y208 HydrophobicContact CB-CD2 4Å; D206-Y208 HydrophobicContact CB-CE1 4.29Å; D206-Y208 HydrophobicContact CB-CE2 3.69Å; D206-Y208 HydrophobicContact CB-CG 4.46Å; D206-Y208 PolarHBondContact OD1-N 3.27Å; D206-Y210 PolarHBondContact OD1-OH 3.12Å; D206-Y210 PolarHBondContact OD2-OH 3.17Å; D206-N229 PolarHBondContact O-ND2 3.11Å; D206-R265 IonicContact OD1-CZ 3.27Å; D206-R265 VanDerWaalsContact OD1-CZ 3.32Å; D206-R265 IonicContact OD1-NH1 3.27Å; D206-R265 PolarHBondContact OD1-NH1 2.95Å; D206-R265 IonicContact OD1-NH2 3.29Å; D206-R265 PolarHBondContact OD1-NH2 2.75Å; D206-R265 VanDerWaalsContact OD1-NH2 3.1Å; D206-R265 IonicContact OD2-NH2 3.8Å; D206-R265 PolarHBondContact OD2-NH2 3.31Å | ||
| 207 | C | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | trans | -90.5 | -17.4 | 178.5 | -179 | 0 | 0 | 0 | 0 | 112.4 | N209 C221 P222 I225 R265 | C207-N209 PolarHBondContact O-N 2.9Å; C207-N209 VanDerWaalsContact O-N 3.16Å; C207-N209 VanDerWaalsContact SG-CG 3.55Å; C207-C221 HydrophobicContact CB-CB 4.02Å; C207-C221 WeakPolarHBondContact CB-SG 3.37Å; C207-C221 WeakPolarHBondContact O-CA 3.21Å; C207-C221 VanDerWaalsContact O-CB 3.3Å; C207-C221 WeakPolarHBondContact O-CB 3.14Å; C207-C221 WeakPolarHBondContact SG-CA 3.44Å; C207-C221 WeakPolarHBondContact SG-CB 3.42Å; C207-C221 PolarHBondContact SG-N 2.84Å; C207-C221 CovalentContact SG-SG 2.02Å; C207-C221 PolarHBondContact SG-SG 2.86Å; C207-P222 WeakPolarHBondContact O-CD 3.48Å; C207-I225 WeakPolarHBondContact O-CG2 3.33Å; C207-R265 HydrophobicContact CB-CB 4.46Å; C207-R265 HydrophobicContact CB-CG 3.72Å | ||
| 208 | Y | 98.4 | Very high | 97.7 | Very high | 26 Ų | 26 | 40 Ų | 40 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | trans | 48.3 | 36.2 | -177.4 | -60.7 | -79.7 | 0 | 0 | 0 | 114.7 | F139 W141 D206 Y210 I225 | F139-Y208 HydrophobicContact CB-CE2 4.5Å; F139-Y208 AromaticContact CD1-CE2 3.96Å; F139-Y208 HydrophobicContact CD1-CE2 3.96Å; F139-Y208 AromaticContact CD2-CE2 3.7Å; F139-Y208 HydrophobicContact CD2-CE2 3.7Å; F139-Y208 HydrophobicContact CE1-CD2 4.25Å; F139-Y208 AromaticContact CE1-CE2 3.97Å; F139-Y208 HydrophobicContact CE1-CE2 3.97Å; F139-Y208 AromaticContact CE2-CE2 3.71Å; F139-Y208 HydrophobicContact CE2-CE2 3.71Å; F139-Y208 AromaticContact CG-CE2 3.81Å; F139-Y208 HydrophobicContact CG-CE2 3.81Å; F139-Y208 AromaticContact CG-CZ 3.97Å; F139-Y208 HydrophobicContact CZ-CD2 4.19Å; F139-Y208 AromaticContact CZ-CE2 3.81Å; F139-Y208 HydrophobicContact CZ-CE2 3.81Å; W141-Y208 HydrophobicContact CH2-CD1 4.09Å; W141-Y208 HydrophobicContact CH2-CD2 4.43Å; W141-Y208 HydrophobicContact CH2-CE1 4.26Å; W141-Y208 HydrophobicContact CH2-CG 4.16Å; W141-Y208 AromaticContact CZ2-CD1 3.43Å; W141-Y208 HydrophobicContact CZ2-CD1 3.43Å; W141-Y208 VanDerWaalsContact CZ2-CD1 3.43Å; W141-Y208 AromaticContact CZ2-CE1 3.52Å; W141-Y208 HydrophobicContact CZ2-CE1 3.52Å; W141-Y208 AromaticContact CZ2-CG 3.96Å; W141-Y208 HydrophobicContact CZ2-CG 3.96Å; D206-Y208 HydrophobicContact CB-CD2 4Å; D206-Y208 HydrophobicContact CB-CE1 4.29Å; D206-Y208 HydrophobicContact CB-CE2 3.69Å; D206-Y208 HydrophobicContact CB-CG 4.46Å; D206-Y208 PolarHBondContact OD1-N 3.27Å; Y208-Y210 HydrophobicContact CD1-CD2 4.3Å; Y208-Y210 AromaticContact CD1-CE2 3.81Å; Y208-Y210 HydrophobicContact CD1-CE2 3.81Å; Y208-Y210 HydrophobicContact CG-CE2 4.41Å; Y208-Y210 PolarHBondContact O-N 3.4Å; Y208-I225 HydrophobicContact CD2-CD1 3.82Å; Y208-I225 HydrophobicContact CD2-CG1 4.36Å; Y208-I225 HydrophobicContact CD2-CG2 3.66Å; Y208-I225 HydrophobicContact CG-CD1 4.11Å; Y208-I225 HydrophobicContact CG-CG2 4.5Å | ||
| 209 | N | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -87.7 | 46.6 | 179.5 | 59.6 | -27.8 | 0 | 0 | 0 | 112.8 | C207 Y217 G219 Y261 R265 | C207-N209 PolarHBondContact O-N 2.9Å; C207-N209 VanDerWaalsContact O-N 3.16Å; C207-N209 VanDerWaalsContact SG-CG 3.55Å; N209-Y217 WeakPolarHBondContact O-CE2 3.48Å; N209-Y217 PolarHBondContact O-OH 3.28Å; N209-G219 WeakPolarHBondContact CB-O 3.13Å; N209-G219 PolarHBondContact ND2-O 2.88Å; N209-Y261 PolarHBondContact ND2-O 3.44Å; N209-Y261 WeakPolarHBondContact OD1-CE2 3.42Å; N209-R265 WeakPolarHBondContact OD1-CD 3.48Å; N209-R265 WeakPolarHBondContact OD1-CG 3.47Å; N209-R265 PolarHBondContact OD1-NH1 3.44Å; N209-R265 VanDerWaalsContact OD1-NH1 3.1Å | ||
| 210 | Y | 97.7 | Very high | 97.6 | Very high | 92 Ų | 92 | 44.4 Ų | 44.4 | 36% | 0.361 | 24% | 0.238 | S | C | . | . | trans | -92.1 | 10.3 | -175.2 | -55.2 | -73.5 | 0 | 0 | 0 | 113.6 | D206 Y208 F212 P249 Y261 R265 | D206-Y210 PolarHBondContact OD1-OH 3.12Å; D206-Y210 PolarHBondContact OD2-OH 3.17Å; Y208-Y210 HydrophobicContact CD1-CD2 4.3Å; Y208-Y210 AromaticContact CD1-CE2 3.81Å; Y208-Y210 HydrophobicContact CD1-CE2 3.81Å; Y208-Y210 HydrophobicContact CG-CE2 4.41Å; Y208-Y210 PolarHBondContact O-N 3.4Å; Y210-F212 HydrophobicContact CD1-CE2 4.04Å; Y210-F212 AromaticContact CD1-CZ 3.93Å; Y210-F212 HydrophobicContact CD1-CZ 3.93Å; Y210-F212 WeakPolarHBondContact O-CD2 3.12Å; Y210-F212 PolarHBondContact O-N 2.96Å; Y210-P249 HydrophobicContact CD1-CG 4.4Å; Y210-Y261 AromaticContact CD1-CE2 3.95Å; Y210-Y261 HydrophobicContact CD1-CE2 3.95Å; Y210-Y261 AromaticContact CE1-CE2 3.84Å; Y210-Y261 HydrophobicContact CE1-CE2 3.84Å; Y210-Y261 WeakPolarHBondContact CE1-OH 3.49Å; Y210-R265 PolarHBondContact OH-NH1 3.31Å; Y210-R265 PolarHBondContact OH-NH2 3.26Å; Y210-R265 VanDerWaalsContact OH-NH2 3.13Å | ||
| 211 | D | 96.4 | Very high | 97.6 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | trans | -77.3 | 41.1 | -178.5 | 60.7 | -48.9 | 0 | 0 | 0 | 113 | L213 S214 Y217 | D211-L213 PolarHBondContact O-N 3.05Å; D211-S214 WeakPolarHBondContact O-CB 3.29Å; D211-S214 PolarHBondContact O-N 3.15Å; D211-Y217 WeakPolarHBondContact O-CD2 3.45Å; D211-Y217 WeakPolarHBondContact OD1-CE2 3.39Å | ||
| 212 | F | 97.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.6 | -170.5 | -53.1 | -63.4 | 0 | 0 | 0 | 114.2 | Y210 S214 Y217 P249 V251 L252 K257 Y261 | Y210-F212 HydrophobicContact CD1-CE2 4.04Å; Y210-F212 AromaticContact CD1-CZ 3.93Å; Y210-F212 HydrophobicContact CD1-CZ 3.93Å; Y210-F212 WeakPolarHBondContact O-CD2 3.12Å; Y210-F212 PolarHBondContact O-N 2.96Å; F212-S214 VanDerWaalsContact C-N 3.28Å; F212-S214 PolarHBondContact O-N 2.79Å; F212-Y217 HydrophobicContact CD1-CE1 4.18Å; F212-Y217 AromaticContact CD1-CE2 3.85Å; F212-Y217 HydrophobicContact CD1-CE2 3.85Å; F212-Y217 AromaticContact CD1-CZ 3.57Å; F212-Y217 WeakPolarHBondContact CD1-OH 3.41Å; F212-Y217 HydrophobicContact CE1-CE2 4.37Å; F212-Y217 AromaticContact CE1-CZ 3.89Å; F212-Y217 VanDerWaalsContact CE1-OH 3.28Å; F212-Y217 WeakPolarHBondContact CE1-OH 3.19Å; F212-P249 HydrophobicContact CE2-CB 4.19Å; F212-P249 HydrophobicContact CE2-CG 3.82Å; F212-P249 HydrophobicContact CZ-CG 3.92Å; F212-V251 HydrophobicContact CB-CG1 4.31Å; F212-V251 HydrophobicContact CD2-CG1 3.39Å; F212-V251 HydrophobicContact CE2-CG1 3.92Å; F212-V251 HydrophobicContact CG-CG1 4.05Å; F212-L252 HydrophobicContact CD1-CD2 3.54Å; F212-L252 HydrophobicContact CD1-CG 4.15Å; F212-L252 HydrophobicContact CE1-CD1 3.94Å; F212-L252 HydrophobicContact CE1-CD2 3.64Å; F212-L252 HydrophobicContact CE1-CG 3.9Å; F212-L252 HydrophobicContact CG-CD2 4.23Å; F212-L252 HydrophobicContact CZ-CD1 4.13Å; F212-L252 HydrophobicContact CZ-CD2 4.4Å; F212-L252 HydrophobicContact CZ-CG 4.18Å; F212-K257 PolarHBondContact O-NZ 3.44Å; F212-Y261 AromaticContact CE1-CD2 3.51Å; F212-Y261 HydrophobicContact CE1-CD2 3.51Å; F212-Y261 HydrophobicContact CE1-CE2 4.11Å; F212-Y261 AromaticContact CE1-CG 3.97Å; F212-Y261 HydrophobicContact CE1-CG 3.97Å; F212-Y261 AromaticContact CZ-CD2 3.71Å; F212-Y261 HydrophobicContact CZ-CD2 3.71Å; F212-Y261 AromaticContact CZ-CE2 3.8Å; F212-Y261 HydrophobicContact CZ-CE2 3.8Å; F212-Y261 HydrophobicContact CZ-CG 4.37Å |
| 213 | L | 95.4 | Very high | 96.9 | Very high | 153 Ų | 153 | 50.5 Ų | 50.5 | 80% | 0.801 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -6.2 | -179.4 | -56.4 | -177.3 | 0 | 0 | 0 | 113.3 | D211 V251 | D211-L213 PolarHBondContact O-N 3.05Å; L213-V251 HydrophobicContact CD2-CG2 4.22Å |
| 214 | S | 95.5 | Very high | 96.7 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | trans | -64.1 | 131 | 174.9 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | D211 F212 N216 Y217 | D211-S214 WeakPolarHBondContact O-CB 3.29Å; D211-S214 PolarHBondContact O-N 3.15Å; F212-S214 VanDerWaalsContact C-N 3.28Å; F212-S214 PolarHBondContact O-N 2.79Å; S214-N216 PolarHBondContact O-N 2.89Å; S214-Y217 WeakPolarHBondContact O-CB 3.21Å; S214-Y217 PolarHBondContact O-N 2.97Å | ||
| 215 | P | 94.6 | Very high | 96.7 | Very high | 130 Ų | 130 | 51.5 Ų | 51.5 | 84% | 0.844 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -32.2 | 174.9 | -25.8 | 34.7 | 0 | 0 | 0 | 113.1 | ||
| 216 | N | 95.4 | Very high | 96.6 | Very high | 140 Ų | 140 | 55.5 Ų | 55.5 | 75% | 0.749 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 36.6 | 179.8 | -68.2 | -22.5 | 0 | 0 | 0 | 111.6 | S214 T218 | S214-N216 PolarHBondContact O-N 2.89Å; N216-T218 PolarHBondContact O-N 3.23Å; N216-T218 VanDerWaalsContact O-N 3.12Å |
| 217 | Y | 97.8 | Very high | 96.6 | Very high | 17 Ų | 17 | 57 Ų | 57 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | trans | -60.3 | 116.2 | 178 | -175.6 | -105.6 | 0 | 0 | 0 | 110.7 | N209 D211 F212 S214 K257 M260 Y261 | N209-Y217 WeakPolarHBondContact O-CE2 3.48Å; N209-Y217 PolarHBondContact O-OH 3.28Å; D211-Y217 WeakPolarHBondContact O-CD2 3.45Å; D211-Y217 WeakPolarHBondContact OD1-CE2 3.39Å; F212-Y217 HydrophobicContact CD1-CE1 4.18Å; F212-Y217 AromaticContact CD1-CE2 3.85Å; F212-Y217 HydrophobicContact CD1-CE2 3.85Å; F212-Y217 AromaticContact CD1-CZ 3.57Å; F212-Y217 WeakPolarHBondContact CD1-OH 3.41Å; F212-Y217 HydrophobicContact CE1-CE2 4.37Å; F212-Y217 AromaticContact CE1-CZ 3.89Å; F212-Y217 VanDerWaalsContact CE1-OH 3.28Å; F212-Y217 WeakPolarHBondContact CE1-OH 3.19Å; S214-Y217 WeakPolarHBondContact O-CB 3.21Å; S214-Y217 PolarHBondContact O-N 2.97Å; Y217-K257 HydrophobicContact CD1-CB 3.93Å; Y217-K257 HydrophobicContact CD1-CD 3.83Å; Y217-K257 HydrophobicContact CD1-CG 3.9Å; Y217-K257 HydrophobicContact CE1-CB 3.86Å; Y217-K257 HydrophobicContact CE1-CD 4.45Å; Y217-K257 HydrophobicContact CE1-CG 4.35Å; Y217-K257 HydrophobicContact CG-CD 4.31Å; Y217-M260 HydrophobicContact CE1-CB 4.42Å; Y217-Y261 WeakPolarHBondContact OH-CB 3.35Å | ||
| 218 | T | 97.5 | Very high | 96.6 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 34% | 0.344 | 34% | 0.335 | S | S | . | . | trans | -108.4 | -5.1 | 177.8 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | N216 Q220 M260 H264 | N216-T218 PolarHBondContact O-N 3.23Å; N216-T218 VanDerWaalsContact O-N 3.12Å; T218-Q220 PolarHBondContact O-N 2.78Å; T218-Q220 VanDerWaalsContact O-N 3.15Å; T218-Q220 WeakPolarHBondContact OG1-CB 3.31Å; T218-Q220 WeakPolarHBondContact OG1-CG 3.46Å; T218-Q220 PolarHBondContact OG1-N 3.25Å; T218-M260 WeakPolarHBondContact O-CE 3.38Å; T218-H264 PolarHBondContact O-CE1 2.75Å; T218-H264 PolarHBondContact O-ND1 3.15Å | ||
| 219 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | 69 | -5.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N209 H264 | N209-G219 WeakPolarHBondContact CB-O 3.13Å; N209-G219 PolarHBondContact ND2-O 2.88Å; G219-H264 VanDerWaalsContact C-CG 3.46Å; G219-H264 VanDerWaalsContact C-ND1 3.32Å; G219-H264 WeakPolarHBondContact O-CB 3.37Å; G219-H264 PolarHBondContact O-ND1 3.14Å | ||
| 220 | Q | 98.1 | Very high | 96.6 | Very high | 102 Ų | 102 | 61.6 Ų | 61.6 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 139.2 | -179 | -70.9 | 177.8 | 10.6 | 0 | 0 | 112 | T218 P222 H264 | T218-Q220 PolarHBondContact O-N 2.78Å; T218-Q220 VanDerWaalsContact O-N 3.15Å; T218-Q220 WeakPolarHBondContact OG1-CB 3.31Å; T218-Q220 WeakPolarHBondContact OG1-CG 3.46Å; T218-Q220 PolarHBondContact OG1-N 3.25Å; Q220-P222 WeakPolarHBondContact O-CD 3.5Å; Q220-H264 VanDerWaalsContact CG-NE2 3.26Å; Q220-H264 WeakPolarHBondContact CG-NE2 3.45Å |
| 221 | C | 98.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.034 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 125.3 | 167.7 | -40.3 | 0 | 0 | 0 | 0 | 108.5 | C207 R226 | C207-C221 HydrophobicContact CB-CB 4.02Å; C207-C221 WeakPolarHBondContact CB-SG 3.37Å; C207-C221 WeakPolarHBondContact O-CA 3.21Å; C207-C221 VanDerWaalsContact O-CB 3.3Å; C207-C221 WeakPolarHBondContact O-CB 3.14Å; C207-C221 WeakPolarHBondContact SG-CA 3.44Å; C207-C221 WeakPolarHBondContact SG-CB 3.42Å; C207-C221 PolarHBondContact SG-N 2.84Å; C207-C221 CovalentContact SG-SG 2.02Å; C207-C221 PolarHBondContact SG-SG 2.86Å; C221-R226 HydrophobicContact CB-CG 3.82Å; C221-R226 PolarHBondContact O-NH1 3.1Å; C221-R226 VanDerWaalsContact O-NH1 3.08Å |
| 222 | P | 95.6 | Very high | 96.7 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 147.2 | 178.5 | -23.6 | 30.2 | 0 | 0 | 0 | 111.6 | C207 Q220 G224 I225 R226 | C207-P222 WeakPolarHBondContact O-CD 3.48Å; Q220-P222 WeakPolarHBondContact O-CD 3.5Å; P222-G224 VanDerWaalsContact C-N 3.31Å; P222-G224 PolarHBondContact O-N 2.79Å; P222-I225 HydrophobicContact CB-CG1 3.91Å; P222-I225 HydrophobicContact CG-CG1 4.04Å; P222-I225 WeakPolarHBondContact O-CA 3.49Å; P222-I225 VanDerWaalsContact O-CB 3.23Å; P222-I225 WeakPolarHBondContact O-CB 3.44Å; P222-I225 PolarHBondContact O-N 3.11Å; P222-R226 PolarHBondContact O-N 3.39Å |
| 223 | S | 86.4 | Confident | 96.8 | Very high | 97 Ų | 97 | 60.1 Ų | 60.1 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57 | -41.1 | -169.7 | 56 | 0 | 0 | 0 | 0 | 113.6 | I225 R226 A227 | S223-I225 PolarHBondContact O-N 3.09Å; S223-R226 PolarHBondContact O-N 2.93Å; S223-A227 PolarHBondContact O-N 3.18Å |
| 224 | G | 95.1 | Very high | 96.9 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.3 | -31.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P222 Q228 | P222-G224 VanDerWaalsContact C-N 3.31Å; P222-G224 PolarHBondContact O-N 2.79Å; G224-Q228 WeakPolarHBondContact O-CG 3.37Å; G224-Q228 PolarHBondContact O-N 2.93Å; G224-Q228 VanDerWaalsContact O-N 3.13Å |
| 225 | I | 98.2 | Very high | 97.1 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.3 | -48.8 | 179.4 | -57.4 | -58.6 | 0 | 0 | 0 | 111.1 | F139 W141 C207 Y208 P222 S223 A227 Q228 N229 | F139-I225 HydrophobicContact CD1-CD1 4.34Å; F139-I225 HydrophobicContact CE1-CD1 3.51Å; F139-I225 HydrophobicContact CZ-CD1 4.14Å; F139-I225 HydrophobicContact CZ-CG2 4.14Å; W141-I225 HydrophobicContact CH2-CD1 3.91Å; C207-I225 WeakPolarHBondContact O-CG2 3.33Å; Y208-I225 HydrophobicContact CD2-CD1 3.82Å; Y208-I225 HydrophobicContact CD2-CG1 4.36Å; Y208-I225 HydrophobicContact CD2-CG2 3.66Å; Y208-I225 HydrophobicContact CG-CD1 4.11Å; Y208-I225 HydrophobicContact CG-CG2 4.5Å; P222-I225 HydrophobicContact CB-CG1 3.91Å; P222-I225 HydrophobicContact CG-CG1 4.04Å; P222-I225 WeakPolarHBondContact O-CA 3.49Å; P222-I225 VanDerWaalsContact O-CB 3.23Å; P222-I225 WeakPolarHBondContact O-CB 3.44Å; P222-I225 PolarHBondContact O-N 3.11Å; S223-I225 PolarHBondContact O-N 3.09Å; I225-A227 VanDerWaalsContact C-N 3.28Å; I225-A227 PolarHBondContact O-N 3.06Å; I225-Q228 WeakPolarHBondContact O-CB 3.33Å; I225-Q228 PolarHBondContact O-N 3.47Å; I225-N229 PolarHBondContact O-N 2.82Å |
| 226 | R | 97.7 | Very high | 97.3 | Very high | 86 Ų | 86 | 46.9 Ų | 46.9 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 178.6 | -65.1 | -165.9 | -61.7 | -109.4 | 3.3 | 111.3 | C221 P222 S223 Q228 N229 D230 R271 | C221-R226 HydrophobicContact CB-CG 3.82Å; C221-R226 PolarHBondContact O-NH1 3.1Å; C221-R226 VanDerWaalsContact O-NH1 3.08Å; P222-R226 PolarHBondContact O-N 3.39Å; S223-R226 PolarHBondContact O-N 2.93Å; R226-Q228 VanDerWaalsContact C-N 3.29Å; R226-Q228 PolarHBondContact O-N 3.43Å; R226-N229 CarbonylContact O-C 3.41Å; R226-N229 WeakPolarHBondContact O-CB 3.42Å; R226-N229 PolarHBondContact O-N 3.23Å; R226-N229 VanDerWaalsContact O-N 3.13Å; R226-D230 PolarHBondContact O-N 3.46Å; R226-R271 PolarHBondContact O-NH2 2.8Å |
| 227 | A | 97.9 | Very high | 97.4 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | S223 I225 D230 Q231 | S223-A227 PolarHBondContact O-N 3.18Å; I225-A227 VanDerWaalsContact C-N 3.28Å; I225-A227 PolarHBondContact O-N 3.06Å; A227-D230 PolarHBondContact O-N 2.85Å; A227-Q231 WeakPolarHBondContact O-CG 3.47Å; A227-Q231 PolarHBondContact O-N 2.04Å |
| 228 | Q | 98.5 | Very high | 97.4 | Very high | 47 Ų | 47 | 43.1 Ų | 43.1 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.2 | -36.9 | 174.7 | -63.7 | -72.9 | -41.8 | 0 | 0 | 112 | R136 A138 F139 G224 I225 R226 D230 Q231 | R136-Q228 HydrophobicContact CG-CB 4.4Å; A138-Q228 HydrophobicContact CB-CG 4.4Å; F139-Q228 HydrophobicContact CE1-CB 3.77Å; F139-Q228 HydrophobicContact CE1-CG 3.87Å; F139-Q228 HydrophobicContact CE2-CB 3.91Å; F139-Q228 HydrophobicContact CZ-CB 3.26Å; F139-Q228 HydrophobicContact CZ-CG 3.91Å; G224-Q228 WeakPolarHBondContact O-CG 3.37Å; G224-Q228 PolarHBondContact O-N 2.93Å; G224-Q228 VanDerWaalsContact O-N 3.13Å; I225-Q228 WeakPolarHBondContact O-CB 3.33Å; I225-Q228 PolarHBondContact O-N 3.47Å; R226-Q228 VanDerWaalsContact C-N 3.29Å; R226-Q228 PolarHBondContact O-N 3.43Å; Q228-D230 VanDerWaalsContact C-N 3.29Å; Q228-D230 PolarHBondContact O-N 3.34Å; Q228-Q231 WeakPolarHBondContact O-CB 3.43Å; Q228-Q231 PolarHBondContact O-N 3.5Å |
| 229 | N | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -33 | 173.2 | -74.6 | -16.2 | 0 | 0 | 0 | 111.8 | D206 I225 R226 Q231 L232 W236 E268 V272 | D206-N229 PolarHBondContact O-ND2 3.11Å; I225-N229 PolarHBondContact O-N 2.82Å; R226-N229 CarbonylContact O-C 3.41Å; R226-N229 WeakPolarHBondContact O-CB 3.42Å; R226-N229 PolarHBondContact O-N 3.23Å; R226-N229 VanDerWaalsContact O-N 3.13Å; N229-Q231 VanDerWaalsContact C-N 3.27Å; N229-Q231 PolarHBondContact O-N 2.92Å; N229-L232 WeakPolarHBondContact O-CA 3.44Å; N229-L232 WeakPolarHBondContact O-CB 3.48Å; N229-L232 PolarHBondContact O-N 2.04Å; N229-W236 HydrophobicContact CB-CZ2 4.32Å; N229-W236 PolarHBondContact O-NE1 3.12Å; N229-E268 WeakPolarHBondContact CB-OE1 3.19Å; N229-E268 PolarHBondContact ND2-OE1 3Å; N229-V272 HydrophobicContact CB-CG1 4.09Å |
| 230 | D | 98.3 | Very high | 97.5 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 40% | 0.401 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.9 | -34.4 | 173.4 | -62.2 | -21.9 | 0 | 0 | 0 | 111.5 | R226 A227 Q228 L232 G233 R271 | R226-D230 PolarHBondContact O-N 3.46Å; A227-D230 PolarHBondContact O-N 2.85Å; Q228-D230 VanDerWaalsContact C-N 3.29Å; Q228-D230 PolarHBondContact O-N 3.34Å; D230-L232 PolarHBondContact O-N 3.03Å; D230-G233 PolarHBondContact O-N 3.06Å; D230-G233 VanDerWaalsContact O-N 3.16Å; D230-R271 IonicContact OD1-CZ 3.05Å; D230-R271 VanDerWaalsContact OD1-CZ 3.24Å; D230-R271 IonicContact OD1-NH1 2.95Å; D230-R271 PolarHBondContact OD1-NH1 3.17Å; D230-R271 IonicContact OD1-NH2 2.67Å; D230-R271 PolarHBondContact OD1-NH2 3.11Å; D230-R271 IonicContact OD2-NH1 2.87Å |
| 231 | Q | 98.5 | Very high | 97.5 | Very high | 114 Ų | 114 | 37.6 Ų | 37.6 | 53% | 0.533 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.8 | 173.9 | -56.9 | -60 | -58.7 | 0 | 0 | 113.7 | R136 A227 Q228 N229 W234 | R136-Q231 VanDerWaalsContact CZ-CB 3.46Å; A227-Q231 WeakPolarHBondContact O-CG 3.47Å; A227-Q231 PolarHBondContact O-N 2.04Å; Q228-Q231 WeakPolarHBondContact O-CB 3.43Å; Q228-Q231 PolarHBondContact O-N 3.5Å; N229-Q231 VanDerWaalsContact C-N 3.27Å; N229-Q231 PolarHBondContact O-N 2.92Å; Q231-W234 VanDerWaalsContact O-CD1 3.31Å; Q231-W234 PolarHBondContact O-NE1 3.35Å |
| 232 | L | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 17.8 | 173.3 | -63.5 | 177.8 | 0 | 0 | 0 | 112.5 | P135 R136 F204 N229 D230 W234 L235 W236 | P135-L232 HydrophobicContact CB-CD2 4.09Å; P135-L232 HydrophobicContact CG-CD1 4.28Å; P135-L232 HydrophobicContact CG-CD2 3.81Å; R136-L232 HydrophobicContact CG-CD1 3.94Å; R136-L232 HydrophobicContact CG-CD2 3.85Å; R136-L232 HydrophobicContact CG-CG 3.87Å; F204-L232 HydrophobicContact CE1-CD1 4.48Å; N229-L232 WeakPolarHBondContact O-CA 3.44Å; N229-L232 WeakPolarHBondContact O-CB 3.48Å; N229-L232 PolarHBondContact O-N 2.04Å; D230-L232 PolarHBondContact O-N 3.03Å; L232-W234 HydrophobicContact CD2-CH2 4.49Å; L232-W234 HydrophobicContact CD2-CZ2 3.54Å; L232-W234 PolarHBondContact O-N 3.16Å; L232-L235 HydrophobicContact CB-CB 4.25Å; L232-L235 HydrophobicContact CD1-CD2 4.5Å; L232-L235 WeakPolarHBondContact O-CA 3.43Å; L232-L235 VanDerWaalsContact O-CB 3.26Å; L232-L235 WeakPolarHBondContact O-CB 3.24Å; L232-L235 PolarHBondContact O-N 3.39Å; L232-W236 VanDerWaalsContact C-NE1 3.34Å; L232-W236 HydrophobicContact CB-CH2 4.32Å; L232-W236 HydrophobicContact CB-CZ2 3.51Å; L232-W236 HydrophobicContact CD1-CH2 4.18Å; L232-W236 HydrophobicContact CD1-CZ2 3.9Å; L232-W236 HydrophobicContact CG-CZ2 4.35Å; L232-W236 VanDerWaalsContact O-CD1 3.24Å; L232-W236 PolarHBondContact O-N 2.92Å; L232-W236 PolarHBondContact O-NE1 2.86Å |
| 233 | G | 98.5 | Very high | 97.7 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -47.7 | -35.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D230 L235 W236 G237 | D230-G233 PolarHBondContact O-N 3.06Å; D230-G233 VanDerWaalsContact O-N 3.16Å; G233-L235 VanDerWaalsContact C-N 3.29Å; G233-L235 PolarHBondContact O-N 3.03Å; G233-W236 VanDerWaalsContact CA-CD1 3.5Å; G233-W236 PolarHBondContact O-N 3.2Å; G233-G237 PolarHBondContact O-N 3.05Å |
| 234 | W | 98.6 | Very high | 98.3 | Very high | 40 Ų | 40 | 30.2 Ų | 30.2 | 15% | 0.152 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -28.9 | 174.9 | 63.5 | -97.1 | 0 | 0 | 0 | 113.7 | P135 R180 M183 A184 Q231 L232 Q238 | P135-W234 HydrophobicContact CB-CH2 4.08Å; P135-W234 HydrophobicContact CB-CZ2 3.9Å; P135-W234 HydrophobicContact CG-CZ2 4.49Å; R180-W234 HydrophobicContact CB-CD2 4.34Å; R180-W234 HydrophobicContact CB-CH2 4.11Å; R180-W234 HydrophobicContact CB-CZ2 3.82Å; R180-W234 HydrophobicContact CB-CZ3 4.45Å; R180-W234 HydrophobicContact CG-CD2 3.61Å; R180-W234 HydrophobicContact CG-CE3 3.83Å; R180-W234 HydrophobicContact CG-CG 4.1Å; R180-W234 HydrophobicContact CG-CH2 4.27Å; R180-W234 HydrophobicContact CG-CZ2 4.04Å; R180-W234 HydrophobicContact CG-CZ3 4.16Å; M183-W234 HydrophobicContact CB-CH2 3.88Å; M183-W234 HydrophobicContact CB-CZ3 3.87Å; M183-W234 HydrophobicContact SD-CH2 4.21Å; A184-W234 HydrophobicContact CB-CE3 3.84Å; A184-W234 HydrophobicContact CB-CZ3 3.97Å; Q231-W234 VanDerWaalsContact O-CD1 3.31Å; Q231-W234 PolarHBondContact O-NE1 3.35Å; L232-W234 HydrophobicContact CD2-CH2 4.49Å; L232-W234 HydrophobicContact CD2-CZ2 3.54Å; L232-W234 PolarHBondContact O-N 3.16Å; W234-Q238 WeakPolarHBondContact O-CG 3.41Å; W234-Q238 PolarHBondContact O-N 2.79Å |
| 235 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -76.7 | -49.6 | 177.3 | -178.2 | 61.5 | 0 | 0 | 0 | 109.2 | M183 L187 F201 F204 L232 G233 G237 Q238 S239 | M183-L235 HydrophobicContact CB-CD1 4.42Å; M183-L235 HydrophobicContact CE-CD1 3.99Å; M183-L235 HydrophobicContact CE-CD2 4.07Å; L187-L235 HydrophobicContact CD1-CD1 3.75Å; F201-L235 HydrophobicContact CD2-CD1 3.8Å; F201-L235 HydrophobicContact CE2-CD1 3.97Å; F204-L235 HydrophobicContact CB-CD2 4.43Å; F204-L235 HydrophobicContact CD1-CD2 3.7Å; F204-L235 HydrophobicContact CE1-CD2 4.2Å; F204-L235 HydrophobicContact CG-CD2 4.13Å; L232-L235 HydrophobicContact CB-CB 4.25Å; L232-L235 HydrophobicContact CD1-CD2 4.5Å; L232-L235 WeakPolarHBondContact O-CA 3.43Å; L232-L235 VanDerWaalsContact O-CB 3.26Å; L232-L235 WeakPolarHBondContact O-CB 3.24Å; L232-L235 PolarHBondContact O-N 3.39Å; G233-L235 VanDerWaalsContact C-N 3.29Å; G233-L235 PolarHBondContact O-N 3.03Å; L235-G237 VanDerWaalsContact C-N 3.33Å; L235-G237 PolarHBondContact O-N 3.47Å; L235-Q238 PolarHBondContact O-N 3.31Å; L235-S239 PolarHBondContact O-N 3.45Å; L235-S239 PolarHBondContact O-OG 2.89Å |
| 236 | W | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 2% | 0.023 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.9 | -44.1 | 178.9 | -42.2 | 140.4 | 0 | 0 | 0 | 111.8 | F204 P205 N229 L232 G233 Q238 S239 L242 V272 A276 | F204-W236 HydrophobicContact CB-CH2 4.24Å; F204-W236 HydrophobicContact CB-CZ3 3.95Å; F204-W236 HydrophobicContact CD1-CH2 4.2Å; P205-W236 HydrophobicContact CB-CH2 3.61Å; P205-W236 HydrophobicContact CB-CZ2 4.1Å; P205-W236 HydrophobicContact CB-CZ3 4.27Å; P205-W236 HydrophobicContact CG-CH2 4.46Å; N229-W236 HydrophobicContact CB-CZ2 4.32Å; N229-W236 PolarHBondContact O-NE1 3.12Å; L232-W236 VanDerWaalsContact C-NE1 3.34Å; L232-W236 HydrophobicContact CB-CH2 4.32Å; L232-W236 HydrophobicContact CB-CZ2 3.51Å; L232-W236 HydrophobicContact CD1-CH2 4.18Å; L232-W236 HydrophobicContact CD1-CZ2 3.9Å; L232-W236 HydrophobicContact CG-CZ2 4.35Å; L232-W236 VanDerWaalsContact O-CD1 3.24Å; L232-W236 PolarHBondContact O-N 2.92Å; L232-W236 PolarHBondContact O-NE1 2.86Å; G233-W236 VanDerWaalsContact CA-CD1 3.5Å; G233-W236 PolarHBondContact O-N 3.2Å; W236-Q238 VanDerWaalsContact C-N 3.26Å; W236-Q238 PolarHBondContact O-N 3.39Å; W236-S239 PolarHBondContact O-N 3.32Å; W236-L242 HydrophobicContact CE3-CD2 3.76Å; W236-L242 HydrophobicContact CZ3-CD2 4.11Å; W236-V272 HydrophobicContact CD2-CB 4.08Å; W236-V272 HydrophobicContact CD2-CG2 3.9Å; W236-V272 HydrophobicContact CE3-CG2 4.19Å; W236-V272 HydrophobicContact CG-CB 4.08Å; W236-V272 HydrophobicContact CG-CG2 4.24Å; W236-V272 HydrophobicContact CZ2-CB 4.44Å; W236-V272 HydrophobicContact CZ2-CG1 4.3Å; W236-V272 HydrophobicContact CZ2-CG2 4.36Å; W236-A276 HydrophobicContact CB-CB 3.53Å; W236-A276 HydrophobicContact CG-CB 4.42Å |
| 237 | G | 97.5 | Very high | 98.5 | Very high | 43 Ų | 43 | 24.9 Ų | 24.9 | 44% | 0.443 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R191 G233 L235 | R191-G237 PolarHBondContact NH1-O 2.86Å; G233-G237 PolarHBondContact O-N 3.05Å; L235-G237 VanDerWaalsContact C-N 3.33Å; L235-G237 PolarHBondContact O-N 3.47Å |
| 238 | Q | 98.3 | Very high | 98.6 | Very high | 35 Ų | 35 | 22.7 Ų | 22.7 | 16% | 0.164 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -24.9 | 173.2 | -68.9 | -71.2 | 10.1 | 0 | 0 | 112.5 | A184 L187 R191 W234 L235 W236 | A184-Q238 HydrophobicContact CB-CG 4.23Å; L187-Q238 HydrophobicContact CB-CB 4.16Å; L187-Q238 HydrophobicContact CD1-CB 4.01Å; R191-Q238 WeakPolarHBondContact CD-O 3.42Å; R191-Q238 PolarHBondContact NH1-O 3.35Å; W234-Q238 WeakPolarHBondContact O-CG 3.41Å; W234-Q238 PolarHBondContact O-N 2.79Å; L235-Q238 PolarHBondContact O-N 3.31Å; W236-Q238 VanDerWaalsContact C-N 3.26Å; W236-Q238 PolarHBondContact O-N 3.39Å |
| 239 | S | 98.6 | Very high | 98.6 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | trans | -66.3 | 157.5 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 113.5 | L235 W236 | L235-S239 PolarHBondContact O-N 3.45Å; L235-S239 PolarHBondContact O-OG 2.89Å; W236-S239 PolarHBondContact O-N 3.32Å | ||
| 240 | R | 98.3 | Very high | 98.5 | Very high | 40 Ų | 40 | 23.7 Ų | 23.7 | 15% | 0.151 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -125.5 | -3.6 | 169.2 | -68.1 | -69.3 | 177.7 | -96.2 | 10.7 | 112.5 | A19 R191 W199 L281 P282 | A19-R240 PolarHBondContact O-NH2 3.31Å; R191-R240 HydrophobicContact CG-CG 4.05Å; W199-R240 PolarHBondContact O-N 3.38Å; R240-L281 VanDerWaalsContact C-CD1 3.4Å; R240-P282 WeakPolarHBondContact O-CD 3.32Å |
| 241 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -155.7 | 161.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L198 W199 Y243 P282 L284 | L198-A241 HydrophobicContact CB-CB 3.85Å; W199-A241 PolarHBondContact O-N 2.94Å; W199-A241 VanDerWaalsContact O-N 3.14Å; A241-Y243 HydrophobicContact CB-CE1 4.27Å; A241-Y243 HydrophobicContact CB-CE2 3.92Å; A241-P282 CarbonylContact C-O 3.52Å; A241-P282 WeakPolarHBondContact CA-O 3.42Å; A241-P282 HydrophobicContact CB-CB 4.18Å; A241-P282 WeakPolarHBondContact CB-O 3.28Å; A241-L284 HydrophobicContact CB-CD1 4.05Å |
| 242 | L | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -113.3 | 137.7 | 172.2 | -60.4 | 178.9 | 0 | 0 | 0 | 110 | W236 P244 A269 V272 A273 L281 P282 V283 L284 | W236-L242 HydrophobicContact CE3-CD2 3.76Å; W236-L242 HydrophobicContact CZ3-CD2 4.11Å; L242-P244 VanDerWaalsContact C-CD 3.4Å; L242-P244 WeakPolarHBondContact O-CD 3.27Å; L242-A269 HydrophobicContact CB-CB 4.49Å; L242-A269 HydrophobicContact CD1-CB 4.13Å; L242-A269 WeakPolarHBondContact CD1-O 3.28Å; L242-V272 HydrophobicContact CD1-CG2 3.83Å; L242-A273 HydrophobicContact CD1-CB 4.14Å; L242-L281 HydrophobicContact CD1-CD2 3.87Å; L242-L281 HydrophobicContact CD2-CD2 3.91Å; L242-L281 HydrophobicContact CG-CD2 3.59Å; L242-L281 HydrophobicContact CG-CG 4.22Å; L242-P282 PolarHBondContact N-O 2.93Å; L242-V283 HydrophobicContact CB-CG2 4.42Å; L242-V283 HydrophobicContact CD1-CG2 4.44Å; L242-L284 PolarHBondContact O-N 3.44Å |
| 243 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -124.5 | 60.8 | -174.9 | -59.9 | -70.7 | 0 | 0 | 0 | 111 | L125 V127 L198 G203 F204 A241 S245 L284 Y286 | L125-Y243 HydrophobicContact CD2-CE1 3.88Å; L125-Y243 HydrophobicContact CG-CE1 4.02Å; L125-Y243 WeakPolarHBondContact CG-OH 3.39Å; V127-Y243 HydrophobicContact CG1-CD2 4.24Å; V127-Y243 HydrophobicContact CG1-CG 4.44Å; V127-Y243 HydrophobicContact CG2-CD1 4.21Å; V127-Y243 HydrophobicContact CG2-CD2 4.18Å; V127-Y243 HydrophobicContact CG2-CE1 3.89Å; V127-Y243 HydrophobicContact CG2-CE2 3.85Å; V127-Y243 HydrophobicContact CG2-CG 4.35Å; L198-Y243 PolarHBondContact O-OH 3.32Å; G203-Y243 WeakPolarHBondContact CA-O 3.39Å; G203-Y243 PolarHBondContact N-O 2.85Å; F204-Y243 PolarHBondContact O-N 3.46Å; A241-Y243 HydrophobicContact CB-CE1 4.27Å; A241-Y243 HydrophobicContact CB-CE2 3.92Å; Y243-S245 PolarHBondContact O-N 3.23Å; Y243-L284 HydrophobicContact CD1-CB 3.91Å; Y243-L284 WeakPolarHBondContact CD1-O 3.3Å; Y243-L284 HydrophobicContact CE1-CB 3.89Å; Y243-L284 HydrophobicContact CE1-CD1 4.2Å; Y243-L284 HydrophobicContact CE1-CG 4.45Å; Y243-Y286 HydrophobicContact CD1-CD2 4.39Å; Y243-Y286 AromaticContact CD1-CE2 3.95Å; Y243-Y286 HydrophobicContact CD1-CE2 3.95Å; Y243-Y286 HydrophobicContact CG-CE2 4.22Å |
| 244 | P | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -63 | 133.7 | 178.8 | 29.8 | -35.8 | 0 | 0 | 0 | 109.5 | L242 A269 V283 P285 Y286 | L242-P244 VanDerWaalsContact C-CD 3.4Å; L242-P244 WeakPolarHBondContact O-CD 3.27Å; P244-A269 HydrophobicContact CB-CB 4.47Å; P244-A269 HydrophobicContact CG-CB 3.93Å; P244-V283 HydrophobicContact CG-CG1 4.11Å; P244-P285 HydrophobicContact CG-CB 4.16Å; P244-P285 HydrophobicContact CG-CG 4.13Å; P244-P285 CarbonylContact O-C 3.33Å; P244-P285 WeakPolarHBondContact O-CA 3.1Å; P244-Y286 PolarHBondContact O-N 3.47Å | ||
| 245 | S | 98.8 | Very high | 98.2 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 130.9 | 170.7 | 177 | 0 | 0 | 0 | 0 | 109.1 | Y202 Y243 Y247 R265 | Y202-S245 PolarHBondContact OH-OG 2.9Å; Y243-S245 PolarHBondContact O-N 3.23Å; S245-Y247 VanDerWaalsContact OG-CG 3.31Å; S245-R265 PolarHBondContact O-NE 3.42Å; S245-R265 PolarHBondContact O-NH2 3.34Å |
| 246 | I | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | trans | -121.9 | 28.7 | 173.6 | 59 | 166.8 | 0 | 0 | 0 | 110.8 | M248 V262 R265 V266 P285 Y286 V287 S310 | I246-M248 PolarHBondContact O-N 3.15Å; I246-V262 HydrophobicContact CB-CG1 4.3Å; I246-V262 HydrophobicContact CB-CG2 4.33Å; I246-V262 HydrophobicContact CD1-CG1 3.58Å; I246-V262 HydrophobicContact CD1-CG2 4.48Å; I246-V262 HydrophobicContact CG2-CG1 4.3Å; I246-R265 HydrophobicContact CG2-CB 3.69Å; I246-V266 HydrophobicContact CG2-CG2 4.26Å; I246-P285 HydrophobicContact CD1-CB 3.68Å; I246-P285 HydrophobicContact CG1-CB 3.81Å; I246-P285 HydrophobicContact CG2-CB 4.27Å; I246-Y286 WeakPolarHBondContact CG1-O 3.47Å; I246-Y286 PolarHBondContact N-O 3.14Å; I246-V287 HydrophobicContact CD1-CG1 3.37Å; I246-V287 HydrophobicContact CG1-CG1 3.51Å; I246-S310 WeakPolarHBondContact CD1-OG 3.35Å | ||
| 247 | Y | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | trans | -54.9 | 131.2 | 171.6 | -61.5 | -8.9 | 0 | 0 | 0 | 109.4 | Y202 S245 P249 Y261 Y286 Q288 W321 | Y202-Y247 WeakPolarHBondContact OH-CE2 2.99Å; S245-Y247 VanDerWaalsContact OG-CG 3.31Å; Y247-P249 VanDerWaalsContact O-CD 3.3Å; Y247-P249 WeakPolarHBondContact O-CD 2.9Å; Y247-Y261 WeakPolarHBondContact O-CE1 3.02Å; Y247-Y261 PolarHBondContact O-OH 3.43Å; Y247-Y286 WeakPolarHBondContact CD1-O 3.34Å; Y247-Y286 WeakPolarHBondContact OH-CD1 3.4Å; Y247-Q288 HydrophobicContact CD1-CB 4.26Å; Y247-Q288 HydrophobicContact CD1-CG 3.74Å; Y247-Q288 HydrophobicContact CD2-CG 4.31Å; Y247-Q288 HydrophobicContact CE1-CG 3.74Å; Y247-Q288 HydrophobicContact CE2-CG 4.3Å; Y247-Q288 HydrophobicContact CG-CG 4.05Å; Y247-Q288 VanDerWaalsContact CG-NE2 3.32Å; Y247-W321 HydrophobicContact CE1-CB 4.49Å; Y247-W321 HydrophobicContact CE1-CE3 4.43Å; Y247-W321 AromaticContact CE2-CE3 3.77Å; Y247-W321 HydrophobicContact CE2-CE3 3.77Å; Y247-W321 AromaticContact CE2-CZ3 4Å; Y247-W321 HydrophobicContact CE2-CZ3 4Å; Y247-W321 AromaticContact CZ-CE3 3.57Å; Y247-W321 VanDerWaalsContact OH-CB 3.26Å; Y247-W321 WeakPolarHBondContact OH-CB 3.36Å | ||
| 248 | M | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | trans | -93 | 111.4 | -174.1 | -71.3 | 170.5 | 48.7 | 0 | 0 | 109.2 | I246 L252 S258 Y261 Y291 D292 L298 E302 | I246-M248 PolarHBondContact O-N 3.15Å; M248-L252 HydrophobicContact CB-CD1 3.98Å; M248-L252 HydrophobicContact CG-CD1 4.16Å; M248-S258 WeakPolarHBondContact CE-OG 2.94Å; M248-Y261 HydrophobicContact CG-CD1 4.37Å; M248-Y261 HydrophobicContact CG-CE1 4.39Å; M248-Y291 HydrophobicContact CB-CD1 4.1Å; M248-Y291 HydrophobicContact CB-CE1 4.48Å; M248-Y291 HydrophobicContact CE-CD1 4.29Å; M248-Y291 HydrophobicContact CE-CE1 3.67Å; M248-Y291 CarbonylContact O-C 3.59Å; M248-Y291 WeakPolarHBondContact O-CA 3.07Å; M248-D292 PolarHBondContact O-N 3.28Å; M248-L298 HydrophobicContact CE-CD2 4.15Å; M248-L298 HydrophobicContact SD-CD1 4.19Å; M248-L298 HydrophobicContact SD-CD2 4.36Å; M248-E302 HydrophobicContact CE-CB 3.91Å; M248-E302 HydrophobicContact CE-CG 4.02Å; M248-E302 VanDerWaalsContact CE-OE1 3.3Å; M248-E302 WeakPolarHBondContact CE-OE1 3.45Å; M248-E302 WeakPolarHBondContact CE-OE2 3.5Å; M248-E302 HydrophobicContact SD-CB 4.49Å | ||
| 249 | P | 98.3 | Very high | 98.1 | Very high | 28 Ų | 28 | 28.1 Ų | 28.1 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -60.1 | 149.7 | -178.8 | -26 | 38.7 | 0 | 0 | 0 | 111.6 | Y210 F212 Y247 V251 L252 | Y210-P249 HydrophobicContact CD1-CG 4.4Å; F212-P249 HydrophobicContact CE2-CB 4.19Å; F212-P249 HydrophobicContact CE2-CG 3.82Å; F212-P249 HydrophobicContact CZ-CG 3.92Å; Y247-P249 VanDerWaalsContact O-CD 3.3Å; Y247-P249 WeakPolarHBondContact O-CD 2.9Å; P249-V251 HydrophobicContact CB-CG1 4.25Å; P249-V251 PolarHBondContact O-N 3.14Å; P249-L252 WeakPolarHBondContact O-CB 3.31Å; P249-L252 PolarHBondContact O-N 2.88Å |
| 250 | A | 98 | Very high | 98 | Very high | 42 Ų | 42 | 31.5 Ų | 31.5 | 35% | 0.347 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -49.3 | -32.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | L252 E253 T294 | A250-L252 PolarHBondContact O-N 2.98Å; A250-L252 VanDerWaalsContact O-N 3.14Å; A250-E253 WeakPolarHBondContact O-CB 3.19Å; A250-E253 PolarHBondContact O-N 2.78Å; A250-E253 VanDerWaalsContact O-N 3.15Å; A250-T294 HydrophobicContact CB-CG2 3.72Å |
| 251 | V | 97.6 | Very high | 98.1 | Very high | 70 Ų | 70 | 29.7 Ų | 29.7 | 42% | 0.424 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -64.7 | -14.3 | 177.7 | 72.3 | 0 | 0 | 0 | 0 | 114.3 | F212 L213 P249 E253 T255 | F212-V251 HydrophobicContact CB-CG1 4.31Å; F212-V251 HydrophobicContact CD2-CG1 3.39Å; F212-V251 HydrophobicContact CE2-CG1 3.92Å; F212-V251 HydrophobicContact CG-CG1 4.05Å; L213-V251 HydrophobicContact CD2-CG2 4.22Å; P249-V251 HydrophobicContact CB-CG1 4.25Å; P249-V251 PolarHBondContact O-N 3.14Å; V251-E253 VanDerWaalsContact C-N 3.35Å; V251-T255 WeakPolarHBondContact O-CG2 3.26Å |
| 252 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -78.6 | -19.5 | 175.6 | -77.3 | 176.4 | 0 | 0 | 0 | 113.1 | F212 M248 P249 A250 G254 T255 K257 Y261 Y291 | F212-L252 HydrophobicContact CD1-CD2 3.54Å; F212-L252 HydrophobicContact CD1-CG 4.15Å; F212-L252 HydrophobicContact CE1-CD1 3.94Å; F212-L252 HydrophobicContact CE1-CD2 3.64Å; F212-L252 HydrophobicContact CE1-CG 3.9Å; F212-L252 HydrophobicContact CG-CD2 4.23Å; F212-L252 HydrophobicContact CZ-CD1 4.13Å; F212-L252 HydrophobicContact CZ-CD2 4.4Å; F212-L252 HydrophobicContact CZ-CG 4.18Å; M248-L252 HydrophobicContact CB-CD1 3.98Å; M248-L252 HydrophobicContact CG-CD1 4.16Å; P249-L252 WeakPolarHBondContact O-CB 3.31Å; P249-L252 PolarHBondContact O-N 2.88Å; A250-L252 PolarHBondContact O-N 2.98Å; A250-L252 VanDerWaalsContact O-N 3.14Å; L252-G254 PolarHBondContact O-N 2.78Å; L252-G254 VanDerWaalsContact O-N 3.16Å; L252-T255 WeakPolarHBondContact O-CB 3.43Å; L252-T255 WeakPolarHBondContact O-CG2 3.5Å; L252-T255 PolarHBondContact O-N 2.79Å; L252-T255 PolarHBondContact O-OG1 3.16Å; L252-K257 HydrophobicContact CD2-CB 3.75Å; L252-Y261 HydrophobicContact CD1-CD1 3.84Å; L252-Y261 HydrophobicContact CD1-CE1 4.42Å; L252-Y261 HydrophobicContact CD1-CG 4.03Å; L252-Y291 HydrophobicContact CB-CE1 4.29Å |
| 253 | E | 97.8 | Very high | 98.1 | Very high | 88 Ų | 88 | 32.1 Ų | 32.1 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 118.7 | -177.7 | -173.5 | 168 | -147.4 | 0 | 0 | 111.3 | A250 V251 T255 Y291 H296 | A250-E253 WeakPolarHBondContact O-CB 3.19Å; A250-E253 PolarHBondContact O-N 2.78Å; A250-E253 VanDerWaalsContact O-N 3.15Å; V251-E253 VanDerWaalsContact C-N 3.35Å; E253-T255 PolarHBondContact O-N 3.03Å; E253-Y291 VanDerWaalsContact CA-CZ 3.47Å; E253-Y291 WeakPolarHBondContact CA-OH 3.06Å; E253-Y291 HydrophobicContact CB-CD1 4.18Å; E253-Y291 HydrophobicContact CB-CD2 4.02Å; E253-Y291 HydrophobicContact CB-CE1 3.87Å; E253-Y291 HydrophobicContact CB-CE2 3.7Å; E253-Y291 HydrophobicContact CB-CG 4.25Å; E253-Y291 HydrophobicContact CG-CD2 4.03Å; E253-Y291 HydrophobicContact CG-CE2 3.48Å; E253-Y291 VanDerWaalsContact CG-CE2 3.48Å; E253-H296 IonicContact OE1-CG 3.66Å; E253-H296 IonicContact OE1-ND1 3.57Å; E253-H296 PolarHBondContact OE1-ND1 3.38Å; E253-H296 IonicContact OE2-CE1 3.14Å; E253-H296 IonicContact OE2-CG 3.31Å; E253-H296 IonicContact OE2-ND1 2.63Å; E253-H296 PolarHBondContact OE2-ND1 3.4Å |
| 254 | G | 96.5 | Very high | 98.1 | Very high | 80 Ų | 80 | 34.1 Ų | 34.1 | 83% | 0.825 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 11.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L252 | L252-G254 PolarHBondContact O-N 2.78Å; L252-G254 VanDerWaalsContact O-N 3.16Å |
| 255 | T | 95.8 | Very high | 98.1 | Very high | 60 Ų | 60 | 34.2 Ų | 34.2 | 37% | 0.368 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -95.4 | -20.4 | -173.8 | 66.9 | 0 | 0 | 0 | 0 | 116 | V251 L252 E253 K257 | V251-T255 WeakPolarHBondContact O-CG2 3.26Å; L252-T255 WeakPolarHBondContact O-CB 3.43Å; L252-T255 WeakPolarHBondContact O-CG2 3.5Å; L252-T255 PolarHBondContact O-N 2.79Å; L252-T255 PolarHBondContact O-OG1 3.16Å; E253-T255 PolarHBondContact O-N 3.03Å; T255-K257 PolarHBondContact O-N 3.34Å; T255-K257 PolarHBondContact OG1-N 2.98Å |
| 256 | G | 94.7 | Very high | 98.1 | Very high | 59 Ų | 59 | 33.6 Ų | 33.6 | 61% | 0.608 | 21% | 0.212 | S | C | * | . | S | Bend | trans | 70.8 | 11.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 257 | K | 98.1 | Very high | 98.1 | Very high | 60 Ų | 60 | 34.9 Ų | 34.9 | 26% | 0.261 | 22% | 0.223 | S | C | . | . | trans | -95.5 | -11.5 | -178 | -68.7 | 175.2 | 177.6 | 173.7 | 0 | 113.9 | F212 Y217 L252 T255 Q259 M260 Y261 | F212-K257 PolarHBondContact O-NZ 3.44Å; Y217-K257 HydrophobicContact CD1-CB 3.93Å; Y217-K257 HydrophobicContact CD1-CD 3.83Å; Y217-K257 HydrophobicContact CD1-CG 3.9Å; Y217-K257 HydrophobicContact CE1-CB 3.86Å; Y217-K257 HydrophobicContact CE1-CD 4.45Å; Y217-K257 HydrophobicContact CE1-CG 4.35Å; Y217-K257 HydrophobicContact CG-CD 4.31Å; L252-K257 HydrophobicContact CD2-CB 3.75Å; T255-K257 PolarHBondContact O-N 3.34Å; T255-K257 PolarHBondContact OG1-N 2.98Å; K257-Q259 PolarHBondContact O-N 3.15Å; K257-M260 PolarHBondContact O-N 2.72Å; K257-Y261 PolarHBondContact O-N 3.27Å; K257-Y261 VanDerWaalsContact O-N 3.07Å | ||
| 258 | S | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.2 | -44.5 | -172.9 | -53.3 | 0 | 0 | 0 | 0 | 113.7 | M248 M260 Y261 V262 E302 | M248-S258 WeakPolarHBondContact CE-OG 2.94Å; S258-M260 VanDerWaalsContact C-N 3.33Å; S258-M260 PolarHBondContact O-N 3.02Å; S258-Y261 WeakPolarHBondContact O-CB 3.41Å; S258-Y261 PolarHBondContact O-N 2.95Å; S258-V262 WeakPolarHBondContact O-CG2 3.47Å; S258-V262 PolarHBondContact O-N 3.2Å; S258-E302 WeakPolarHBondContact CB-OE2 3.27Å; S258-E302 PolarHBondContact OG-OE1 3.25Å; S258-E302 PolarHBondContact OG-OE2 2.81Å |
| 259 | Q | 98.3 | Very high | 98.1 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 177.8 | -166.6 | 177.3 | 42.1 | 0 | 0 | 111.6 | K257 Y261 V262 Q263 H305 | K257-Q259 PolarHBondContact O-N 3.15Å; Q259-Y261 VanDerWaalsContact C-N 3.34Å; Q259-Y261 PolarHBondContact O-N 2.72Å; Q259-V262 PolarHBondContact O-N 2.78Å; Q259-Q263 WeakPolarHBondContact O-CB 3.32Å; Q259-Q263 PolarHBondContact O-N 3.36Å; Q259-H305 HydrophobicContact CB-CB 4.06Å |
| 260 | M | 98.3 | Very high | 98.1 | Very high | 75 Ų | 75 | 33.9 Ų | 33.9 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.3 | -37.7 | -179.5 | -61.2 | 173.5 | 78.3 | 0 | 0 | 111.3 | Y217 T218 K257 S258 H264 | Y217-M260 HydrophobicContact CE1-CB 4.42Å; T218-M260 WeakPolarHBondContact O-CE 3.38Å; K257-M260 PolarHBondContact O-N 2.72Å; S258-M260 VanDerWaalsContact C-N 3.33Å; S258-M260 PolarHBondContact O-N 3.02Å; M260-H264 PolarHBondContact O-N 2.8Å; M260-H264 PolarHBondContact O-ND1 2.76Å |
| 261 | Y | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.2 | -53.5 | 173.9 | 169.2 | -105.7 | 0 | 0 | 0 | 111.5 | N209 Y210 F212 Y217 Y247 M248 L252 K257 S258 Q259 R265 | N209-Y261 PolarHBondContact ND2-O 3.44Å; N209-Y261 WeakPolarHBondContact OD1-CE2 3.42Å; Y210-Y261 AromaticContact CD1-CE2 3.95Å; Y210-Y261 HydrophobicContact CD1-CE2 3.95Å; Y210-Y261 AromaticContact CE1-CE2 3.84Å; Y210-Y261 HydrophobicContact CE1-CE2 3.84Å; Y210-Y261 WeakPolarHBondContact CE1-OH 3.49Å; F212-Y261 AromaticContact CE1-CD2 3.51Å; F212-Y261 HydrophobicContact CE1-CD2 3.51Å; F212-Y261 HydrophobicContact CE1-CE2 4.11Å; F212-Y261 AromaticContact CE1-CG 3.97Å; F212-Y261 HydrophobicContact CE1-CG 3.97Å; F212-Y261 AromaticContact CZ-CD2 3.71Å; F212-Y261 HydrophobicContact CZ-CD2 3.71Å; F212-Y261 AromaticContact CZ-CE2 3.8Å; F212-Y261 HydrophobicContact CZ-CE2 3.8Å; F212-Y261 HydrophobicContact CZ-CG 4.37Å; Y217-Y261 WeakPolarHBondContact OH-CB 3.35Å; Y247-Y261 WeakPolarHBondContact O-CE1 3.02Å; Y247-Y261 PolarHBondContact O-OH 3.43Å; M248-Y261 HydrophobicContact CG-CD1 4.37Å; M248-Y261 HydrophobicContact CG-CE1 4.39Å; L252-Y261 HydrophobicContact CD1-CD1 3.84Å; L252-Y261 HydrophobicContact CD1-CE1 4.42Å; L252-Y261 HydrophobicContact CD1-CG 4.03Å; K257-Y261 PolarHBondContact O-N 3.27Å; K257-Y261 VanDerWaalsContact O-N 3.07Å; S258-Y261 WeakPolarHBondContact O-CB 3.41Å; S258-Y261 PolarHBondContact O-N 2.95Å; Q259-Y261 VanDerWaalsContact C-N 3.34Å; Q259-Y261 PolarHBondContact O-N 2.72Å; Y261-R265 VanDerWaalsContact CE2-CD 3.42Å; Y261-R265 VanDerWaalsContact O-CG 3.27Å; Y261-R265 WeakPolarHBondContact O-CG 3.35Å; Y261-R265 PolarHBondContact O-N 3.39Å; Y261-R265 WeakPolarHBondContact OH-CD 3.35Å; Y261-R265 PolarHBondContact OH-NE 2.82Å |
| 262 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.4 | -44 | -178.7 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | I246 S258 Q259 H264 R265 V266 H305 E309 | I246-V262 HydrophobicContact CB-CG1 4.3Å; I246-V262 HydrophobicContact CB-CG2 4.33Å; I246-V262 HydrophobicContact CD1-CG1 3.58Å; I246-V262 HydrophobicContact CD1-CG2 4.48Å; I246-V262 HydrophobicContact CG2-CG1 4.3Å; S258-V262 WeakPolarHBondContact O-CG2 3.47Å; S258-V262 PolarHBondContact O-N 3.2Å; Q259-V262 PolarHBondContact O-N 2.78Å; V262-H264 VanDerWaalsContact C-N 3.28Å; V262-H264 PolarHBondContact O-N 2.67Å; V262-R265 PolarHBondContact O-N 2.87Å; V262-V266 HydrophobicContact CG1-CG2 3.93Å; V262-V266 PolarHBondContact O-N 3.26Å; V262-H305 VanDerWaalsContact CB-O 3.31Å; V262-H305 WeakPolarHBondContact CB-O 3.49Å; V262-H305 WeakPolarHBondContact CG2-O 3.42Å; V262-E309 HydrophobicContact CB-CG 4.11Å; V262-E309 HydrophobicContact CG1-CB 4.16Å; V262-E309 HydrophobicContact CG1-CG 3.71Å |
| 263 | Q | 98.7 | Very high | 98.2 | Very high | 53 Ų | 53 | 32.3 Ų | 32.3 | 25% | 0.248 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.6 | -47.7 | -175.7 | -175.4 | -71.7 | -48.3 | 0 | 0 | 111.2 | Q259 A267 E309 Q313 | Q259-Q263 WeakPolarHBondContact O-CB 3.32Å; Q259-Q263 PolarHBondContact O-N 3.36Å; Q263-A267 WeakPolarHBondContact O-CB 3.38Å; Q263-A267 PolarHBondContact O-N 3.05Å; Q263-E309 VanDerWaalsContact CA-OE1 3.29Å; Q263-E309 WeakPolarHBondContact CA-OE1 3.36Å; Q263-E309 HydrophobicContact CB-CG 4.27Å; Q263-E309 WeakPolarHBondContact CB-OE1 3.47Å; Q263-E309 WeakPolarHBondContact CG-OE1 3.28Å; Q263-Q313 PolarHBondContact O-NE2 3.06Å |
| 264 | H | 98.8 | Very high | 98.2 | Very high | 41 Ų | 41 | 32.3 Ų | 32.3 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -75 | -28.1 | -177.6 | -71.5 | 91.8 | 0 | 0 | 0 | 113.6 | T218 G219 Q220 M260 V262 E268 | T218-H264 PolarHBondContact O-CE1 2.75Å; T218-H264 PolarHBondContact O-ND1 3.15Å; G219-H264 VanDerWaalsContact C-CG 3.46Å; G219-H264 VanDerWaalsContact C-ND1 3.32Å; G219-H264 WeakPolarHBondContact O-CB 3.37Å; G219-H264 PolarHBondContact O-ND1 3.14Å; Q220-H264 VanDerWaalsContact CG-NE2 3.26Å; Q220-H264 WeakPolarHBondContact CG-NE2 3.45Å; M260-H264 PolarHBondContact O-N 2.8Å; M260-H264 PolarHBondContact O-ND1 2.76Å; V262-H264 VanDerWaalsContact C-N 3.28Å; V262-H264 PolarHBondContact O-N 2.67Å; H264-E268 VanDerWaalsContact O-CB 3.32Å; H264-E268 WeakPolarHBondContact O-CB 3.3Å; H264-E268 PolarHBondContact O-N 2.86Å |
| 265 | R | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.6 | -45.7 | 175.9 | -68.2 | 177.5 | 79.4 | 75.3 | 2.4 | 111.8 | D206 C207 N209 Y210 S245 I246 Y261 V262 E268 A269 | D206-R265 IonicContact OD1-CZ 3.27Å; D206-R265 VanDerWaalsContact OD1-CZ 3.32Å; D206-R265 IonicContact OD1-NH1 3.27Å; D206-R265 PolarHBondContact OD1-NH1 2.95Å; D206-R265 IonicContact OD1-NH2 3.29Å; D206-R265 PolarHBondContact OD1-NH2 2.75Å; D206-R265 VanDerWaalsContact OD1-NH2 3.1Å; D206-R265 IonicContact OD2-NH2 3.8Å; D206-R265 PolarHBondContact OD2-NH2 3.31Å; C207-R265 HydrophobicContact CB-CB 4.46Å; C207-R265 HydrophobicContact CB-CG 3.72Å; N209-R265 WeakPolarHBondContact OD1-CD 3.48Å; N209-R265 WeakPolarHBondContact OD1-CG 3.47Å; N209-R265 PolarHBondContact OD1-NH1 3.44Å; N209-R265 VanDerWaalsContact OD1-NH1 3.1Å; Y210-R265 PolarHBondContact OH-NH1 3.31Å; Y210-R265 PolarHBondContact OH-NH2 3.26Å; Y210-R265 VanDerWaalsContact OH-NH2 3.13Å; S245-R265 PolarHBondContact O-NE 3.42Å; S245-R265 PolarHBondContact O-NH2 3.34Å; I246-R265 HydrophobicContact CG2-CB 3.69Å; Y261-R265 VanDerWaalsContact CE2-CD 3.42Å; Y261-R265 VanDerWaalsContact O-CG 3.27Å; Y261-R265 WeakPolarHBondContact O-CG 3.35Å; Y261-R265 PolarHBondContact O-N 3.39Å; Y261-R265 WeakPolarHBondContact OH-CD 3.35Å; Y261-R265 PolarHBondContact OH-NE 2.82Å; V262-R265 PolarHBondContact O-N 2.87Å; R265-E268 PolarHBondContact O-N 3.46Å; R265-A269 PolarHBondContact O-N 3.1Å |
| 266 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 175.1 | 180 | 0 | 0 | 0 | 0 | 110.4 | I246 V262 E268 A269 F270 P285 Q313 | I246-V266 HydrophobicContact CG2-CG2 4.26Å; V262-V266 HydrophobicContact CG1-CG2 3.93Å; V262-V266 PolarHBondContact O-N 3.26Å; V266-E268 VanDerWaalsContact C-N 3.33Å; V266-E268 PolarHBondContact O-N 2.94Å; V266-A269 WeakPolarHBondContact O-CB 3.3Å; V266-A269 PolarHBondContact O-N 3Å; V266-F270 HydrophobicContact CG1-CD2 4.08Å; V266-F270 HydrophobicContact CG1-CE2 3.7Å; V266-F270 VanDerWaalsContact O-CD2 3.3Å; V266-F270 WeakPolarHBondContact O-CD2 3.43Å; V266-F270 PolarHBondContact O-N 3.4Å; V266-P285 HydrophobicContact CG2-CG 3.88Å; V266-Q313 HydrophobicContact CG1-CB 3.92Å; V266-Q313 HydrophobicContact CG1-CG 4.2Å |
| 267 | A | 98.7 | Very high | 98.4 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 24% | 0.24 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q263 A269 F270 R271 | Q263-A267 WeakPolarHBondContact O-CB 3.38Å; Q263-A267 PolarHBondContact O-N 3.05Å; A267-A269 VanDerWaalsContact C-N 3.35Å; A267-A269 PolarHBondContact O-N 3.36Å; A267-F270 PolarHBondContact O-N 3.24Å; A267-R271 WeakPolarHBondContact O-CB 3.45Å; A267-R271 PolarHBondContact O-N 3Å |
| 268 | E | 98.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -39.9 | 176.6 | -178.8 | 62.9 | -176.7 | 0 | 0 | 111.9 | P205 N229 H264 R265 V266 F270 R271 V272 | P205-E268 HydrophobicContact CB-CG 4.17Å; P205-E268 HydrophobicContact CG-CG 4.02Å; N229-E268 WeakPolarHBondContact CB-OE1 3.19Å; N229-E268 PolarHBondContact ND2-OE1 3Å; H264-E268 VanDerWaalsContact O-CB 3.32Å; H264-E268 WeakPolarHBondContact O-CB 3.3Å; H264-E268 PolarHBondContact O-N 2.86Å; R265-E268 PolarHBondContact O-N 3.46Å; V266-E268 VanDerWaalsContact C-N 3.33Å; V266-E268 PolarHBondContact O-N 2.94Å; E268-F270 PolarHBondContact O-N 3.45Å; E268-R271 WeakPolarHBondContact O-CB 2.84Å; E268-R271 PolarHBondContact O-N 3.36Å; E268-R271 IonicContact OE1-CZ 2.69Å; E268-R271 IonicContact OE1-NE 3.08Å; E268-R271 PolarHBondContact OE1-NE 3.44Å; E268-R271 IonicContact OE1-NH2 2.69Å; E268-R271 PolarHBondContact OE1-NH2 2.86Å; E268-R271 IonicContact OE2-CZ 3.24Å; E268-R271 IonicContact OE2-NE 3.88Å; E268-R271 PolarHBondContact OE2-NE 3.11Å; E268-R271 IonicContact OE2-NH2 2.87Å; E268-V272 WeakPolarHBondContact O-CG2 3.43Å; E268-V272 PolarHBondContact O-N 2.91Å |
| 269 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P205 L242 P244 R265 V266 A267 V272 A273 V283 | P205-A269 HydrophobicContact CG-CB 4.02Å; L242-A269 HydrophobicContact CB-CB 4.49Å; L242-A269 HydrophobicContact CD1-CB 4.13Å; L242-A269 WeakPolarHBondContact CD1-O 3.28Å; P244-A269 HydrophobicContact CB-CB 4.47Å; P244-A269 HydrophobicContact CG-CB 3.93Å; R265-A269 PolarHBondContact O-N 3.1Å; V266-A269 WeakPolarHBondContact O-CB 3.3Å; V266-A269 PolarHBondContact O-N 3Å; A267-A269 VanDerWaalsContact C-N 3.35Å; A267-A269 PolarHBondContact O-N 3.36Å; A269-V272 WeakPolarHBondContact O-CG2 3.31Å; A269-A273 WeakPolarHBondContact O-CB 3.18Å; A269-A273 PolarHBondContact O-N 3.1Å; A269-A273 VanDerWaalsContact O-N 3.13Å; A269-V283 HydrophobicContact CB-CG1 3.63Å; A269-V283 HydrophobicContact CB-CG2 4Å |
| 270 | F | 98.7 | Very high | 98 | Very high | 22 Ų | 22 | 34 Ų | 34 | 10% | 0.096 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.9 | -38.7 | 173.7 | -72.6 | -63.1 | 0 | 0 | 0 | 112.8 | V266 A267 E268 A273 V274 V283 Q313 | V266-F270 HydrophobicContact CG1-CD2 4.08Å; V266-F270 HydrophobicContact CG1-CE2 3.7Å; V266-F270 VanDerWaalsContact O-CD2 3.3Å; V266-F270 WeakPolarHBondContact O-CD2 3.43Å; V266-F270 PolarHBondContact O-N 3.4Å; A267-F270 PolarHBondContact O-N 3.24Å; E268-F270 PolarHBondContact O-N 3.45Å; F270-A273 PolarHBondContact O-N 2.84Å; F270-V274 VanDerWaalsContact O-CG2 3.3Å; F270-V274 WeakPolarHBondContact O-CG2 3.2Å; F270-V274 PolarHBondContact O-N 2.94Å; F270-V283 HydrophobicContact CD1-CG2 3.74Å; F270-V283 HydrophobicContact CE1-CB 3.96Å; F270-V283 HydrophobicContact CE1-CG2 3.55Å; F270-V283 HydrophobicContact CE2-CB 4.39Å; F270-V283 HydrophobicContact CE2-CG2 4.45Å; F270-V283 HydrophobicContact CG-CG2 4.26Å; F270-V283 HydrophobicContact CZ-CB 3.87Å; F270-V283 HydrophobicContact CZ-CG1 4.47Å; F270-V283 HydrophobicContact CZ-CG2 3.94Å; F270-Q313 HydrophobicContact CD2-CB 4.35Å; F270-Q313 HydrophobicContact CE2-CB 3.85Å; F270-Q313 WeakPolarHBondContact CE2-O 3.37Å |
| 271 | R | 98.6 | Very high | 98 | Very high | 76 Ų | 76 | 30.6 Ų | 30.6 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 179.4 | -169.7 | -164.3 | 69.2 | 77.3 | -0.9 | 111.3 | R226 D230 A267 E268 V274 A275 | R226-R271 PolarHBondContact O-NH2 2.8Å; D230-R271 IonicContact OD1-CZ 3.05Å; D230-R271 VanDerWaalsContact OD1-CZ 3.24Å; D230-R271 IonicContact OD1-NH1 2.95Å; D230-R271 PolarHBondContact OD1-NH1 3.17Å; D230-R271 IonicContact OD1-NH2 2.67Å; D230-R271 PolarHBondContact OD1-NH2 3.11Å; D230-R271 IonicContact OD2-NH1 2.87Å; A267-R271 WeakPolarHBondContact O-CB 3.45Å; A267-R271 PolarHBondContact O-N 3Å; E268-R271 WeakPolarHBondContact O-CB 2.84Å; E268-R271 PolarHBondContact O-N 3.36Å; E268-R271 IonicContact OE1-CZ 2.69Å; E268-R271 IonicContact OE1-NE 3.08Å; E268-R271 PolarHBondContact OE1-NE 3.44Å; E268-R271 IonicContact OE1-NH2 2.69Å; E268-R271 PolarHBondContact OE1-NH2 2.86Å; E268-R271 IonicContact OE2-CZ 3.24Å; E268-R271 IonicContact OE2-NE 3.88Å; E268-R271 PolarHBondContact OE2-NE 3.11Å; E268-R271 IonicContact OE2-NH2 2.87Å; R271-V274 PolarHBondContact O-N 3.08Å; R271-A275 WeakPolarHBondContact O-CB 3.44Å; R271-A275 PolarHBondContact O-N 2.64Å |
| 272 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.9 | -33.8 | -180 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | P205 N229 W236 L242 E268 A269 A275 A276 | P205-V272 HydrophobicContact CB-CG2 4.44Å; P205-V272 HydrophobicContact CG-CG2 3.89Å; N229-V272 HydrophobicContact CB-CG1 4.09Å; W236-V272 HydrophobicContact CD2-CB 4.08Å; W236-V272 HydrophobicContact CD2-CG2 3.9Å; W236-V272 HydrophobicContact CE3-CG2 4.19Å; W236-V272 HydrophobicContact CG-CB 4.08Å; W236-V272 HydrophobicContact CG-CG2 4.24Å; W236-V272 HydrophobicContact CZ2-CB 4.44Å; W236-V272 HydrophobicContact CZ2-CG1 4.3Å; W236-V272 HydrophobicContact CZ2-CG2 4.36Å; L242-V272 HydrophobicContact CD1-CG2 3.83Å; E268-V272 WeakPolarHBondContact O-CG2 3.43Å; E268-V272 PolarHBondContact O-N 2.91Å; A269-V272 WeakPolarHBondContact O-CG2 3.31Å; V272-A275 PolarHBondContact O-N 3.47Å; V272-A276 VanDerWaalsContact O-CB 3.28Å; V272-A276 WeakPolarHBondContact O-CB 3.48Å; V272-A276 PolarHBondContact O-N 2.89Å |
| 273 | A | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -49 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L242 A269 F270 A276 G277 D278 L281 | L242-A273 HydrophobicContact CD1-CB 4.14Å; A269-A273 WeakPolarHBondContact O-CB 3.18Å; A269-A273 PolarHBondContact O-N 3.1Å; A269-A273 VanDerWaalsContact O-N 3.13Å; F270-A273 PolarHBondContact O-N 2.84Å; A273-A276 PolarHBondContact O-N 3.49Å; A273-G277 PolarHBondContact O-N 3.04Å; A273-D278 CarbonylContact C-O 3.56Å; A273-D278 CarbonylContact O-C 3.45Å; A273-D278 PolarHBondContact O-N 3.32Å; A273-L281 HydrophobicContact CB-CB 3.88Å; A273-L281 HydrophobicContact CB-CD2 4.07Å |
| 274 | V | 97.9 | Very high | 98 | Very high | 88 Ų | 88 | 28.7 Ų | 28.7 | 53% | 0.533 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 111 | F270 R271 A276 G277 P279 | F270-V274 VanDerWaalsContact O-CG2 3.3Å; F270-V274 WeakPolarHBondContact O-CG2 3.2Å; F270-V274 PolarHBondContact O-N 2.94Å; R271-V274 PolarHBondContact O-N 3.08Å; V274-A276 PolarHBondContact O-N 3.23Å; V274-G277 PolarHBondContact O-N 3.44Å; V274-P279 HydrophobicContact CG2-CB 4.08Å |
| 275 | A | 97.7 | Very high | 98 | Very high | 73 Ų | 73 | 26.8 Ų | 26.8 | 60% | 0.603 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -64 | -28.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R271 V272 G277 | R271-A275 WeakPolarHBondContact O-CB 3.44Å; R271-A275 PolarHBondContact O-N 2.64Å; V272-A275 PolarHBondContact O-N 3.47Å; A275-G277 VanDerWaalsContact C-N 3.27Å; A275-G277 PolarHBondContact O-N 2.91Å |
| 276 | A | 96.8 | Very high | 98 | Very high | 38 Ų | 38 | 26.9 Ų | 26.9 | 31% | 0.314 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | W236 V272 A273 V274 | W236-A276 HydrophobicContact CB-CB 3.53Å; W236-A276 HydrophobicContact CG-CB 4.42Å; V272-A276 VanDerWaalsContact O-CB 3.28Å; V272-A276 WeakPolarHBondContact O-CB 3.48Å; V272-A276 PolarHBondContact O-N 2.89Å; A273-A276 PolarHBondContact O-N 3.49Å; V274-A276 PolarHBondContact O-N 3.23Å |
| 277 | G | 96.6 | Very high | 98 | Very high | 57 Ų | 57 | 27 Ų | 27 | 59% | 0.588 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84 | 13.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A273 V274 A275 | A273-G277 PolarHBondContact O-N 3.04Å; V274-G277 PolarHBondContact O-N 3.44Å; A275-G277 VanDerWaalsContact C-N 3.27Å; A275-G277 PolarHBondContact O-N 2.91Å |
| 278 | D | 95.5 | Very high | 97.9 | Very high | 22 Ų | 22 | 26 Ų | 26 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | trans | -123.9 | 75.8 | 174.7 | -168.1 | -1.4 | 0 | 0 | 0 | 111.1 | A273 N280 L281 | A273-D278 CarbonylContact C-O 3.56Å; A273-D278 CarbonylContact O-C 3.45Å; A273-D278 PolarHBondContact O-N 3.32Å; D278-N280 PolarHBondContact O-N 3.39Å; D278-N280 VanDerWaalsContact O-N 3.08Å; D278-N280 PolarHBondContact OD1-N 3.5Å; D278-L281 HydrophobicContact CB-CB 4.25Å; D278-L281 WeakPolarHBondContact O-CB 3.38Å; D278-L281 PolarHBondContact O-N 3.46Å; D278-L281 VanDerWaalsContact O-N 3.16Å; D278-L281 PolarHBondContact OD1-N 3.49Å | ||
| 279 | P | 95.6 | Very high | 97.9 | Very high | 66 Ų | 66 | 25.7 Ų | 25.7 | 43% | 0.429 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.1 | 179.1 | 28.4 | -36.5 | 0 | 0 | 0 | 113.9 | V274 | V274-P279 HydrophobicContact CG2-CB 4.08Š|
| 280 | N | 96.3 | Very high | 97.9 | Very high | 60 Ų | 60 | 26 Ų | 26 | 32% | 0.321 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 1.1 | -179.9 | -64.7 | -48.8 | 0 | 0 | 0 | 112.9 | D278 P282 P422 | D278-N280 PolarHBondContact O-N 3.39Å; D278-N280 VanDerWaalsContact O-N 3.08Å; D278-N280 PolarHBondContact OD1-N 3.5Å; N280-P282 VanDerWaalsContact O-CD 3.28Å; N280-P282 WeakPolarHBondContact O-CD 3.43Å; N280-P422 HydrophobicContact CB-CG 3.99Å |
| 281 | L | 97.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -55.7 | 119.4 | -179.7 | -168.3 | 62.1 | 0 | 0 | 0 | 110.5 | R240 L242 A273 D278 V283 | R240-L281 VanDerWaalsContact C-CD1 3.4Å; L242-L281 HydrophobicContact CD1-CD2 3.87Å; L242-L281 HydrophobicContact CD2-CD2 3.91Å; L242-L281 HydrophobicContact CG-CD2 3.59Å; L242-L281 HydrophobicContact CG-CG 4.22Å; A273-L281 HydrophobicContact CB-CB 3.88Å; A273-L281 HydrophobicContact CB-CD2 4.07Å; D278-L281 HydrophobicContact CB-CB 4.25Å; D278-L281 WeakPolarHBondContact O-CB 3.38Å; D278-L281 PolarHBondContact O-N 3.46Å; D278-L281 VanDerWaalsContact O-N 3.16Å; D278-L281 PolarHBondContact OD1-N 3.49Å; L281-V283 PolarHBondContact O-N 3.49Å |
| 282 | P | 98.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 23.8 Ų | 23.8 | 10% | 0.097 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 124.6 | 179.5 | -27.3 | 36.2 | 0 | 0 | 0 | 111.8 | L26 L198 R240 A241 L242 N280 L284 A316 | L26-P282 HydrophobicContact CD2-CB 4.46Å; L26-P282 HydrophobicContact CD2-CG 4.35Å; L198-P282 HydrophobicContact CD2-CG 4.23Å; R240-P282 WeakPolarHBondContact O-CD 3.32Å; A241-P282 CarbonylContact C-O 3.52Å; A241-P282 WeakPolarHBondContact CA-O 3.42Å; A241-P282 HydrophobicContact CB-CB 4.18Å; A241-P282 WeakPolarHBondContact CB-O 3.28Å; L242-P282 PolarHBondContact N-O 2.93Å; N280-P282 VanDerWaalsContact O-CD 3.28Å; N280-P282 WeakPolarHBondContact O-CD 3.43Å; P282-L284 HydrophobicContact CB-CD1 3.7Å; P282-A316 HydrophobicContact CB-CB 3.65Å |
| 283 | V | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -103.6 | 119.3 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | L242 P244 A269 F270 L281 P285 A315 A316 | L242-V283 HydrophobicContact CB-CG2 4.42Å; L242-V283 HydrophobicContact CD1-CG2 4.44Å; P244-V283 HydrophobicContact CG-CG1 4.11Å; A269-V283 HydrophobicContact CB-CG1 3.63Å; A269-V283 HydrophobicContact CB-CG2 4Å; F270-V283 HydrophobicContact CD1-CG2 3.74Å; F270-V283 HydrophobicContact CE1-CB 3.96Å; F270-V283 HydrophobicContact CE1-CG2 3.55Å; F270-V283 HydrophobicContact CE2-CB 4.39Å; F270-V283 HydrophobicContact CE2-CG2 4.45Å; F270-V283 HydrophobicContact CG-CG2 4.26Å; F270-V283 HydrophobicContact CZ-CB 3.87Å; F270-V283 HydrophobicContact CZ-CG1 4.47Å; F270-V283 HydrophobicContact CZ-CG2 3.94Å; L281-V283 PolarHBondContact O-N 3.49Å; V283-P285 HydrophobicContact CG1-CG 4.23Å; V283-A315 CarbonylContact O-C 3.45Å; V283-A316 PolarHBondContact O-N 2.89Å |
| 284 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -126.7 | 87.3 | 179.8 | -65.7 | 91.7 | 0 | 0 | 0 | 109.7 | L26 L125 A241 L242 Y243 P282 A316 G317 | L26-L284 HydrophobicContact CD1-CD1 4.25Å; L26-L284 HydrophobicContact CD1-CD2 3.71Å; L26-L284 HydrophobicContact CD1-CG 4.37Å; L125-L284 HydrophobicContact CD1-CD2 3.96Å; L125-L284 HydrophobicContact CD2-CD2 3.87Å; L125-L284 HydrophobicContact CG-CD2 4.09Å; A241-L284 HydrophobicContact CB-CD1 4.05Å; L242-L284 PolarHBondContact O-N 3.44Å; Y243-L284 HydrophobicContact CD1-CB 3.91Å; Y243-L284 WeakPolarHBondContact CD1-O 3.3Å; Y243-L284 HydrophobicContact CE1-CB 3.89Å; Y243-L284 HydrophobicContact CE1-CD1 4.2Å; Y243-L284 HydrophobicContact CE1-CG 4.45Å; P282-L284 HydrophobicContact CB-CD1 3.7Å; L284-A316 HydrophobicContact CD1-CB 3.76Å; L284-A316 HydrophobicContact CG-CB 3.93Å; L284-G317 WeakPolarHBondContact CA-O 3.37Å | ||
| 285 | P | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -61.2 | 142.9 | -179.4 | -22.4 | 35.1 | 0 | 0 | 0 | 112.1 | P244 I246 V266 V283 A315 G317 V318 V319 | P244-P285 HydrophobicContact CG-CB 4.16Å; P244-P285 HydrophobicContact CG-CG 4.13Å; P244-P285 CarbonylContact O-C 3.33Å; P244-P285 WeakPolarHBondContact O-CA 3.1Å; I246-P285 HydrophobicContact CD1-CB 3.68Å; I246-P285 HydrophobicContact CG1-CB 3.81Å; I246-P285 HydrophobicContact CG2-CB 4.27Å; V266-P285 HydrophobicContact CG2-CG 3.88Å; V283-P285 HydrophobicContact CG1-CG 4.23Å; P285-A315 HydrophobicContact CG-CB 4.48Å; P285-G317 WeakPolarHBondContact CD-O 3.34Å; P285-V318 WeakPolarHBondContact O-CA 3.44Å; P285-V319 PolarHBondContact O-N 3.27Å | ||
| 286 | Y | 98.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 125 | 169.5 | -94.9 | -107.3 | 0 | 0 | 0 | 109.5 | M71 V127 Y202 Y243 P244 I246 Y247 V319 W321 | M71-Y286 WeakPolarHBondContact CE-OH 3.16Å; V127-Y286 HydrophobicContact CG1-CE2 4.22Å; V127-Y286 HydrophobicContact CG2-CE2 4.44Å; Y202-Y286 AromaticContact CD2-CD1 3.86Å; Y202-Y286 HydrophobicContact CD2-CD1 3.86Å; Y202-Y286 AromaticContact CD2-CD2 3.79Å; Y202-Y286 HydrophobicContact CD2-CD2 3.79Å; Y202-Y286 HydrophobicContact CD2-CE1 4.1Å; Y202-Y286 HydrophobicContact CD2-CE2 4.03Å; Y202-Y286 AromaticContact CD2-CG 3.69Å; Y202-Y286 HydrophobicContact CD2-CG 3.69Å; Y202-Y286 AromaticContact CE2-CD1 3.73Å; Y202-Y286 HydrophobicContact CE2-CD1 3.73Å; Y202-Y286 HydrophobicContact CE2-CD2 4.22Å; Y202-Y286 HydrophobicContact CE2-CE1 4.34Å; Y202-Y286 AromaticContact CE2-CG 3.64Å; Y202-Y286 HydrophobicContact CE2-CG 3.64Å; Y243-Y286 HydrophobicContact CD1-CD2 4.39Å; Y243-Y286 AromaticContact CD1-CE2 3.95Å; Y243-Y286 HydrophobicContact CD1-CE2 3.95Å; Y243-Y286 HydrophobicContact CG-CE2 4.22Å; P244-Y286 PolarHBondContact O-N 3.47Å; I246-Y286 WeakPolarHBondContact CG1-O 3.47Å; I246-Y286 PolarHBondContact N-O 3.14Å; Y247-Y286 WeakPolarHBondContact CD1-O 3.34Å; Y247-Y286 WeakPolarHBondContact OH-CD1 3.4Å; Y286-V319 WeakPolarHBondContact CA-O 3.19Å; Y286-V319 HydrophobicContact CD1-CB 4.11Å; Y286-V319 HydrophobicContact CD1-CG1 4Å; Y286-V319 HydrophobicContact CD2-CB 3.93Å; Y286-V319 HydrophobicContact CD2-CG1 4.49Å; Y286-V319 HydrophobicContact CD2-CG2 4.23Å; Y286-V319 HydrophobicContact CE1-CB 4.02Å; Y286-V319 HydrophobicContact CE1-CG1 3.53Å; Y286-V319 HydrophobicContact CE2-CB 3.84Å; Y286-V319 HydrophobicContact CE2-CG1 4.08Å; Y286-V319 HydrophobicContact CE2-CG2 3.86Å; Y286-V319 HydrophobicContact CG-CB 4.08Å; Y286-V319 HydrophobicContact CG-CG1 4.46Å; Y286-W321 HydrophobicContact CD1-CB 3.91Å; Y286-W321 HydrophobicContact CE1-CB 4.2Å |
| 287 | V | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 152.1 | 179.2 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | I246 L307 V318 V319 L320 W321 | I246-V287 HydrophobicContact CD1-CG1 3.37Å; I246-V287 HydrophobicContact CG1-CG1 3.51Å; V287-L307 HydrophobicContact CB-CD1 4.2Å; V287-L307 HydrophobicContact CG1-CD1 4.18Å; V287-L307 HydrophobicContact CG1-CG 4.48Å; V287-L307 HydrophobicContact CG2-CD1 4.01Å; V287-L307 HydrophobicContact CG2-CG 4.24Å; V287-V318 HydrophobicContact CG1-CG1 4.36Å; V287-V318 HydrophobicContact CG2-CB 4.31Å; V287-V319 PolarHBondContact N-O 2.96Å; V287-L320 HydrophobicContact CG2-CB 4.17Å; V287-L320 HydrophobicContact CG2-CD2 4.47Å; V287-L320 HydrophobicContact CG2-CG 3.68Å; V287-L320 WeakPolarHBondContact O-CA 3.21Å; V287-W321 PolarHBondContact O-N 3.42Å |
| 288 | Q | 98.2 | Very high | 97.7 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | trans | -107.8 | 160.7 | 163.3 | -79.5 | -175 | 68.5 | 0 | 0 | 109.2 | Y247 F290 D292 L298 W321 | Y247-Q288 HydrophobicContact CD1-CB 4.26Å; Y247-Q288 HydrophobicContact CD1-CG 3.74Å; Y247-Q288 HydrophobicContact CD2-CG 4.31Å; Y247-Q288 HydrophobicContact CE1-CG 3.74Å; Y247-Q288 HydrophobicContact CE2-CG 4.3Å; Y247-Q288 HydrophobicContact CG-CG 4.05Å; Y247-Q288 VanDerWaalsContact CG-NE2 3.32Å; Q288-F290 VanDerWaalsContact C-N 3.31Å; Q288-F290 WeakPolarHBondContact CB-O 3.29Å; Q288-D292 PolarHBondContact NE2-OD1 2.98Å; Q288-L298 VanDerWaalsContact O-CD1 3.24Å; Q288-L298 WeakPolarHBondContact O-CD1 3.46Å; Q288-W321 HydrophobicContact CG-CE3 3.74Å; Q288-W321 HydrophobicContact CG-CZ3 4.21Å; Q288-W321 WeakPolarHBondContact CG-O 3.38Å | ||
| 289 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -94.3 | 3.3 | 170.3 | 68.5 | 172.7 | 0 | 0 | 0 | 112.1 | W36 F297 L298 L320 V322 I336 Y339 L344 | W36-I289 HydrophobicContact CH2-CD1 4.07Å; W36-I289 HydrophobicContact CZ3-CG2 4.35Å; I289-F297 HydrophobicContact CD1-CD1 4.31Å; I289-F297 HydrophobicContact CD1-CE1 3.93Å; I289-F297 HydrophobicContact CG1-CD1 4.43Å; I289-F297 HydrophobicContact CG1-CE1 4.44Å; I289-F297 WeakPolarHBondContact O-CA 3.49Å; I289-L298 PolarHBondContact O-N 2.85Å; I289-L320 HydrophobicContact CG2-CD2 4.14Å; I289-V322 HydrophobicContact CD1-CG2 4.21Å; I289-V322 HydrophobicContact CG1-CG2 4.26Å; I289-I336 HydrophobicContact CD1-CG1 4.42Å; I289-Y339 HydrophobicContact CB-CE1 4.05Å; I289-Y339 HydrophobicContact CD1-CD1 4.29Å; I289-Y339 HydrophobicContact CD1-CE1 4.42Å; I289-L344 HydrophobicContact CD1-CD2 4.47Å; I289-L344 HydrophobicContact CG2-CD1 4.29Å; I289-L344 HydrophobicContact CG2-CD2 3.65Å |
| 290 | F | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -122.8 | 155.9 | 175.9 | -58.7 | -81.5 | 0 | 0 | 0 | 109.1 | Q288 D292 N295 H296 F297 V322 N326 I336 | Q288-F290 VanDerWaalsContact C-N 3.31Å; Q288-F290 WeakPolarHBondContact CB-O 3.29Å; F290-D292 PolarHBondContact O-N 3.24Å; F290-N295 VanDerWaalsContact CD1-C 3.46Å; F290-H296 CarbonylContact C-O 3.59Å; F290-H296 WeakPolarHBondContact CA-O 3.45Å; F290-F297 AromaticContact CD1-CD1 3.91Å; F290-F297 HydrophobicContact CD1-CD1 3.91Å; F290-F297 HydrophobicContact CD1-CD2 4.48Å; F290-F297 HydrophobicContact CD1-CE1 4.21Å; F290-F297 HydrophobicContact CD1-CG 4.07Å; F290-F297 AromaticContact CE1-CD1 3.38Å; F290-F297 HydrophobicContact CE1-CD1 3.38Å; F290-F297 AromaticContact CE1-CD2 3.82Å; F290-F297 HydrophobicContact CE1-CD2 3.82Å; F290-F297 AromaticContact CE1-CE1 3.25Å; F290-F297 HydrophobicContact CE1-CE1 3.25Å; F290-F297 AromaticContact CE1-CE2 3.68Å; F290-F297 HydrophobicContact CE1-CE2 3.68Å; F290-F297 AromaticContact CE1-CG 3.68Å; F290-F297 HydrophobicContact CE1-CG 3.68Å; F290-F297 AromaticContact CE1-CZ 3.4Å; F290-F297 HydrophobicContact CE1-CZ 3.4Å; F290-F297 VanDerWaalsContact CE1-CZ 3.4Å; F290-F297 HydrophobicContact CE2-CE1 4.16Å; F290-F297 AromaticContact CZ-CD1 3.76Å; F290-F297 HydrophobicContact CZ-CD1 3.76Å; F290-F297 AromaticContact CZ-CE1 3.21Å; F290-F297 HydrophobicContact CZ-CE1 3.21Å; F290-F297 HydrophobicContact CZ-CE2 4.22Å; F290-F297 HydrophobicContact CZ-CG 4.47Å; F290-F297 AromaticContact CZ-CZ 3.48Å; F290-F297 HydrophobicContact CZ-CZ 3.48Å; F290-F297 VanDerWaalsContact CZ-CZ 3.48Å; F290-V322 HydrophobicContact CE2-CG1 4.15Å; F290-N326 HydrophobicContact CD2-CB 4.13Å; F290-N326 HydrophobicContact CE2-CB 3.49Å; F290-N326 VanDerWaalsContact CE2-CB 3.49Å; F290-N326 HydrophobicContact CZ-CB 3.89Å; F290-I336 HydrophobicContact CE2-CD1 4.39Å; F290-I336 HydrophobicContact CE2-CG1 4.49Å; F290-I336 HydrophobicContact CZ-CD1 4.24Å; F290-I336 HydrophobicContact CZ-CG1 3.98Å |
| 291 | Y | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -60.5 | 136.9 | 158.5 | -67.8 | -80.4 | 0 | 0 | 0 | 108.8 | M248 L252 E253 T293 T294 H296 L298 E302 | M248-Y291 HydrophobicContact CB-CD1 4.1Å; M248-Y291 HydrophobicContact CB-CE1 4.48Å; M248-Y291 HydrophobicContact CE-CD1 4.29Å; M248-Y291 HydrophobicContact CE-CE1 3.67Å; M248-Y291 CarbonylContact O-C 3.59Å; M248-Y291 WeakPolarHBondContact O-CA 3.07Å; L252-Y291 HydrophobicContact CB-CE1 4.29Å; E253-Y291 VanDerWaalsContact CA-CZ 3.47Å; E253-Y291 WeakPolarHBondContact CA-OH 3.06Å; E253-Y291 HydrophobicContact CB-CD1 4.18Å; E253-Y291 HydrophobicContact CB-CD2 4.02Å; E253-Y291 HydrophobicContact CB-CE1 3.87Å; E253-Y291 HydrophobicContact CB-CE2 3.7Å; E253-Y291 HydrophobicContact CB-CG 4.25Å; E253-Y291 HydrophobicContact CG-CD2 4.03Å; E253-Y291 HydrophobicContact CG-CE2 3.48Å; E253-Y291 VanDerWaalsContact CG-CE2 3.48Å; Y291-T293 PolarHBondContact O-N 3.01Å; Y291-T294 WeakPolarHBondContact O-CB 3.35Å; Y291-T294 PolarHBondContact O-N 3.08Å; Y291-T294 PolarHBondContact O-OG1 3.48Å; Y291-H296 HydrophobicContact CD2-CB 4.09Å; Y291-H296 PolarHBondContact N-O 3.29Å; Y291-L298 HydrophobicContact CD1-CD2 3.78Å; Y291-L298 HydrophobicContact CD2-CD2 3.82Å; Y291-L298 HydrophobicContact CE1-CD2 3.81Å; Y291-L298 HydrophobicContact CE2-CD2 3.86Å; Y291-L298 HydrophobicContact CG-CD2 3.78Å; Y291-E302 VanDerWaalsContact OH-CG 3.3Å; Y291-E302 WeakPolarHBondContact OH-CG 3.33Å; Y291-E302 PolarHBondContact OH-OE1 3.16Å |
| 292 | D | 97.5 | Very high | 98 | Very high | 48 Ų | 48 | 35.2 Ų | 35.2 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | B | Isolated β-bridge | trans | -56.1 | 138.1 | -171.3 | -169.8 | 27.3 | 0 | 0 | 0 | 111.3 | M248 Q288 F290 T294 | M248-D292 PolarHBondContact O-N 3.28Å; Q288-D292 PolarHBondContact NE2-OD1 2.98Å; F290-D292 PolarHBondContact O-N 3.24Å; D292-T294 PolarHBondContact O-N 3.31Å |
| 293 | T | 94.5 | Very high | 98 | Very high | 122 Ų | 122 | 34.5 Ų | 34.5 | 75% | 0.748 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 16.8 | -175.2 | 71.3 | 0 | 0 | 0 | 0 | 116 | Y291 | Y291-T293 PolarHBondContact O-N 3.01Š|
| 294 | T | 96.8 | Very high | 98 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 17% | 0.172 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -123.1 | 176.3 | 179 | 80.3 | 0 | 0 | 0 | 0 | 112.8 | A250 Y291 D292 H296 N326 | A250-T294 HydrophobicContact CB-CG2 3.72Å; Y291-T294 WeakPolarHBondContact O-CB 3.35Å; Y291-T294 PolarHBondContact O-N 3.08Å; Y291-T294 PolarHBondContact O-OG1 3.48Å; D292-T294 PolarHBondContact O-N 3.31Å; T294-H296 PolarHBondContact OG1-N 3.34Å; T294-N326 PolarHBondContact O-ND2 3.27Å; T294-N326 VanDerWaalsContact O-ND2 3.09Å |
| 295 | N | 95.7 | Very high | 98 | Very high | 109 Ų | 109 | 38.3 Ų | 38.3 | 58% | 0.583 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -108 | 15.5 | 163.2 | 65.6 | -16.9 | 0 | 0 | 0 | 112.3 | F290 F297 | F290-N295 VanDerWaalsContact CD1-C 3.46Å; N295-F297 PolarHBondContact O-N 3.27Å |
| 296 | H | 98 | Very high | 98 | Very high | 88 Ų | 88 | 38.4 Ų | 38.4 | 41% | 0.407 | 21% | 0.205 | S | C | . | . | trans | -83.5 | 109.3 | 178 | -62.6 | -175.5 | 0 | 0 | 0 | 108.9 | E253 F290 Y291 T294 | E253-H296 IonicContact OE1-CG 3.66Å; E253-H296 IonicContact OE1-ND1 3.57Å; E253-H296 PolarHBondContact OE1-ND1 3.38Å; E253-H296 IonicContact OE2-CE1 3.14Å; E253-H296 IonicContact OE2-CG 3.31Å; E253-H296 IonicContact OE2-ND1 2.63Å; E253-H296 PolarHBondContact OE2-ND1 3.4Å; F290-H296 CarbonylContact C-O 3.59Å; F290-H296 WeakPolarHBondContact CA-O 3.45Å; Y291-H296 HydrophobicContact CD2-CB 4.09Å; Y291-H296 PolarHBondContact N-O 3.29Å; T294-H296 PolarHBondContact OG1-N 3.34Å | ||
| 297 | F | 98.6 | Very high | 98 | Very high | 56 Ų | 56 | 38.1 Ų | 38.1 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -60.7 | 142 | 178 | -74.4 | -79.9 | 0 | 0 | 0 | 111 | I289 F290 N295 A335 I336 Y339 | I289-F297 HydrophobicContact CD1-CD1 4.31Å; I289-F297 HydrophobicContact CD1-CE1 3.93Å; I289-F297 HydrophobicContact CG1-CD1 4.43Å; I289-F297 HydrophobicContact CG1-CE1 4.44Å; I289-F297 WeakPolarHBondContact O-CA 3.49Å; F290-F297 AromaticContact CD1-CD1 3.91Å; F290-F297 HydrophobicContact CD1-CD1 3.91Å; F290-F297 HydrophobicContact CD1-CD2 4.48Å; F290-F297 HydrophobicContact CD1-CE1 4.21Å; F290-F297 HydrophobicContact CD1-CG 4.07Å; F290-F297 AromaticContact CE1-CD1 3.38Å; F290-F297 HydrophobicContact CE1-CD1 3.38Å; F290-F297 AromaticContact CE1-CD2 3.82Å; F290-F297 HydrophobicContact CE1-CD2 3.82Å; F290-F297 AromaticContact CE1-CE1 3.25Å; F290-F297 HydrophobicContact CE1-CE1 3.25Å; F290-F297 AromaticContact CE1-CE2 3.68Å; F290-F297 HydrophobicContact CE1-CE2 3.68Å; F290-F297 AromaticContact CE1-CG 3.68Å; F290-F297 HydrophobicContact CE1-CG 3.68Å; F290-F297 AromaticContact CE1-CZ 3.4Å; F290-F297 HydrophobicContact CE1-CZ 3.4Å; F290-F297 VanDerWaalsContact CE1-CZ 3.4Å; F290-F297 HydrophobicContact CE2-CE1 4.16Å; F290-F297 AromaticContact CZ-CD1 3.76Å; F290-F297 HydrophobicContact CZ-CD1 3.76Å; F290-F297 AromaticContact CZ-CE1 3.21Å; F290-F297 HydrophobicContact CZ-CE1 3.21Å; F290-F297 HydrophobicContact CZ-CE2 4.22Å; F290-F297 HydrophobicContact CZ-CG 4.47Å; F290-F297 AromaticContact CZ-CZ 3.48Å; F290-F297 HydrophobicContact CZ-CZ 3.48Å; F290-F297 VanDerWaalsContact CZ-CZ 3.48Å; N295-F297 PolarHBondContact O-N 3.27Å; F297-A335 HydrophobicContact CE2-CB 3.8Å; F297-A335 HydrophobicContact CZ-CB 4.02Å; F297-I336 HydrophobicContact CE1-CG1 3.99Å; F297-I336 HydrophobicContact CZ-CG1 3.86Å; F297-Y339 HydrophobicContact CB-CD2 3.87Å; F297-Y339 HydrophobicContact CB-CE2 3.72Å; F297-Y339 HydrophobicContact CB-CG 4.5Å; F297-Y339 AromaticContact CD1-CD1 3.55Å; F297-Y339 HydrophobicContact CD1-CD1 3.55Å; F297-Y339 AromaticContact CD1-CD2 3.7Å; F297-Y339 HydrophobicContact CD1-CD2 3.7Å; F297-Y339 AromaticContact CD1-CE1 3.87Å; F297-Y339 HydrophobicContact CD1-CE1 3.87Å; F297-Y339 HydrophobicContact CD1-CE2 4.02Å; F297-Y339 AromaticContact CD1-CG 3.44Å; F297-Y339 HydrophobicContact CD1-CG 3.44Å; F297-Y339 VanDerWaalsContact CD1-CG 3.44Å; F297-Y339 AromaticContact CE1-CD1 3.78Å; F297-Y339 HydrophobicContact CE1-CD1 3.78Å; F297-Y339 HydrophobicContact CE1-CD2 4.36Å; F297-Y339 HydrophobicContact CE1-CE1 4.47Å; F297-Y339 AromaticContact CE1-CG 3.7Å; F297-Y339 HydrophobicContact CE1-CG 3.7Å; F297-Y339 HydrophobicContact CG-CD1 4.47Å; F297-Y339 AromaticContact CG-CD2 3.8Å; F297-Y339 HydrophobicContact CG-CD2 3.8Å; F297-Y339 HydrophobicContact CG-CE2 4.11Å; F297-Y339 AromaticContact CG-CG 3.99Å; F297-Y339 HydrophobicContact CG-CG 3.99Å; F297-Y339 HydrophobicContact CZ-CG 4.45Å |
| 298 | L | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -64 | 127 | 171.7 | -65.3 | -174.1 | 0 | 0 | 0 | 109.3 | M248 Q288 I289 Y291 E302 L303 Y339 | M248-L298 HydrophobicContact CE-CD2 4.15Å; M248-L298 HydrophobicContact SD-CD1 4.19Å; M248-L298 HydrophobicContact SD-CD2 4.36Å; Q288-L298 VanDerWaalsContact O-CD1 3.24Å; Q288-L298 WeakPolarHBondContact O-CD1 3.46Å; I289-L298 PolarHBondContact O-N 2.85Å; Y291-L298 HydrophobicContact CD1-CD2 3.78Å; Y291-L298 HydrophobicContact CD2-CD2 3.82Å; Y291-L298 HydrophobicContact CE1-CD2 3.81Å; Y291-L298 HydrophobicContact CE2-CD2 3.86Å; Y291-L298 HydrophobicContact CG-CD2 3.78Å; L298-E302 HydrophobicContact CB-CB 4.01Å; L298-E302 HydrophobicContact CD2-CB 4.2Å; L298-E302 HydrophobicContact CG-CB 4.48Å; L298-L303 HydrophobicContact CB-CD2 4.3Å; L298-Y339 WeakPolarHBondContact O-CE2 3.32Å; L298-Y339 PolarHBondContact O-OH 2.93Å |
| 299 | P | 98.2 | Very high | 98 | Very high | 64 Ų | 64 | 37.7 Ų | 37.7 | 42% | 0.416 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 164.5 | 170 | 28.3 | -35.1 | 0 | 0 | 0 | 110.4 | D301 E302 L303 | P299-D301 PolarHBondContact O-N 3.4Å; P299-E302 HydrophobicContact CG-CB 4.09Å; P299-E302 HydrophobicContact CG-CG 3.52Å; P299-E302 PolarHBondContact O-N 3.08Å; P299-L303 PolarHBondContact O-N 3.1Å |
| 300 | L | 98.1 | Very high | 98 | Very high | 85 Ų | 85 | 37.7 Ų | 37.7 | 45% | 0.445 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -52.6 | -40.6 | -179.9 | 180 | 61.6 | 0 | 0 | 0 | 112.7 | E302 L303 E304 T343 F347 | L300-E302 PolarHBondContact O-N 2.66Å; L300-L303 HydrophobicContact CD1-CD1 4.46Å; L300-L303 WeakPolarHBondContact O-CB 3.31Å; L300-L303 PolarHBondContact O-N 2.79Å; L300-L303 VanDerWaalsContact O-N 3.1Å; L300-E304 PolarHBondContact O-N 3.08Å; L300-T343 HydrophobicContact CB-CG2 4.39Å; L300-F347 HydrophobicContact CD1-CB 4.16Å; L300-F347 HydrophobicContact CD1-CD2 3.59Å; L300-F347 HydrophobicContact CD1-CE2 4.41Å; L300-F347 HydrophobicContact CD1-CG 4.16Å |
| 301 | D | 97.4 | Very high | 98.1 | Very high | 88 Ų | 88 | 37.6 Ų | 37.6 | 47% | 0.471 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.5 | -37.3 | 176.1 | -170.2 | 43.8 | 0 | 0 | 0 | 112.3 | P299 E304 H305 | P299-D301 PolarHBondContact O-N 3.4Å; D301-E304 WeakPolarHBondContact O-CB 3.37Å; D301-E304 PolarHBondContact O-N 3.07Å; D301-H305 PolarHBondContact O-N 3.4Å; D301-H305 PolarHBondContact O-ND1 3.19Å; D301-H305 VanDerWaalsContact O-ND1 3.12Å; D301-H305 IonicContact OD1-CE1 2.71Å; D301-H305 PolarHBondContact OD1-CE1 2.89Å; D301-H305 IonicContact OD1-ND1 3.52Å; D301-H305 IonicContact OD1-NE2 3.58Å; D301-H305 IonicContact OD2-CE1 2.82Å; D301-H305 PolarHBondContact OD2-CE1 3.49Å; D301-H305 VanDerWaalsContact OD2-CE1 3.27Å; D301-H305 IonicContact OD2-ND1 3.83Å |
| 302 | E | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -81.5 | -24 | -179.6 | -60.7 | -78.2 | -129.9 | 0 | 0 | 112.3 | M248 S258 Y291 L298 P299 L300 H305 S306 | M248-E302 HydrophobicContact CE-CB 3.91Å; M248-E302 HydrophobicContact CE-CG 4.02Å; M248-E302 VanDerWaalsContact CE-OE1 3.3Å; M248-E302 WeakPolarHBondContact CE-OE1 3.45Å; M248-E302 WeakPolarHBondContact CE-OE2 3.5Å; M248-E302 HydrophobicContact SD-CB 4.49Å; S258-E302 WeakPolarHBondContact CB-OE2 3.27Å; S258-E302 PolarHBondContact OG-OE1 3.25Å; S258-E302 PolarHBondContact OG-OE2 2.81Å; Y291-E302 VanDerWaalsContact OH-CG 3.3Å; Y291-E302 WeakPolarHBondContact OH-CG 3.33Å; Y291-E302 PolarHBondContact OH-OE1 3.16Å; L298-E302 HydrophobicContact CB-CB 4.01Å; L298-E302 HydrophobicContact CD2-CB 4.2Å; L298-E302 HydrophobicContact CG-CB 4.48Å; P299-E302 HydrophobicContact CG-CB 4.09Å; P299-E302 HydrophobicContact CG-CG 3.52Å; P299-E302 PolarHBondContact O-N 3.08Å; L300-E302 PolarHBondContact O-N 2.66Å; E302-H305 PolarHBondContact O-N 2.83Å; E302-H305 IonicContact OE2-CG 3.47Å; E302-H305 IonicContact OE2-ND1 2.76Å; E302-H305 PolarHBondContact OE2-ND1 3.29Å; E302-H305 VanDerWaalsContact OE2-ND1 3.15Å; E302-S306 VanDerWaalsContact O-CB 3.31Å; E302-S306 WeakPolarHBondContact O-CB 3.34Å; E302-S306 PolarHBondContact O-N 3.17Å; E302-S306 PolarHBondContact O-OG 3.13Å |
| 303 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -40.7 | 166.1 | -63.2 | 179.9 | 0 | 0 | 0 | 111 | L298 P299 L300 S306 L307 G308 Y339 T343 L344 F347 | L298-L303 HydrophobicContact CB-CD2 4.3Å; P299-L303 PolarHBondContact O-N 3.1Å; L300-L303 HydrophobicContact CD1-CD1 4.46Å; L300-L303 WeakPolarHBondContact O-CB 3.31Å; L300-L303 PolarHBondContact O-N 2.79Å; L300-L303 VanDerWaalsContact O-N 3.1Å; L303-S306 PolarHBondContact O-N 2.88Å; L303-S306 PolarHBondContact O-OG 2.83Å; L303-L307 HydrophobicContact CD2-CD1 3.95Å; L303-L307 PolarHBondContact O-N 3Å; L303-G308 PolarHBondContact O-N 2.89Å; L303-G308 VanDerWaalsContact O-N 3.11Å; L303-Y339 WeakPolarHBondContact CD1-OH 3.18Å; L303-T343 HydrophobicContact CD1-CG2 3.94Å; L303-L344 HydrophobicContact CD1-CD1 4.19Å; L303-L344 HydrophobicContact CD2-CD1 4.14Å; L303-F347 HydrophobicContact CB-CD1 3.85Å; L303-F347 HydrophobicContact CB-CD2 4.27Å; L303-F347 HydrophobicContact CB-CE1 3.83Å; L303-F347 HydrophobicContact CB-CE2 4.21Å; L303-F347 HydrophobicContact CB-CG 4.08Å; L303-F347 HydrophobicContact CB-CZ 3.99Å; L303-F347 HydrophobicContact CD1-CB 4.07Å; L303-F347 HydrophobicContact CD1-CD1 4.11Å; L303-F347 HydrophobicContact CD1-CG 4.02Å; L303-F347 WeakPolarHBondContact O-CZ 3.43Å |
| 304 | E | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 30.4 Ų | 30.4 | 26% | 0.262 | 16% | 0.159 | S | C | . | . | I | π-helix | trans | -60.7 | -45.6 | 172.3 | -73 | -178.7 | -148.8 | 0 | 0 | 111.2 | L300 D301 S306 G308 E309 F347 L379 L381 | L300-E304 PolarHBondContact O-N 3.08Å; D301-E304 WeakPolarHBondContact O-CB 3.37Å; D301-E304 PolarHBondContact O-N 3.07Å; E304-S306 VanDerWaalsContact C-N 3.26Å; E304-S306 PolarHBondContact O-N 3.41Å; E304-G308 CarbonylContact O-C 3.53Å; E304-G308 VanDerWaalsContact O-CA 3.29Å; E304-G308 WeakPolarHBondContact O-CA 3.38Å; E304-G308 PolarHBondContact O-N 3.44Å; E304-E309 PolarHBondContact O-N 3.5Å; E304-F347 HydrophobicContact CB-CE2 4.48Å; E304-F347 HydrophobicContact CG-CE2 3.63Å; E304-F347 HydrophobicContact CG-CZ 4.31Å; E304-L379 HydrophobicContact CB-CD1 3.76Å; E304-L379 HydrophobicContact CG-CD1 4.15Å; E304-L381 HydrophobicContact CG-CD1 4.11Å |
| 305 | H | 98.7 | Very high | 98.4 | Very high | 26 Ų | 26 | 29.1 Ų | 29.1 | 12% | 0.12 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -71.7 | -11.3 | 179 | -64.1 | 152.2 | 0 | 0 | 0 | 115.4 | Q259 V262 D301 E302 E309 | Q259-H305 HydrophobicContact CB-CB 4.06Å; V262-H305 VanDerWaalsContact CB-O 3.31Å; V262-H305 WeakPolarHBondContact CB-O 3.49Å; V262-H305 WeakPolarHBondContact CG2-O 3.42Å; D301-H305 PolarHBondContact O-N 3.4Å; D301-H305 PolarHBondContact O-ND1 3.19Å; D301-H305 VanDerWaalsContact O-ND1 3.12Å; D301-H305 IonicContact OD1-CE1 2.71Å; D301-H305 PolarHBondContact OD1-CE1 2.89Å; D301-H305 IonicContact OD1-ND1 3.52Å; D301-H305 IonicContact OD1-NE2 3.58Å; D301-H305 IonicContact OD2-CE1 2.82Å; D301-H305 PolarHBondContact OD2-CE1 3.49Å; D301-H305 VanDerWaalsContact OD2-CE1 3.27Å; D301-H305 IonicContact OD2-ND1 3.83Å; E302-H305 PolarHBondContact O-N 2.83Å; E302-H305 IonicContact OE2-CG 3.47Å; E302-H305 IonicContact OE2-ND1 2.76Å; E302-H305 PolarHBondContact OE2-ND1 3.29Å; E302-H305 VanDerWaalsContact OE2-ND1 3.15Å; H305-E309 WeakPolarHBondContact O-CB 3.3Å |
| 306 | S | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -115.1 | -70.7 | -179.4 | 57 | 0 | 0 | 0 | 0 | 112.7 | E302 L303 E304 S310 | E302-S306 VanDerWaalsContact O-CB 3.31Å; E302-S306 WeakPolarHBondContact O-CB 3.34Å; E302-S306 PolarHBondContact O-N 3.17Å; E302-S306 PolarHBondContact O-OG 3.13Å; L303-S306 PolarHBondContact O-N 2.88Å; L303-S306 PolarHBondContact O-OG 2.83Å; E304-S306 VanDerWaalsContact C-N 3.26Å; E304-S306 PolarHBondContact O-N 3.41Å; S306-S310 WeakPolarHBondContact O-CB 3.48Å; S306-S310 PolarHBondContact O-N 3.4Å; S306-S310 PolarHBondContact O-OG 3.46Å |
| 307 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -70.1 | -45.7 | 179.6 | -74 | 79.4 | 0 | 0 | 0 | 111.2 | V287 L303 S310 A311 V318 L320 F347 I348 | V287-L307 HydrophobicContact CB-CD1 4.2Å; V287-L307 HydrophobicContact CG1-CD1 4.18Å; V287-L307 HydrophobicContact CG1-CG 4.48Å; V287-L307 HydrophobicContact CG2-CD1 4.01Å; V287-L307 HydrophobicContact CG2-CG 4.24Å; L303-L307 HydrophobicContact CD2-CD1 3.95Å; L303-L307 PolarHBondContact O-N 3Å; L307-S310 WeakPolarHBondContact O-CB 3.42Å; L307-S310 PolarHBondContact O-N 3.36Å; L307-A311 PolarHBondContact O-N 3.1Å; L307-V318 HydrophobicContact CD2-CG2 4.29Å; L307-V318 HydrophobicContact CG-CG2 4.33Å; L307-L320 HydrophobicContact CD2-CD2 4.13Å; L307-F347 HydrophobicContact CB-CE1 3.66Å; L307-F347 HydrophobicContact CB-CZ 4.36Å; L307-F347 HydrophobicContact CD2-CD1 4.45Å; L307-F347 HydrophobicContact CD2-CE1 4.21Å; L307-F347 HydrophobicContact CG-CE1 4.48Å; L307-I348 HydrophobicContact CD2-CD1 3.46Å; L307-I348 VanDerWaalsContact CD2-CD1 3.46Å |
| 308 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -62 | -47.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L303 E304 S310 A311 A312 | L303-G308 PolarHBondContact O-N 2.89Å; L303-G308 VanDerWaalsContact O-N 3.11Å; E304-G308 CarbonylContact O-C 3.53Å; E304-G308 VanDerWaalsContact O-CA 3.29Å; E304-G308 WeakPolarHBondContact O-CA 3.38Å; E304-G308 PolarHBondContact O-N 3.44Å; G308-S310 VanDerWaalsContact C-N 3.31Å; G308-S310 PolarHBondContact O-N 3.01Å; G308-A311 PolarHBondContact O-N 2.7Å; G308-A312 WeakPolarHBondContact O-CB 3.48Å; G308-A312 PolarHBondContact O-N 3.14Å |
| 309 | E | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -54.4 | -46.1 | 174.5 | 177.6 | 54.9 | -139.9 | 0 | 0 | 111.3 | V262 Q263 E304 H305 A312 Q313 R371 | V262-E309 HydrophobicContact CB-CG 4.11Å; V262-E309 HydrophobicContact CG1-CB 4.16Å; V262-E309 HydrophobicContact CG1-CG 3.71Å; Q263-E309 VanDerWaalsContact CA-OE1 3.29Å; Q263-E309 WeakPolarHBondContact CA-OE1 3.36Å; Q263-E309 HydrophobicContact CB-CG 4.27Å; Q263-E309 WeakPolarHBondContact CB-OE1 3.47Å; Q263-E309 WeakPolarHBondContact CG-OE1 3.28Å; E304-E309 PolarHBondContact O-N 3.5Å; H305-E309 WeakPolarHBondContact O-CB 3.3Å; E309-A312 PolarHBondContact O-N 3.14Å; E309-Q313 PolarHBondContact O-N 2.8Å; E309-Q313 PolarHBondContact OE1-NE2 2.91Å; E309-R371 VanDerWaalsContact CD-NH1 3.32Å; E309-R371 PolarHBondContact O-NH2 3.01Å; E309-R371 IonicContact OE1-CZ 3.58Å; E309-R371 VanDerWaalsContact OE1-CZ 3.27Å; E309-R371 IonicContact OE1-NH1 3.85Å; E309-R371 PolarHBondContact OE1-NH1 2.93Å; E309-R371 IonicContact OE1-NH2 3.92Å; E309-R371 PolarHBondContact OE1-NH2 3.31Å; E309-R371 IonicContact OE2-CZ 3.89Å; E309-R371 VanDerWaalsContact OE2-CZ 3.29Å; E309-R371 IonicContact OE2-NH1 3.15Å; E309-R371 PolarHBondContact OE2-NH1 2.88Å; E309-R371 IonicContact OE2-NH2 3.15Å; E309-R371 PolarHBondContact OE2-NH2 3.27Å |
| 310 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.1 | -49.6 | 176.8 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | I246 S306 L307 G308 A312 Q313 A315 | I246-S310 WeakPolarHBondContact CD1-OG 3.35Å; S306-S310 WeakPolarHBondContact O-CB 3.48Å; S306-S310 PolarHBondContact O-N 3.4Å; S306-S310 PolarHBondContact O-OG 3.46Å; L307-S310 WeakPolarHBondContact O-CB 3.42Å; L307-S310 PolarHBondContact O-N 3.36Å; G308-S310 VanDerWaalsContact C-N 3.31Å; G308-S310 PolarHBondContact O-N 3.01Å; S310-A312 VanDerWaalsContact C-N 3.32Å; S310-A312 PolarHBondContact O-N 2.81Å; S310-Q313 PolarHBondContact O-N 3.45Å; S310-A315 WeakPolarHBondContact O-CB 3.35Å; S310-A315 PolarHBondContact O-N 2.96Å; S310-A315 VanDerWaalsContact O-N 3.11Å |
| 311 | A | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 3% | 0.033 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F32 L307 G308 Q313 G314 V351 | F32-A311 HydrophobicContact CD1-CB 4.01Å; F32-A311 HydrophobicContact CD2-CB 3.68Å; F32-A311 HydrophobicContact CE1-CB 4.02Å; F32-A311 HydrophobicContact CE2-CB 3.7Å; F32-A311 HydrophobicContact CG-CB 3.83Å; F32-A311 HydrophobicContact CZ-CB 3.86Å; L307-A311 PolarHBondContact O-N 3.1Å; G308-A311 PolarHBondContact O-N 2.7Å; A311-Q313 VanDerWaalsContact C-N 3.28Å; A311-Q313 PolarHBondContact O-N 2.78Å; A311-G314 WeakPolarHBondContact O-CA 3.28Å; A311-G314 PolarHBondContact O-N 3.22Å; A311-V351 HydrophobicContact CB-CG2 3.61Å |
| 312 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -70 | -17.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G308 E309 S310 G314 R371 A378 L379 F416 | G308-A312 WeakPolarHBondContact O-CB 3.48Å; G308-A312 PolarHBondContact O-N 3.14Å; E309-A312 PolarHBondContact O-N 3.14Å; S310-A312 VanDerWaalsContact C-N 3.32Å; S310-A312 PolarHBondContact O-N 2.81Å; A312-G314 VanDerWaalsContact C-N 3.33Å; A312-R371 HydrophobicContact CB-CG 4.36Å; A312-R371 PolarHBondContact O-N 3.01Å; A312-A378 VanDerWaalsContact CB-O 3.31Å; A312-A378 WeakPolarHBondContact CB-O 3.47Å; A312-L379 HydrophobicContact CB-CD2 4.16Å; A312-F416 HydrophobicContact CB-CE1 4.22Å |
| 313 | Q | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 8.9 Ų | 8.9 | 8% | 0.084 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -3.4 | 167.9 | -59.5 | -161.1 | 32.6 | 0 | 0 | 113.5 | Q263 V266 F270 E309 S310 A311 R419 | Q263-Q313 PolarHBondContact O-NE2 3.06Å; V266-Q313 HydrophobicContact CG1-CB 3.92Å; V266-Q313 HydrophobicContact CG1-CG 4.2Å; F270-Q313 HydrophobicContact CD2-CB 4.35Å; F270-Q313 HydrophobicContact CE2-CB 3.85Å; F270-Q313 WeakPolarHBondContact CE2-O 3.37Å; E309-Q313 PolarHBondContact O-N 2.8Å; E309-Q313 PolarHBondContact OE1-NE2 2.91Å; S310-Q313 PolarHBondContact O-N 3.45Å; A311-Q313 VanDerWaalsContact C-N 3.28Å; A311-Q313 PolarHBondContact O-N 2.78Å; Q313-R419 PolarHBondContact O-NH1 3.03Å; Q313-R419 VanDerWaalsContact O-NH1 3.11Å; Q313-R419 PolarHBondContact O-NH2 2.91Å |
| 314 | G | 98.5 | Very high | 97.8 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 4% | 0.041 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 25.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A311 A312 R368 | A311-G314 WeakPolarHBondContact O-CA 3.28Å; A311-G314 PolarHBondContact O-N 3.22Å; A312-G314 VanDerWaalsContact C-N 3.33Å; G314-R368 PolarHBondContact O-NH1 2.74Å; G314-R368 VanDerWaalsContact O-NH1 3.1Å |
| 315 | A | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | trans | -52.8 | 140.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F32 V283 P285 S310 G317 R368 | F32-A315 WeakPolarHBondContact CD2-O 3.48Å; F32-A315 HydrophobicContact CE2-CB 4.2Å; V283-A315 CarbonylContact O-C 3.45Å; P285-A315 HydrophobicContact CG-CB 4.48Å; S310-A315 WeakPolarHBondContact O-CB 3.35Å; S310-A315 PolarHBondContact O-N 2.96Å; S310-A315 VanDerWaalsContact O-N 3.11Å; A315-G317 PolarHBondContact O-N 3.3Å; A315-R368 PolarHBondContact O-NH1 2.77Å | ||
| 316 | A | 98.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -58.6 | -29.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L26 T33 P282 V283 L284 | L26-A316 HydrophobicContact CD1-CB 4.02Å; L26-A316 HydrophobicContact CG-CB 4.32Å; T33-A316 PolarHBondContact N-O 2.94Å; P282-A316 HydrophobicContact CB-CB 3.65Å; V283-A316 PolarHBondContact O-N 2.89Å; L284-A316 HydrophobicContact CD1-CB 3.76Å; L284-A316 HydrophobicContact CG-CB 3.93Å |
| 317 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.7 | -164.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T33 L284 P285 A315 | T33-G317 CarbonylContact O-C 3.5Å; T33-G317 WeakPolarHBondContact O-CA 3.2Å; L284-G317 WeakPolarHBondContact CA-O 3.37Å; P285-G317 WeakPolarHBondContact CD-O 3.34Å; A315-G317 PolarHBondContact O-N 3.3Å |
| 318 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148.2 | 170.6 | -75.2 | 0 | 0 | 0 | 0 | 109.8 | F32 T33 T34 V35 P285 V287 L307 L320 | F32-V318 HydrophobicContact CE1-CG2 3.98Å; F32-V318 HydrophobicContact CE2-CG1 3.89Å; F32-V318 HydrophobicContact CE2-CG2 4.42Å; F32-V318 HydrophobicContact CZ-CB 4.16Å; F32-V318 HydrophobicContact CZ-CG1 3.57Å; F32-V318 HydrophobicContact CZ-CG2 3.61Å; T33-V318 PolarHBondContact O-N 3.49Å; T34-V318 HydrophobicContact CG2-CG2 4.06Å; V35-V318 PolarHBondContact N-O 2.63Å; P285-V318 WeakPolarHBondContact O-CA 3.44Å; V287-V318 HydrophobicContact CG1-CG1 4.36Å; V287-V318 HydrophobicContact CG2-CB 4.31Å; L307-V318 HydrophobicContact CD2-CG2 4.29Å; L307-V318 HydrophobicContact CG-CG2 4.33Å; V318-L320 HydrophobicContact CG2-CD1 3.95Å |
| 319 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 112.5 | 169.4 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | V35 N37 M71 L125 P285 Y286 V287 W321 | V35-V319 HydrophobicContact CB-CG1 4.4Å; V35-V319 HydrophobicContact CB-CG2 4.29Å; V35-V319 HydrophobicContact CG1-CG1 4.44Å; V35-V319 HydrophobicContact CG2-CG2 4.47Å; N37-V319 HydrophobicContact CB-CG1 3.75Å; M71-V319 HydrophobicContact CE-CG1 3.71Å; M71-V319 HydrophobicContact CE-CG2 4.28Å; L125-V319 HydrophobicContact CD2-CG2 3.6Å; P285-V319 PolarHBondContact O-N 3.27Å; Y286-V319 WeakPolarHBondContact CA-O 3.19Å; Y286-V319 HydrophobicContact CD1-CB 4.11Å; Y286-V319 HydrophobicContact CD1-CG1 4Å; Y286-V319 HydrophobicContact CD2-CB 3.93Å; Y286-V319 HydrophobicContact CD2-CG1 4.49Å; Y286-V319 HydrophobicContact CD2-CG2 4.23Å; Y286-V319 HydrophobicContact CE1-CB 4.02Å; Y286-V319 HydrophobicContact CE1-CG1 3.53Å; Y286-V319 HydrophobicContact CE2-CB 3.84Å; Y286-V319 HydrophobicContact CE2-CG1 4.08Å; Y286-V319 HydrophobicContact CE2-CG2 3.86Å; Y286-V319 HydrophobicContact CG-CB 4.08Å; Y286-V319 HydrophobicContact CG-CG1 4.46Å; V287-V319 PolarHBondContact N-O 2.96Å; V319-W321 PolarHBondContact O-N 3.43Å |
| 320 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 94.3 | 176.8 | -61.3 | 89.7 | 0 | 0 | 0 | 108.8 | V35 W36 N37 F56 V287 I289 L307 V318 L344 I348 | V35-L320 WeakPolarHBondContact O-CD1 3.4Å; V35-L320 PolarHBondContact O-N 3.48Å; W36-L320 HydrophobicContact CE3-CB 3.91Å; W36-L320 HydrophobicContact CE3-CD2 4.28Å; W36-L320 HydrophobicContact CZ3-CB 4.21Å; W36-L320 HydrophobicContact CZ3-CD2 4.29Å; N37-L320 CarbonylContact C-O 3.53Å; N37-L320 VanDerWaalsContact CA-O 3.32Å; N37-L320 WeakPolarHBondContact CA-O 3.4Å; N37-L320 PolarHBondContact N-O 3.19Å; F56-L320 HydrophobicContact CD1-CD1 4.13Å; F56-L320 HydrophobicContact CE1-CD1 3.81Å; F56-L320 HydrophobicContact CE1-CD2 3.72Å; F56-L320 HydrophobicContact CE1-CG 4.33Å; F56-L320 HydrophobicContact CZ-CD2 4.22Å; V287-L320 HydrophobicContact CG2-CB 4.17Å; V287-L320 HydrophobicContact CG2-CD2 4.47Å; V287-L320 HydrophobicContact CG2-CG 3.68Å; V287-L320 WeakPolarHBondContact O-CA 3.21Å; I289-L320 HydrophobicContact CG2-CD2 4.14Å; L307-L320 HydrophobicContact CD2-CD2 4.13Å; V318-L320 HydrophobicContact CG2-CD1 3.95Å; L320-L344 HydrophobicContact CD2-CD1 4.07Å; L320-L344 HydrophobicContact CD2-CD2 4.31Å; L320-I348 HydrophobicContact CD1-CD1 4.49Å; L320-I348 HydrophobicContact CD2-CD1 4.13Å |
| 321 | W | 97.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 22% | 0.223 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 134.6 | 176.5 | 179.2 | 79.4 | 0 | 0 | 0 | 110.2 | N37 Y247 Y286 V287 Q288 V319 | N37-W321 WeakPolarHBondContact O-CA 3.33Å; Y247-W321 HydrophobicContact CE1-CB 4.49Å; Y247-W321 HydrophobicContact CE1-CE3 4.43Å; Y247-W321 AromaticContact CE2-CE3 3.77Å; Y247-W321 HydrophobicContact CE2-CE3 3.77Å; Y247-W321 AromaticContact CE2-CZ3 4Å; Y247-W321 HydrophobicContact CE2-CZ3 4Å; Y247-W321 AromaticContact CZ-CE3 3.57Å; Y247-W321 VanDerWaalsContact OH-CB 3.26Å; Y247-W321 WeakPolarHBondContact OH-CB 3.36Å; Y286-W321 HydrophobicContact CD1-CB 3.91Å; Y286-W321 HydrophobicContact CE1-CB 4.2Å; V287-W321 PolarHBondContact O-N 3.42Å; Q288-W321 HydrophobicContact CG-CE3 3.74Å; Q288-W321 HydrophobicContact CG-CZ3 4.21Å; Q288-W321 WeakPolarHBondContact CG-O 3.38Å; V319-W321 PolarHBondContact O-N 3.43Å |
| 322 | V | 96.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | trans | -125.1 | 122.9 | 173.2 | -177 | 0 | 0 | 0 | 0 | 108.7 | W36 N37 A38 I289 F290 N326 T327 I336 | W36-V322 HydrophobicContact CH2-CG2 3.57Å; W36-V322 HydrophobicContact CZ2-CG2 4.14Å; W36-V322 HydrophobicContact CZ3-CG2 3.91Å; N37-V322 PolarHBondContact O-N 2.85Å; N37-V322 VanDerWaalsContact O-N 3.11Å; A38-V322 HydrophobicContact CB-CB 3.52Å; A38-V322 HydrophobicContact CB-CG1 4.41Å; A38-V322 HydrophobicContact CB-CG2 3.66Å; I289-V322 HydrophobicContact CD1-CG2 4.21Å; I289-V322 HydrophobicContact CG1-CG2 4.26Å; F290-V322 HydrophobicContact CE2-CG1 4.15Å; V322-N326 HydrophobicContact CG1-CB 3.91Å; V322-T327 HydrophobicContact CG1-CG2 3.99Å; V322-I336 HydrophobicContact CG1-CD1 4.21Å | ||
| 323 | S | 92.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | trans | -57.4 | 148.9 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | E325 N326 T327 | S323-E325 PolarHBondContact O-N 3.3Å; S323-E325 VanDerWaalsContact O-N 3.17Å; S323-E325 PolarHBondContact OG-N 3.26Å; S323-N326 WeakPolarHBondContact CB-OD1 3.3Å; S323-N326 PolarHBondContact O-N 3.16Å; S323-N326 VanDerWaalsContact O-N 3.14Å; S323-T327 PolarHBondContact O-OG1 2.88Å | ||
| 324 | W | 90.2 | Very high | 96.6 | Very high | 139 Ų | 139 | 42.9 Ų | 42.9 | 53% | 0.527 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -57.9 | -26.9 | 170.4 | 66 | -96.6 | 0 | 0 | 0 | 111.2 | N326 T327 R328 | W324-N326 VanDerWaalsContact C-N 3.34Å; W324-N326 PolarHBondContact O-N 3.36Å; W324-T327 PolarHBondContact O-N 3.23Å; W324-T327 PolarHBondContact O-OG1 2.99Å; W324-R328 VanDerWaalsContact CE3-NH2 3.29Å; W324-R328 WeakPolarHBondContact O-CB 3.28Å; W324-R328 PolarHBondContact O-N 3.47Å |
| 325 | E | 92.3 | Very high | 96.6 | Very high | 111 Ų | 111 | 44.4 Ų | 44.4 | 52% | 0.519 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -61 | -42.5 | 177.3 | -72.3 | 179.6 | -164.7 | 0 | 0 | 111.6 | S323 T327 | S323-E325 PolarHBondContact O-N 3.3Å; S323-E325 VanDerWaalsContact O-N 3.17Å; S323-E325 PolarHBondContact OG-N 3.26Å; E325-T327 VanDerWaalsContact C-N 3.3Å; E325-T327 PolarHBondContact O-N 2.96Å |
| 326 | N | 94.1 | Very high | 96.6 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -80.8 | -7.7 | -178.6 | -54 | 100.2 | 0 | 0 | 0 | 113.5 | F290 T294 V322 S323 W324 S332 I336 | F290-N326 HydrophobicContact CD2-CB 4.13Å; F290-N326 HydrophobicContact CE2-CB 3.49Å; F290-N326 VanDerWaalsContact CE2-CB 3.49Å; F290-N326 HydrophobicContact CZ-CB 3.89Å; T294-N326 PolarHBondContact O-ND2 3.27Å; T294-N326 VanDerWaalsContact O-ND2 3.09Å; V322-N326 HydrophobicContact CG1-CB 3.91Å; S323-N326 WeakPolarHBondContact CB-OD1 3.3Å; S323-N326 PolarHBondContact O-N 3.16Å; S323-N326 VanDerWaalsContact O-N 3.14Å; W324-N326 VanDerWaalsContact C-N 3.34Å; W324-N326 PolarHBondContact O-N 3.36Å; N326-S332 WeakPolarHBondContact O-CB 3.41Å; N326-I336 HydrophobicContact CB-CD1 4.45Å; N326-I336 WeakPolarHBondContact O-CD1 3.12Å |
| 327 | T | 93.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -113.8 | 9.2 | 176.8 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | V322 S323 W324 E325 C333 I336 | V322-T327 HydrophobicContact CG1-CG2 3.99Å; S323-T327 PolarHBondContact O-OG1 2.88Å; W324-T327 PolarHBondContact O-N 3.23Å; W324-T327 PolarHBondContact O-OG1 2.99Å; E325-T327 VanDerWaalsContact C-N 3.3Å; E325-T327 PolarHBondContact O-N 2.96Å; T327-C333 PolarHBondContact O-SG 3.41Å; T327-C333 VanDerWaalsContact O-SG 3.39Å; T327-I336 HydrophobicContact CG2-CD1 3.89Å |
| 328 | R | 94.7 | Very high | 96.4 | Very high | 145 Ų | 145 | 51.8 Ų | 51.8 | 55% | 0.547 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -76 | -47.7 | -172.8 | 177.1 | 175.6 | -79.9 | -151.4 | -1.3 | 113.7 | H47 W324 | H47-R328 PolarHBondContact NE2-O 3.45Å; W324-R328 VanDerWaalsContact CE3-NH2 3.29Å; W324-R328 WeakPolarHBondContact O-CB 3.28Å; W324-R328 PolarHBondContact O-N 3.47Å |
| 329 | T | 97.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 52.6 Ų | 52.6 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -101.2 | 160.4 | -172 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | E331 S332 C333 | T329-E331 VanDerWaalsContact C-N 3.27Å; T329-E331 WeakPolarHBondContact CB-OE2 3.42Å; T329-E331 PolarHBondContact O-N 2.97Å; T329-E331 PolarHBondContact OG1-OE2 3.02Å; T329-S332 PolarHBondContact O-N 3.47Å; T329-S332 PolarHBondContact OG1-N 3.34Å; T329-S332 PolarHBondContact OG1-OG 3.13Å; T329-S332 VanDerWaalsContact OG1-OG 3.08Å; T329-C333 WeakPolarHBondContact O-CB 3.27Å; T329-C333 PolarHBondContact O-N 3.01Å; T329-C333 PolarHBondContact O-SG 2.98Å; T329-C333 VanDerWaalsContact O-SG 3.32Å |
| 330 | K | 98 | Very high | 96.3 | Very high | 114 Ų | 114 | 52.8 Ų | 52.8 | 50% | 0.496 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 176.8 | -178.6 | 171.8 | -177.3 | -180 | 0 | 111.1 | H47 V49 C333 Q334 | H47-K330 HydrophobicContact CB-CB 4.05Å; H47-K330 HydrophobicContact CB-CG 4.07Å; V49-K330 HydrophobicContact CG2-CG 4.17Å; K330-C333 PolarHBondContact O-N 3.39Å; K330-Q334 WeakPolarHBondContact O-CB 3.34Å; K330-Q334 PolarHBondContact O-N 3Å |
| 331 | E | 98.1 | Very high | 96.2 | Very high | 136 Ų | 136 | 55.4 Ų | 55.4 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.9 | -46.2 | 179.2 | -62.1 | 71.6 | -155.5 | 0 | 0 | 111.2 | T329 Q334 A335 | T329-E331 VanDerWaalsContact C-N 3.27Å; T329-E331 WeakPolarHBondContact CB-OE2 3.42Å; T329-E331 PolarHBondContact O-N 2.97Å; T329-E331 PolarHBondContact OG1-OE2 3.02Å; E331-Q334 PolarHBondContact O-N 3.4Å; E331-A335 WeakPolarHBondContact O-CB 3.48Å; E331-A335 PolarHBondContact O-N 2.89Å |
| 332 | S | 97.7 | Very high | 96.1 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 177.8 | -56.5 | 0 | 0 | 0 | 0 | 112 | N326 T329 Q334 A335 I336 | N326-S332 WeakPolarHBondContact O-CB 3.41Å; T329-S332 PolarHBondContact O-N 3.47Å; T329-S332 PolarHBondContact OG1-N 3.34Å; T329-S332 PolarHBondContact OG1-OG 3.13Å; T329-S332 VanDerWaalsContact OG1-OG 3.08Å; S332-Q334 VanDerWaalsContact C-N 3.35Å; S332-Q334 PolarHBondContact O-N 3.31Å; S332-A335 PolarHBondContact O-N 3.05Å; S332-I336 WeakPolarHBondContact O-CG1 3.5Å; S332-I336 PolarHBondContact O-N 3.4Å |
| 333 | C | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 173.9 | -72.5 | 0 | 0 | 0 | 0 | 112.2 | C43 V49 T327 T329 K330 I336 K337 | C43-C333 WeakPolarHBondContact CA-SG 3.4Å; C43-C333 HydrophobicContact CB-CB 3.54Å; C43-C333 WeakPolarHBondContact CB-SG 3.06Å; C43-C333 WeakPolarHBondContact SG-CB 3.41Å; C43-C333 CovalentContact SG-SG 2.03Å; C43-C333 PolarHBondContact SG-SG 3.38Å; V49-C333 HydrophobicContact CB-CB 4Å; V49-C333 HydrophobicContact CG1-CB 4.05Å; V49-C333 HydrophobicContact CG2-CB 4.21Å; T327-C333 PolarHBondContact O-SG 3.41Å; T327-C333 VanDerWaalsContact O-SG 3.39Å; T329-C333 WeakPolarHBondContact O-CB 3.27Å; T329-C333 PolarHBondContact O-N 3.01Å; T329-C333 PolarHBondContact O-SG 2.98Å; T329-C333 VanDerWaalsContact O-SG 3.32Å; K330-C333 PolarHBondContact O-N 3.39Å; C333-I336 PolarHBondContact O-N 3.47Å; C333-K337 PolarHBondContact O-N 2.96Å |
| 334 | Q | 98.3 | Very high | 96.5 | Very high | 72 Ų | 72 | 58.6 Ų | 58.6 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 178.4 | -177.6 | 60.3 | 37 | 0 | 0 | 111.3 | K330 E331 S332 I336 K337 E338 | K330-Q334 WeakPolarHBondContact O-CB 3.34Å; K330-Q334 PolarHBondContact O-N 3Å; E331-Q334 PolarHBondContact O-N 3.4Å; S332-Q334 VanDerWaalsContact C-N 3.35Å; S332-Q334 PolarHBondContact O-N 3.31Å; Q334-I336 VanDerWaalsContact C-N 3.33Å; Q334-I336 PolarHBondContact O-N 3.04Å; Q334-K337 WeakPolarHBondContact O-CB 3.36Å; Q334-K337 PolarHBondContact O-N 3.44Å; Q334-K337 VanDerWaalsContact O-N 3.17Å; Q334-E338 WeakPolarHBondContact CG-OE1 3.38Å; Q334-E338 PolarHBondContact NE2-OE1 3.12Å; Q334-E338 PolarHBondContact O-N 3.28Å |
| 335 | A | 98.3 | Very high | 96.9 | Very high | 35 Ų | 35 | 52 Ų | 52 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | F297 E331 S332 E338 Y339 | F297-A335 HydrophobicContact CE2-CB 3.8Å; F297-A335 HydrophobicContact CZ-CB 4.02Å; E331-A335 WeakPolarHBondContact O-CB 3.48Å; E331-A335 PolarHBondContact O-N 2.89Å; S332-A335 PolarHBondContact O-N 3.05Å; A335-E338 PolarHBondContact O-N 3.49Å; A335-Y339 VanDerWaalsContact O-CB 3.29Å; A335-Y339 WeakPolarHBondContact O-CB 3.3Å; A335-Y339 PolarHBondContact O-N 3Å |
| 336 | I | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 172.9 | -70.9 | 171.6 | 0 | 0 | 0 | 110.8 | W36 V51 I289 F290 F297 V322 N326 T327 S332 C333 Q334 Y339 M340 | W36-I336 HydrophobicContact CH2-CG2 4.5Å; W36-I336 HydrophobicContact CZ2-CG2 4.47Å; V51-I336 HydrophobicContact CG1-CG2 3.94Å; V51-I336 HydrophobicContact CG2-CG2 4.18Å; I289-I336 HydrophobicContact CD1-CG1 4.42Å; F290-I336 HydrophobicContact CE2-CD1 4.39Å; F290-I336 HydrophobicContact CE2-CG1 4.49Å; F290-I336 HydrophobicContact CZ-CD1 4.24Å; F290-I336 HydrophobicContact CZ-CG1 3.98Å; F297-I336 HydrophobicContact CE1-CG1 3.99Å; F297-I336 HydrophobicContact CZ-CG1 3.86Å; V322-I336 HydrophobicContact CG1-CD1 4.21Å; N326-I336 HydrophobicContact CB-CD1 4.45Å; N326-I336 WeakPolarHBondContact O-CD1 3.12Å; T327-I336 HydrophobicContact CG2-CD1 3.89Å; S332-I336 WeakPolarHBondContact O-CG1 3.5Å; S332-I336 PolarHBondContact O-N 3.4Å; C333-I336 PolarHBondContact O-N 3.47Å; Q334-I336 VanDerWaalsContact C-N 3.33Å; Q334-I336 PolarHBondContact O-N 3.04Å; I336-Y339 PolarHBondContact O-N 3.07Å; I336-M340 WeakPolarHBondContact O-CB 3.08Å; I336-M340 PolarHBondContact O-N 3.18Å |
| 337 | K | 97.3 | Very high | 97.4 | Very high | 55 Ų | 55 | 48 Ų | 48 | 24% | 0.239 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.5 | -50.8 | 176 | -178.7 | 177.4 | 174.5 | 47.5 | 0 | 111.1 | V49 D50 V51 C333 Q334 Y339 M340 D341 | V49-K337 HydrophobicContact CG1-CB 4.02Å; V49-K337 HydrophobicContact CG1-CD 4.1Å; D50-K337 WeakPolarHBondContact O-CD 3.22Å; D50-K337 VanDerWaalsContact O-CE 3.29Å; D50-K337 WeakPolarHBondContact O-CE 3.1Å; D50-K337 PolarHBondContact O-NZ 3.18Å; V51-K337 HydrophobicContact CG2-CB 4.09Å; C333-K337 PolarHBondContact O-N 2.96Å; Q334-K337 WeakPolarHBondContact O-CB 3.36Å; Q334-K337 PolarHBondContact O-N 3.44Å; Q334-K337 VanDerWaalsContact O-N 3.17Å; K337-Y339 PolarHBondContact O-N 2.92Å; K337-M340 WeakPolarHBondContact O-CB 3.46Å; K337-M340 PolarHBondContact O-N 3.04Å; K337-D341 IonicContact NZ-OD2 3.1Å; K337-D341 PolarHBondContact O-N 2.67Å |
| 338 | E | 97.2 | Very high | 97.6 | Very high | 103 Ų | 103 | 47.8 Ų | 47.8 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 179.5 | -71.7 | 168.7 | -160.3 | 0 | 0 | 111.5 | Q334 A335 M340 D341 T342 | Q334-E338 WeakPolarHBondContact CG-OE1 3.38Å; Q334-E338 PolarHBondContact NE2-OE1 3.12Å; Q334-E338 PolarHBondContact O-N 3.28Å; A335-E338 PolarHBondContact O-N 3.49Å; E338-M340 VanDerWaalsContact C-N 3.28Å; E338-M340 PolarHBondContact O-N 3.36Å; E338-D341 PolarHBondContact O-N 2.91Å; E338-T342 WeakPolarHBondContact O-CG2 3.41Å; E338-T342 PolarHBondContact O-N 2.94Å; E338-T342 PolarHBondContact O-OG1 2.91Å; E338-T342 VanDerWaalsContact O-OG1 3.07Å |
| 339 | Y | 98.3 | Very high | 97.8 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 7% | 0.071 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -35.2 | 176.6 | -177.4 | -101.8 | 0 | 0 | 0 | 112.9 | I289 F297 L298 L303 A335 I336 K337 T343 L344 | I289-Y339 HydrophobicContact CB-CE1 4.05Å; I289-Y339 HydrophobicContact CD1-CD1 4.29Å; I289-Y339 HydrophobicContact CD1-CE1 4.42Å; F297-Y339 HydrophobicContact CB-CD2 3.87Å; F297-Y339 HydrophobicContact CB-CE2 3.72Å; F297-Y339 HydrophobicContact CB-CG 4.5Å; F297-Y339 AromaticContact CD1-CD1 3.55Å; F297-Y339 HydrophobicContact CD1-CD1 3.55Å; F297-Y339 AromaticContact CD1-CD2 3.7Å; F297-Y339 HydrophobicContact CD1-CD2 3.7Å; F297-Y339 AromaticContact CD1-CE1 3.87Å; F297-Y339 HydrophobicContact CD1-CE1 3.87Å; F297-Y339 HydrophobicContact CD1-CE2 4.02Å; F297-Y339 AromaticContact CD1-CG 3.44Å; F297-Y339 HydrophobicContact CD1-CG 3.44Å; F297-Y339 VanDerWaalsContact CD1-CG 3.44Å; F297-Y339 AromaticContact CE1-CD1 3.78Å; F297-Y339 HydrophobicContact CE1-CD1 3.78Å; F297-Y339 HydrophobicContact CE1-CD2 4.36Å; F297-Y339 HydrophobicContact CE1-CE1 4.47Å; F297-Y339 AromaticContact CE1-CG 3.7Å; F297-Y339 HydrophobicContact CE1-CG 3.7Å; F297-Y339 HydrophobicContact CG-CD1 4.47Å; F297-Y339 AromaticContact CG-CD2 3.8Å; F297-Y339 HydrophobicContact CG-CD2 3.8Å; F297-Y339 HydrophobicContact CG-CE2 4.11Å; F297-Y339 AromaticContact CG-CG 3.99Å; F297-Y339 HydrophobicContact CG-CG 3.99Å; F297-Y339 HydrophobicContact CZ-CG 4.45Å; L298-Y339 WeakPolarHBondContact O-CE2 3.32Å; L298-Y339 PolarHBondContact O-OH 2.93Å; L303-Y339 WeakPolarHBondContact CD1-OH 3.18Å; A335-Y339 VanDerWaalsContact O-CB 3.29Å; A335-Y339 WeakPolarHBondContact O-CB 3.3Å; A335-Y339 PolarHBondContact O-N 3Å; I336-Y339 PolarHBondContact O-N 3.07Å; K337-Y339 PolarHBondContact O-N 2.92Å; Y339-T343 HydrophobicContact CD2-CG2 4.34Å; Y339-T343 HydrophobicContact CE2-CG2 3.69Å; Y339-T343 WeakPolarHBondContact O-CA 3.48Å; Y339-T343 WeakPolarHBondContact O-CB 3.26Å; Y339-T343 PolarHBondContact O-N 3.16Å; Y339-L344 HydrophobicContact CD1-CB 3.81Å; Y339-L344 HydrophobicContact CD1-CD2 4.38Å; Y339-L344 HydrophobicContact CE1-CB 3.59Å; Y339-L344 HydrophobicContact CE1-CD2 4.18Å; Y339-L344 HydrophobicContact CE1-CG 4.34Å; Y339-L344 PolarHBondContact O-N 3.36Å |
| 340 | M | 97.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -63.1 | -47.6 | 173.6 | -169.1 | 65.4 | 71.3 | 0 | 0 | 111.4 | W36 V51 D52 F56 I336 K337 E338 L344 G345 P346 | W36-M340 HydrophobicContact CE3-CE 4.4Å; W36-M340 HydrophobicContact CH2-CE 3.79Å; W36-M340 HydrophobicContact CZ2-CE 4.01Å; W36-M340 HydrophobicContact CZ3-CE 4.01Å; V51-M340 HydrophobicContact CG1-CB 4.25Å; V51-M340 HydrophobicContact CG1-CE 4.03Å; V51-M340 HydrophobicContact CG1-CG 4.34Å; D52-M340 WeakPolarHBondContact O-CG 3.41Å; F56-M340 HydrophobicContact CE2-CE 3.51Å; F56-M340 HydrophobicContact CE2-SD 3.72Å; F56-M340 HydrophobicContact CZ-CE 3.78Å; F56-M340 HydrophobicContact CZ-SD 3.92Å; I336-M340 WeakPolarHBondContact O-CB 3.08Å; I336-M340 PolarHBondContact O-N 3.18Å; K337-M340 WeakPolarHBondContact O-CB 3.46Å; K337-M340 PolarHBondContact O-N 3.04Å; E338-M340 VanDerWaalsContact C-N 3.28Å; E338-M340 PolarHBondContact O-N 3.36Å; M340-L344 HydrophobicContact CE-CD2 3.73Å; M340-L344 HydrophobicContact SD-CB 4.15Å; M340-L344 HydrophobicContact SD-CD2 3.85Å; M340-L344 HydrophobicContact SD-CG 4.02Å; M340-G345 VanDerWaalsContact O-CA 3.29Å; M340-G345 WeakPolarHBondContact O-CA 3.49Å; M340-G345 PolarHBondContact O-N 2.83Å; M340-P346 WeakPolarHBondContact O-CD 3.32Å |
| 341 | D | 95.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 36 Ų | 36 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -69.9 | -37.5 | -176.6 | -64.6 | -17.1 | 0 | 0 | 0 | 111.6 | K337 E338 | K337-D341 IonicContact NZ-OD2 3.1Å; K337-D341 PolarHBondContact O-N 2.67Å; E338-D341 PolarHBondContact O-N 2.91Å |
| 342 | T | 96 | Very high | 97.9 | Very high | 105 Ų | 105 | 29.9 Ų | 29.9 | 64% | 0.644 | 17% | 0.165 | S | C | * | . | I | π-helix | trans | -93.5 | -30.7 | -173.6 | 65.3 | 0 | 0 | 0 | 0 | 114.9 | E338 | E338-T342 WeakPolarHBondContact O-CG2 3.41Å; E338-T342 PolarHBondContact O-N 2.94Å; E338-T342 PolarHBondContact O-OG1 2.91Å; E338-T342 VanDerWaalsContact O-OG1 3.07Å |
| 343 | T | 98 | Very high | 97.9 | Very high | 33 Ų | 33 | 29 Ų | 29 | 20% | 0.202 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -130.7 | -64.3 | -164.6 | -49.5 | 0 | 0 | 0 | 0 | 111.9 | L300 L303 Y339 F347 | L300-T343 HydrophobicContact CB-CG2 4.39Å; L303-T343 HydrophobicContact CD1-CG2 3.94Å; Y339-T343 HydrophobicContact CD2-CG2 4.34Å; Y339-T343 HydrophobicContact CE2-CG2 3.69Å; Y339-T343 WeakPolarHBondContact O-CA 3.48Å; Y339-T343 WeakPolarHBondContact O-CB 3.26Å; Y339-T343 PolarHBondContact O-N 3.16Å; T343-F347 VanDerWaalsContact O-CB 3.27Å; T343-F347 WeakPolarHBondContact O-CB 3.37Å; T343-F347 PolarHBondContact O-N 3.15Å; T343-F347 VanDerWaalsContact O-N 3.16Å |
| 344 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -70.6 | -48.4 | -169.9 | -179.3 | 62.9 | 0 | 0 | 0 | 112.5 | W36 F56 I289 L303 L320 Y339 M340 F347 I348 | W36-L344 HydrophobicContact CH2-CD2 4.47Å; W36-L344 HydrophobicContact CZ3-CD2 3.97Å; F56-L344 HydrophobicContact CZ-CD2 4.12Å; F56-L344 HydrophobicContact CZ-CG 4.41Å; I289-L344 HydrophobicContact CD1-CD2 4.47Å; I289-L344 HydrophobicContact CG2-CD1 4.29Å; I289-L344 HydrophobicContact CG2-CD2 3.65Å; L303-L344 HydrophobicContact CD1-CD1 4.19Å; L303-L344 HydrophobicContact CD2-CD1 4.14Å; L320-L344 HydrophobicContact CD2-CD1 4.07Å; L320-L344 HydrophobicContact CD2-CD2 4.31Å; Y339-L344 HydrophobicContact CD1-CB 3.81Å; Y339-L344 HydrophobicContact CD1-CD2 4.38Å; Y339-L344 HydrophobicContact CE1-CB 3.59Å; Y339-L344 HydrophobicContact CE1-CD2 4.18Å; Y339-L344 HydrophobicContact CE1-CG 4.34Å; Y339-L344 PolarHBondContact O-N 3.36Å; M340-L344 HydrophobicContact CE-CD2 3.73Å; M340-L344 HydrophobicContact SD-CB 4.15Å; M340-L344 HydrophobicContact SD-CD2 3.85Å; M340-L344 HydrophobicContact SD-CG 4.02Å; L344-F347 PolarHBondContact O-N 3.4Å; L344-I348 HydrophobicContact CD1-CD1 4.17Å; L344-I348 HydrophobicContact CD1-CG1 3.91Å; L344-I348 HydrophobicContact CG-CG1 4.14Å; L344-I348 VanDerWaalsContact O-CG1 3.27Å; L344-I348 WeakPolarHBondContact O-CG1 3.14Å; L344-I348 PolarHBondContact O-N 3.04Å |
| 345 | G | 97.9 | Very high | 98 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.4 | -54.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M340 F347 I348 L349 L398 | M340-G345 VanDerWaalsContact O-CA 3.29Å; M340-G345 WeakPolarHBondContact O-CA 3.49Å; M340-G345 PolarHBondContact O-N 2.83Å; G345-F347 VanDerWaalsContact C-N 3.27Å; G345-F347 PolarHBondContact O-N 2.96Å; G345-I348 PolarHBondContact O-N 2.02Å; G345-L349 PolarHBondContact O-N 3.37Å; G345-L349 VanDerWaalsContact O-N 3.08Å; G345-L398 WeakPolarHBondContact O-CD1 3.33Å |
| 346 | P | 98.1 | Very high | 98 | Very high | 33 Ų | 33 | 25.7 Ų | 25.7 | 21% | 0.214 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.8 | -40.8 | 174.8 | -27.8 | 35.8 | 0 | 0 | 0 | 113 | M340 N350 I389 L398 | M340-P346 WeakPolarHBondContact O-CD 3.32Å; P346-N350 VanDerWaalsContact O-CB 3.25Å; P346-N350 WeakPolarHBondContact O-CB 3.28Å; P346-N350 PolarHBondContact O-N 2.87Å; P346-I389 HydrophobicContact CB-CG2 4.08Å; P346-I389 WeakPolarHBondContact O-CD1 3.44Å; P346-L398 HydrophobicContact CG-CD1 4.27Å; P346-L398 HydrophobicContact CG-CD2 4.35Å |
| 347 | F | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.1 | -42.1 | 177.8 | -178.1 | -92.1 | 0 | 0 | 0 | 112.9 | L300 L303 E304 L307 T343 L344 G345 N350 V351 L381 | L300-F347 HydrophobicContact CD1-CB 4.16Å; L300-F347 HydrophobicContact CD1-CD2 3.59Å; L300-F347 HydrophobicContact CD1-CE2 4.41Å; L300-F347 HydrophobicContact CD1-CG 4.16Å; L303-F347 HydrophobicContact CB-CD1 3.85Å; L303-F347 HydrophobicContact CB-CD2 4.27Å; L303-F347 HydrophobicContact CB-CE1 3.83Å; L303-F347 HydrophobicContact CB-CE2 4.21Å; L303-F347 HydrophobicContact CB-CG 4.08Å; L303-F347 HydrophobicContact CB-CZ 3.99Å; L303-F347 HydrophobicContact CD1-CB 4.07Å; L303-F347 HydrophobicContact CD1-CD1 4.11Å; L303-F347 HydrophobicContact CD1-CG 4.02Å; L303-F347 WeakPolarHBondContact O-CZ 3.43Å; E304-F347 HydrophobicContact CB-CE2 4.48Å; E304-F347 HydrophobicContact CG-CE2 3.63Å; E304-F347 HydrophobicContact CG-CZ 4.31Å; L307-F347 HydrophobicContact CB-CE1 3.66Å; L307-F347 HydrophobicContact CB-CZ 4.36Å; L307-F347 HydrophobicContact CD2-CD1 4.45Å; L307-F347 HydrophobicContact CD2-CE1 4.21Å; L307-F347 HydrophobicContact CG-CE1 4.48Å; T343-F347 VanDerWaalsContact O-CB 3.27Å; T343-F347 WeakPolarHBondContact O-CB 3.37Å; T343-F347 PolarHBondContact O-N 3.15Å; T343-F347 VanDerWaalsContact O-N 3.16Å; L344-F347 PolarHBondContact O-N 3.4Å; G345-F347 VanDerWaalsContact C-N 3.27Å; G345-F347 PolarHBondContact O-N 2.96Å; F347-N350 WeakPolarHBondContact O-CB 3.19Å; F347-N350 PolarHBondContact O-N 2.99Å; F347-V351 HydrophobicContact CD1-CG1 4.49Å; F347-V351 HydrophobicContact CE1-CB 4.32Å; F347-V351 HydrophobicContact CE1-CG1 4.11Å; F347-V351 HydrophobicContact CZ-CB 4.41Å; F347-V351 WeakPolarHBondContact O-CG1 3.3Å; F347-V351 PolarHBondContact O-N 2.82Å; F347-L381 HydrophobicContact CE2-CD2 3.98Å; F347-L381 HydrophobicContact CZ-CD2 4.42Å |
| 348 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -47 | 177.1 | -67.7 | -68.9 | 0 | 0 | 0 | 110.6 | T34 V55 F56 L307 L320 L344 G345 N350 T352 | T34-I348 HydrophobicContact CG2-CD1 4.14Å; T34-I348 HydrophobicContact CG2-CG2 4.11Å; V55-I348 HydrophobicContact CG1-CB 4.18Å; V55-I348 HydrophobicContact CG1-CG2 4.06Å; V55-I348 HydrophobicContact CG2-CB 4.13Å; V55-I348 HydrophobicContact CG2-CG2 3.92Å; F56-I348 HydrophobicContact CD1-CG2 4.31Å; F56-I348 HydrophobicContact CE1-CD1 3.89Å; F56-I348 HydrophobicContact CE1-CG1 3.78Å; F56-I348 HydrophobicContact CE1-CG2 4.37Å; F56-I348 HydrophobicContact CZ-CG1 4.24Å; L307-I348 HydrophobicContact CD2-CD1 3.46Å; L307-I348 VanDerWaalsContact CD2-CD1 3.46Å; L320-I348 HydrophobicContact CD1-CD1 4.49Å; L320-I348 HydrophobicContact CD2-CD1 4.13Å; L344-I348 HydrophobicContact CD1-CD1 4.17Å; L344-I348 HydrophobicContact CD1-CG1 3.91Å; L344-I348 HydrophobicContact CG-CG1 4.14Å; L344-I348 VanDerWaalsContact O-CG1 3.27Å; L344-I348 WeakPolarHBondContact O-CG1 3.14Å; L344-I348 PolarHBondContact O-N 3.04Å; G345-I348 PolarHBondContact O-N 2.02Å; I348-N350 VanDerWaalsContact C-N 3.28Å; I348-N350 PolarHBondContact O-N 3.32Å; I348-T352 HydrophobicContact CG2-CG2 4.25Å; I348-T352 WeakPolarHBondContact O-CB 3.12Å; I348-T352 VanDerWaalsContact O-CG2 3.24Å; I348-T352 WeakPolarHBondContact O-CG2 3.39Å; I348-T352 PolarHBondContact O-N 3.01Å; I348-T352 PolarHBondContact O-OG1 2.93Å |
| 349 | L | 98.2 | Very high | 98.2 | Very high | 30 Ų | 30 | 19.9 Ų | 19.9 | 16% | 0.157 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.7 | -36.7 | 177 | -175.5 | 60.1 | 0 | 0 | 0 | 111.8 | V55 G345 T352 S353 I389 L398 L400 | V55-L349 HydrophobicContact CG2-CB 3.9Å; G345-L349 PolarHBondContact O-N 3.37Å; G345-L349 VanDerWaalsContact O-N 3.08Å; L349-T352 PolarHBondContact O-OG1 2.76Å; L349-S353 WeakPolarHBondContact O-CB 3.33Å; L349-S353 PolarHBondContact O-N 3.34Å; L349-S353 VanDerWaalsContact O-N 3.09Å; L349-S353 PolarHBondContact O-OG 3.43Å; L349-I389 HydrophobicContact CB-CD1 4.32Å; L349-I389 HydrophobicContact CD2-CG1 4.29Å; L349-I389 HydrophobicContact CD2-CG2 3.98Å; L349-I389 HydrophobicContact CG-CD1 4.38Å; L349-L398 HydrophobicContact CD2-CB 3.74Å; L349-L400 HydrophobicContact CD2-CB 4.34Å |
| 350 | N | 98.5 | Very high | 98.2 | Very high | 35 Ų | 35 | 23.6 Ų | 23.6 | 19% | 0.187 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61 | -59.1 | 176.3 | -171.9 | -26.4 | 0 | 0 | 0 | 111.3 | P346 F347 I348 T352 S353 G354 L381 L382 I389 | P346-N350 VanDerWaalsContact O-CB 3.25Å; P346-N350 WeakPolarHBondContact O-CB 3.28Å; P346-N350 PolarHBondContact O-N 2.87Å; F347-N350 WeakPolarHBondContact O-CB 3.19Å; F347-N350 PolarHBondContact O-N 2.99Å; I348-N350 VanDerWaalsContact C-N 3.28Å; I348-N350 PolarHBondContact O-N 3.32Å; N350-T352 PolarHBondContact O-N 2.71Å; N350-S353 PolarHBondContact O-N 3.34Å; N350-G354 PolarHBondContact O-N 3.04Å; N350-L381 VanDerWaalsContact OD1-CA 3.3Å; N350-L381 WeakPolarHBondContact OD1-CA 3.47Å; N350-L382 PolarHBondContact OD1-N 3.21Å; N350-I389 HydrophobicContact CB-CD1 3.7Å |
| 351 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.9 | -37.9 | -175.7 | 70.6 | 0 | 0 | 0 | 0 | 113 | F32 A311 F347 A355 L381 | F32-V351 HydrophobicContact CD1-CG1 4.21Å; F32-V351 HydrophobicContact CD1-CG2 4.33Å; F32-V351 HydrophobicContact CE1-CG1 3.94Å; F32-V351 HydrophobicContact CE1-CG2 4.19Å; A311-V351 HydrophobicContact CB-CG2 3.61Å; F347-V351 HydrophobicContact CD1-CG1 4.49Å; F347-V351 HydrophobicContact CE1-CB 4.32Å; F347-V351 HydrophobicContact CE1-CG1 4.11Å; F347-V351 HydrophobicContact CZ-CB 4.41Å; F347-V351 WeakPolarHBondContact O-CG1 3.3Å; F347-V351 PolarHBondContact O-N 2.82Å; V351-A355 WeakPolarHBondContact O-CB 3.38Å; V351-A355 PolarHBondContact O-N 2.86Å; V351-L381 HydrophobicContact CB-CD2 4.2Å |
| 352 | T | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68 | -41.6 | 178.6 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | F32 T34 I348 L349 N350 L356 | F32-T352 HydrophobicContact CD1-CG2 4.2Å; T34-T352 HydrophobicContact CG2-CG2 3.71Å; I348-T352 HydrophobicContact CG2-CG2 4.25Å; I348-T352 WeakPolarHBondContact O-CB 3.12Å; I348-T352 VanDerWaalsContact O-CG2 3.24Å; I348-T352 WeakPolarHBondContact O-CG2 3.39Å; I348-T352 PolarHBondContact O-N 3.01Å; I348-T352 PolarHBondContact O-OG1 2.93Å; L349-T352 PolarHBondContact O-OG1 2.76Å; N350-T352 PolarHBondContact O-N 2.71Å; T352-L356 WeakPolarHBondContact O-CB 3.47Å; T352-L356 PolarHBondContact O-N 2.97Å |
| 353 | S | 98.6 | Very high | 98.5 | Very high | 16 Ų | 16 | 19.1 Ų | 19.1 | 11% | 0.112 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.4 | -42.2 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | L349 N350 A355 L356 L357 | L349-S353 WeakPolarHBondContact O-CB 3.33Å; L349-S353 PolarHBondContact O-N 3.34Å; L349-S353 VanDerWaalsContact O-N 3.09Å; L349-S353 PolarHBondContact O-OG 3.43Å; N350-S353 PolarHBondContact O-N 3.34Å; S353-A355 VanDerWaalsContact C-N 3.33Å; S353-A355 PolarHBondContact O-N 3.47Å; S353-L356 PolarHBondContact O-N 2.79Å; S353-L357 WeakPolarHBondContact O-CB 3.44Å; S353-L357 VanDerWaalsContact O-CG 3.3Å; S353-L357 WeakPolarHBondContact O-CG 3.14Å; S353-L357 PolarHBondContact O-N 2.9Å |
| 354 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | N350 C358 | N350-G354 PolarHBondContact O-N 3.04Å; G354-C358 WeakPolarHBondContact O-CB 2.99Å; G354-C358 PolarHBondContact O-N 3.47Å |
| 355 | A | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P31 F32 V351 S353 S359 L380 | P31-A355 VanDerWaalsContact CG-C 3.49Å; P31-A355 HydrophobicContact CG-CB 4.02Å; P31-A355 WeakPolarHBondContact CG-O 3.44Å; F32-A355 HydrophobicContact CB-CB 3.85Å; V351-A355 WeakPolarHBondContact O-CB 3.38Å; V351-A355 PolarHBondContact O-N 2.86Å; S353-A355 VanDerWaalsContact C-N 3.33Å; S353-A355 PolarHBondContact O-N 3.47Å; A355-S359 WeakPolarHBondContact O-CB 3.42Å; A355-S359 PolarHBondContact O-N 3.21Å; A355-L380 HydrophobicContact CB-CD1 4.23Å |
| 356 | L | 98.7 | Very high | 98.5 | Very high | 31 Ų | 31 | 24.6 Ų | 24.6 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.2 | -49 | 177.4 | 176.2 | 59 | 0 | 0 | 0 | 112.3 | N29 P31 T352 S353 C358 S359 Q360 | N29-L356 HydrophobicContact CB-CD1 3.95Å; N29-L356 HydrophobicContact CB-CD2 4.14Å; N29-L356 WeakPolarHBondContact O-CD1 3.33Å; P31-L356 HydrophobicContact CG-CB 4.34Å; T352-L356 WeakPolarHBondContact O-CB 3.47Å; T352-L356 PolarHBondContact O-N 2.97Å; S353-L356 PolarHBondContact O-N 2.79Å; L356-C358 VanDerWaalsContact C-N 3.35Å; L356-C358 PolarHBondContact O-N 3.29Å; L356-S359 WeakPolarHBondContact O-CB 3.23Å; L356-S359 PolarHBondContact O-N 2.99Å; L356-Q360 HydrophobicContact CD1-CG 4.25Å; L356-Q360 WeakPolarHBondContact O-CG 3.46Å; L356-Q360 PolarHBondContact O-N 3.19Å |
| 357 | L | 98.7 | Very high | 98.5 | Very high | 34 Ų | 34 | 23 Ų | 23 | 18% | 0.178 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | -179.3 | -73.1 | 173.5 | 0 | 0 | 0 | 111.3 | S353 S359 Q360 A361 L382 F387 L404 | S353-L357 WeakPolarHBondContact O-CB 3.44Å; S353-L357 VanDerWaalsContact O-CG 3.3Å; S353-L357 WeakPolarHBondContact O-CG 3.14Å; S353-L357 PolarHBondContact O-N 2.9Å; L357-S359 PolarHBondContact O-N 3.37Å; L357-Q360 PolarHBondContact O-N 3.02Å; L357-A361 VanDerWaalsContact O-CB 3.3Å; L357-A361 WeakPolarHBondContact O-CB 3.5Å; L357-A361 PolarHBondContact O-N 2.98Å; L357-L382 HydrophobicContact CD1-CD2 3.61Å; L357-F387 HydrophobicContact CD1-CE1 4.16Å; L357-F387 HydrophobicContact CD1-CE2 4.05Å; L357-F387 HydrophobicContact CD1-CZ 3.5Å; L357-F387 VanDerWaalsContact CD1-CZ 3.5Å; L357-L404 HydrophobicContact CB-CD2 4.27Å; L357-L404 HydrophobicContact CD1-CD1 4.38Å |
| 358 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 174.4 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | G354 L356 Q360 A361 L362 C369 L380 M412 | G354-C358 WeakPolarHBondContact O-CB 2.99Å; G354-C358 PolarHBondContact O-N 3.47Å; L356-C358 VanDerWaalsContact C-N 3.35Å; L356-C358 PolarHBondContact O-N 3.29Å; C358-Q360 VanDerWaalsContact C-N 3.3Å; C358-Q360 PolarHBondContact O-N 2.83Å; C358-A361 PolarHBondContact O-N 3.4Å; C358-L362 WeakPolarHBondContact O-CB 3.26Å; C358-L362 PolarHBondContact O-N 3.04Å; C358-C369 HydrophobicContact CB-CB 3.84Å; C358-C369 WeakPolarHBondContact CB-SG 3.39Å; C358-C369 PolarHBondContact O-SG 3.21Å; C358-C369 WeakPolarHBondContact SG-CB 3.34Å; C358-C369 CovalentContact SG-SG 2.03Å; C358-C369 PolarHBondContact SG-SG 2.77Å; C358-L380 HydrophobicContact CB-CD2 3.68Å; C358-M412 HydrophobicContact CB-CE 4.08Å; C358-M412 HydrophobicContact CB-CG 4.41Å; C358-M412 HydrophobicContact CB-SD 3.69Å |
| 359 | S | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.1 | -45.4 | 174.7 | 180 | 0 | 0 | 0 | 0 | 111.7 | A355 L356 L357 C363 S364 G365 G367 | A355-S359 WeakPolarHBondContact O-CB 3.42Å; A355-S359 PolarHBondContact O-N 3.21Å; L356-S359 WeakPolarHBondContact O-CB 3.23Å; L356-S359 PolarHBondContact O-N 2.99Å; L357-S359 PolarHBondContact O-N 3.37Å; S359-C363 CarbonylContact O-C 3.59Å; S359-C363 VanDerWaalsContact O-CA 3.28Å; S359-C363 WeakPolarHBondContact O-CA 3.49Å; S359-C363 VanDerWaalsContact O-CB 3.32Å; S359-C363 WeakPolarHBondContact O-CB 3.3Å; S359-C363 PolarHBondContact O-N 2.69Å; S359-C363 VanDerWaalsContact O-N 3.08Å; S359-S364 PolarHBondContact O-N 2.98Å; S359-G365 WeakPolarHBondContact O-CA 3.37Å; S359-G365 PolarHBondContact O-N 3.49Å; S359-G367 VanDerWaalsContact CB-O 3.31Å; S359-G367 WeakPolarHBondContact CB-O 3.44Å; S359-G367 PolarHBondContact OG-O 3.26Å |
| 360 | Q | 98.5 | Very high | 98.6 | Very high | 96 Ų | 96 | 23.3 Ų | 23.3 | 45% | 0.449 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -68.8 | -47.9 | 179 | -70.2 | 174.2 | -16.3 | 0 | 0 | 112.5 | L356 L357 C358 | L356-Q360 HydrophobicContact CD1-CG 4.25Å; L356-Q360 WeakPolarHBondContact O-CG 3.46Å; L356-Q360 PolarHBondContact O-N 3.19Å; L357-Q360 PolarHBondContact O-N 3.02Å; C358-Q360 VanDerWaalsContact C-N 3.3Å; C358-Q360 PolarHBondContact O-N 2.83Å |
| 361 | A | 98.4 | Very high | 98.6 | Very high | 49 Ų | 49 | 22.8 Ų | 22.8 | 41% | 0.405 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -75.7 | -39.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L357 C358 L404 Q409 | L357-A361 VanDerWaalsContact O-CB 3.3Å; L357-A361 WeakPolarHBondContact O-CB 3.5Å; L357-A361 PolarHBondContact O-N 2.98Å; C358-A361 PolarHBondContact O-N 3.4Å; A361-L404 HydrophobicContact CB-CD2 3.97Å; A361-Q409 HydrophobicContact CB-CG 4.23Å |
| 362 | L | 98.6 | Very high | 98.5 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 12% | 0.115 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -102.3 | -31.4 | -173.8 | -168.8 | 63.9 | 0 | 0 | 0 | 113.3 | C358 A413 F416 C418 W428 | C358-L362 WeakPolarHBondContact O-CB 3.26Å; C358-L362 PolarHBondContact O-N 3.04Å; L362-A413 HydrophobicContact CD1-CB 4Å; L362-F416 HydrophobicContact CD2-CB 3.86Å; L362-C418 PolarHBondContact O-SG 2.87Å; L362-C418 VanDerWaalsContact O-SG 3.35Å; L362-W428 HydrophobicContact CD1-CE3 4.13Å; L362-W428 HydrophobicContact CD1-CH2 4.48Å; L362-W428 HydrophobicContact CD1-CZ3 3.59Å; L362-W428 HydrophobicContact CG-CE3 4.39Å; L362-W428 HydrophobicContact CG-CZ3 4.09Å |
| 363 | C | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -116.3 | 22.9 | -171.5 | -52 | 0 | 0 | 0 | 0 | 113.3 | S359 G365 H366 C418 W428 C429 | S359-C363 CarbonylContact O-C 3.59Å; S359-C363 VanDerWaalsContact O-CA 3.28Å; S359-C363 WeakPolarHBondContact O-CA 3.49Å; S359-C363 VanDerWaalsContact O-CB 3.32Å; S359-C363 WeakPolarHBondContact O-CB 3.3Å; S359-C363 PolarHBondContact O-N 2.69Å; S359-C363 VanDerWaalsContact O-N 3.08Å; C363-G365 PolarHBondContact O-N 2.92Å; C363-H366 PolarHBondContact O-N 3.18Å; C363-C418 WeakPolarHBondContact CA-SG 3.07Å; C363-C418 HydrophobicContact CB-CB 3.81Å; C363-C418 WeakPolarHBondContact CB-SG 3.25Å; C363-C418 VanDerWaalsContact SG-CA 3.54Å; C363-C418 WeakPolarHBondContact SG-CB 3.42Å; C363-C418 CovalentContact SG-SG 2.04Å; C363-C418 PolarHBondContact SG-SG 3.49Å; C363-W428 CarbonylContact C-O 3.51Å; C363-W428 WeakPolarHBondContact CA-O 3Å; C363-C429 WeakPolarHBondContact O-CB 3.34Å |
| 364 | S | 98.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 35.7 Ų | 35.7 | 38% | 0.378 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 22.5 | 179.6 | -53.5 | 0 | 0 | 0 | 0 | 114.5 | S359 H366 W428 | S359-S364 PolarHBondContact O-N 2.98Å; S364-H366 PolarHBondContact O-CD2 3.07Å; S364-H366 PolarHBondContact O-N 3.49Å; S364-H366 PolarHBondContact O-NE2 3.16Å; S364-W428 PolarHBondContact OG-O 3.14Å |
| 365 | G | 98 | Very high | 98.4 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 32% | 0.32 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 9.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S359 C363 | S359-G365 WeakPolarHBondContact O-CA 3.37Å; S359-G365 PolarHBondContact O-N 3.49Å; C363-G365 PolarHBondContact O-N 2.92Å |
| 366 | H | 98.2 | Very high | 98.3 | Very high | 65 Ų | 65 | 42.3 Ų | 42.3 | 30% | 0.301 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -123.7 | 18.7 | -169.7 | -60.9 | -39.9 | 0 | 0 | 0 | 113.5 | C363 S364 Y421 W424 C429 | C363-H366 PolarHBondContact O-N 3.18Å; S364-H366 PolarHBondContact O-CD2 3.07Å; S364-H366 PolarHBondContact O-N 3.49Å; S364-H366 PolarHBondContact O-NE2 3.16Å; H366-Y421 VanDerWaalsContact O-CD2 3.24Å; H366-Y421 WeakPolarHBondContact O-CD2 3.44Å; H366-Y421 PolarHBondContact O-N 3.12Å; H366-W424 HydrophobicContact CB-CB 4.36Å; H366-W424 HydrophobicContact CB-CD2 3.46Å; H366-W424 VanDerWaalsContact CB-CD2 3.46Å; H366-W424 HydrophobicContact CB-CE3 3.85Å; H366-W424 HydrophobicContact CB-CG 3.69Å; H366-W424 HydrophobicContact CB-CZ2 4.2Å; H366-W424 HydrophobicContact CB-CZ3 4.35Å; H366-W424 AromaticContact CD2-CD2 3.89Å; H366-W424 AromaticContact CD2-CE2 3.75Å; H366-W424 AromaticContact CD2-CE3 3.61Å; H366-W424 AromaticContact CD2-CH2 3.08Å; H366-W424 WeakPolarHBondContact CD2-CH2 3.45Å; H366-W424 AromaticContact CD2-CZ2 3.39Å; H366-W424 WeakPolarHBondContact CD2-CZ2 3.4Å; H366-W424 AromaticContact CD2-CZ3 3.19Å; H366-W424 WeakPolarHBondContact CD2-CZ3 3.36Å; H366-W424 AromaticContact CE1-CH2 3.63Å; H366-W424 AromaticContact CE1-CZ2 3.39Å; H366-W424 WeakPolarHBondContact CE1-CZ2 3.19Å; H366-W424 AromaticContact CG-CD2 3.6Å; H366-W424 AromaticContact CG-CE2 3.36Å; H366-W424 AromaticContact CG-CE3 3.81Å; H366-W424 AromaticContact CG-CH2 3.62Å; H366-W424 AromaticContact CG-CZ2 3.4Å; H366-W424 AromaticContact CG-CZ3 3.81Å; H366-W424 AromaticContact CG-NE1 3.93Å; H366-W424 AromaticContact ND1-CE2 3.6Å; H366-W424 AromaticContact ND1-CH2 3.93Å; H366-W424 AromaticContact ND1-CZ2 3.4Å; H366-W424 WeakPolarHBondContact ND1-CZ2 3.25Å; H366-W424 AromaticContact ND1-NE1 3.96Å; H366-W424 AromaticContact NE2-CH2 3.08Å; H366-W424 WeakPolarHBondContact NE2-CH2 3.49Å; H366-W424 AromaticContact NE2-CZ2 3.38Å; H366-W424 WeakPolarHBondContact NE2-CZ2 3.42Å; H366-W424 AromaticContact NE2-CZ3 3.7Å; H366-C429 HydrophobicContact CB-CB 3.82Å; H366-C429 WeakPolarHBondContact CB-O 3.38Å; H366-C429 WeakPolarHBondContact O-CB 3.26Å |
| 367 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 173.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S359 R419 | S359-G367 VanDerWaalsContact CB-O 3.31Å; S359-G367 WeakPolarHBondContact CB-O 3.44Å; S359-G367 PolarHBondContact OG-O 3.26Å; G367-R419 CarbonylContact C-O 3.59Å; G367-R419 VanDerWaalsContact CA-O 3.32Å; G367-R419 WeakPolarHBondContact CA-O 3.28Å |
| 368 | R | 98.7 | Very high | 98.2 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 137.5 | 172.3 | -65.8 | 147.8 | 177.5 | -69.1 | -19.5 | 109.2 | P31 G314 A315 C418 R419 Y421 | P31-R368 HydrophobicContact CB-CG 4.21Å; P31-R368 PolarHBondContact O-NH1 3.41Å; P31-R368 PolarHBondContact O-NH2 2.69Å; G314-R368 PolarHBondContact O-NH1 2.74Å; G314-R368 VanDerWaalsContact O-NH1 3.1Å; A315-R368 PolarHBondContact O-NH1 2.77Å; R368-C418 WeakPolarHBondContact O-CA 3.2Å; R368-R419 PolarHBondContact N-O 3.38Å; R368-R419 PolarHBondContact O-N 3.24Å; R368-Y421 HydrophobicContact CG-CE1 3.76Å |
| 369 | C | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 133.5 | 162.2 | -72.3 | 0 | 0 | 0 | 0 | 109.8 | C358 L380 F416 K417 | C358-C369 HydrophobicContact CB-CB 3.84Å; C358-C369 WeakPolarHBondContact CB-SG 3.39Å; C358-C369 PolarHBondContact O-SG 3.21Å; C358-C369 WeakPolarHBondContact SG-CB 3.34Å; C358-C369 CovalentContact SG-SG 2.03Å; C358-C369 PolarHBondContact SG-SG 2.77Å; C369-L380 HydrophobicContact CB-CD1 4.02Å; C369-L380 HydrophobicContact CB-CD2 3.89Å; C369-F416 HydrophobicContact CB-CB 4.04Å; C369-F416 HydrophobicContact CB-CD1 4.09Å; C369-F416 HydrophobicContact CB-CG 4.19Å; C369-K417 CarbonylContact C-O 3.35Å; C369-K417 WeakPolarHBondContact CA-O 3.35Å |
| 370 | V | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.5 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | R372 K417 R419 | V370-R372 PolarHBondContact O-N 3.08Å; V370-K417 PolarHBondContact N-O 3.5Å; V370-K417 WeakPolarHBondContact O-CG 3.46Å; V370-K417 PolarHBondContact O-N 3.38Å; V370-R419 HydrophobicContact CG2-CB 3.7Å |
| 371 | R | 98.1 | Very high | 98.1 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.3 | 135.7 | 178.6 | -103.8 | 177.9 | -75.1 | 166.4 | -2.3 | 112.4 | E309 A312 H375 P376 A378 F416 | E309-R371 VanDerWaalsContact CD-NH1 3.32Å; E309-R371 PolarHBondContact O-NH2 3.01Å; E309-R371 IonicContact OE1-CZ 3.58Å; E309-R371 VanDerWaalsContact OE1-CZ 3.27Å; E309-R371 IonicContact OE1-NH1 3.85Å; E309-R371 PolarHBondContact OE1-NH1 2.93Å; E309-R371 IonicContact OE1-NH2 3.92Å; E309-R371 PolarHBondContact OE1-NH2 3.31Å; E309-R371 IonicContact OE2-CZ 3.89Å; E309-R371 VanDerWaalsContact OE2-CZ 3.29Å; E309-R371 IonicContact OE2-NH1 3.15Å; E309-R371 PolarHBondContact OE2-NH1 2.88Å; E309-R371 IonicContact OE2-NH2 3.15Å; E309-R371 PolarHBondContact OE2-NH2 3.27Å; A312-R371 HydrophobicContact CB-CG 4.36Å; A312-R371 PolarHBondContact O-N 3.01Å; R371-H375 WeakPolarHBondContact CD-O 3.39Å; R371-H375 WeakPolarHBondContact CG-O 3.42Å; R371-P376 WeakPolarHBondContact CD-O 3.26Å; R371-P376 PolarHBondContact NH1-O 3.16Å; R371-A378 WeakPolarHBondContact CD-O 3.35Å; R371-A378 HydrophobicContact CG-CB 4.02Å; R371-A378 WeakPolarHBondContact CG-O 3.5Å; R371-A378 PolarHBondContact NE-O 2.69Å; R371-F416 HydrophobicContact CG-CE1 3.94Å |
| 372 | R | 98.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 44.3 Ų | 44.3 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | trans | -72.9 | 146 | 162.4 | -68.3 | -179.9 | -173.7 | -88.3 | -4.7 | 109 | V370 S374 H375 A413 V414 E415 F416 K417 | V370-R372 PolarHBondContact O-N 3.08Å; R372-S374 PolarHBondContact O-N 3.37Å; R372-S374 VanDerWaalsContact O-N 3.16Å; R372-H375 CarbonylContact O-C 3.46Å; R372-H375 PolarHBondContact O-N 3.44Å; R372-A413 PolarHBondContact NE-O 3.42Å; R372-V414 VanDerWaalsContact CD-O 3.28Å; R372-V414 WeakPolarHBondContact CD-O 3.23Å; R372-E415 WeakPolarHBondContact CB-O 3.15Å; R372-E415 WeakPolarHBondContact CG-O 3.46Å; R372-E415 PolarHBondContact N-O 2.97Å; R372-F416 VanDerWaalsContact CZ-O 3.31Å; R372-F416 PolarHBondContact NE-O 3.37Å; R372-F416 PolarHBondContact NH2-O 2.88Å; R372-F416 VanDerWaalsContact NH2-O 3.1Å; R372-K417 HydrophobicContact CG-CB 4.17Å; R372-K417 HydrophobicContact CG-CG 4.3Å | ||
| 373 | T | 96.6 | Very high | 98.1 | Very high | 135 Ų | 135 | 45.9 Ų | 45.9 | 83% | 0.828 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -21.5 | 177.8 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | H375 | T373-H375 VanDerWaalsContact C-N 3.28Š|
| 374 | S | 97.6 | Very high | 98 | Very high | 81 Ų | 81 | 51.5 Ų | 51.5 | 57% | 0.566 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -15.8 | 172.9 | 54.6 | 0 | 0 | 0 | 0 | 114 | R372 | R372-S374 PolarHBondContact O-N 3.37Å; R372-S374 VanDerWaalsContact O-N 3.16Å |
| 375 | H | 98.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 53.3 Ų | 53.3 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | trans | -127.1 | 67.4 | -179.7 | -60.5 | 96.5 | 0 | 0 | 0 | 110 | R371 R372 T373 K377 A378 V414 E415 | R371-H375 WeakPolarHBondContact CD-O 3.39Å; R371-H375 WeakPolarHBondContact CG-O 3.42Å; R372-H375 CarbonylContact O-C 3.46Å; R372-H375 PolarHBondContact O-N 3.44Å; T373-H375 VanDerWaalsContact C-N 3.28Å; H375-K377 PolarHBondContact O-N 3.39Å; H375-A378 HydrophobicContact CB-CB 4Å; H375-A378 PolarHBondContact O-N 3.27Å; H375-V414 VanDerWaalsContact CE1-CG1 3.48Å; H375-V414 WeakPolarHBondContact CE1-CG1 3.45Å; H375-V414 PolarHBondContact CE1-O 2.9Å; H375-V414 PolarHBondContact ND1-O 3.39Å; H375-V414 VanDerWaalsContact ND1-O 3.11Å; H375-E415 HydrophobicContact CB-CB 4.44Å; H375-E415 HydrophobicContact CB-CG 4.38Å | ||
| 376 | P | 96.9 | Very high | 97.9 | Very high | 88 Ų | 88 | 53 Ų | 53 | 57% | 0.571 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -13.4 | -167.7 | 27.2 | -36.4 | 0 | 0 | 0 | 114.4 | R371 | R371-P376 WeakPolarHBondContact CD-O 3.26Å; R371-P376 PolarHBondContact NH1-O 3.16Å |
| 377 | K | 97.6 | Very high | 97.9 | Very high | 145 Ų | 145 | 50.9 Ų | 50.9 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 1.8 | -177.8 | -63.6 | -171.7 | 172.3 | -166.4 | 0 | 114.6 | H375 | H375-K377 PolarHBondContact O-N 3.39Š|
| 378 | A | 98.3 | Very high | 97.8 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | trans | -62.7 | 140.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A312 R371 H375 E415 F416 | A312-A378 VanDerWaalsContact CB-O 3.31Å; A312-A378 WeakPolarHBondContact CB-O 3.47Å; R371-A378 WeakPolarHBondContact CD-O 3.35Å; R371-A378 HydrophobicContact CG-CB 4.02Å; R371-A378 WeakPolarHBondContact CG-O 3.5Å; R371-A378 PolarHBondContact NE-O 2.69Å; H375-A378 HydrophobicContact CB-CB 4Å; H375-A378 PolarHBondContact O-N 3.27Å; A378-E415 HydrophobicContact CB-CB 3.8Å; A378-E415 HydrophobicContact CB-CG 3.98Å; A378-F416 HydrophobicContact CB-CE2 4.17Å; A378-F416 HydrophobicContact CB-CZ 3.91Å | ||
| 379 | L | 98.6 | Very high | 97.8 | Very high | 31 Ų | 31 | 54 Ų | 54 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | trans | -120.3 | 155.1 | -178.1 | -60.4 | -178.3 | 0 | 0 | 0 | 111.1 | E304 A312 L381 F416 | E304-L379 HydrophobicContact CB-CD1 3.76Å; E304-L379 HydrophobicContact CG-CD1 4.15Å; A312-L379 HydrophobicContact CB-CD2 4.16Å; L379-L381 HydrophobicContact CB-CD1 4.1Å; L379-L381 HydrophobicContact CB-CG 4.03Å; L379-L381 HydrophobicContact CD1-CD1 4.06Å; L379-L381 PolarHBondContact O-N 3.07Å; L379-F416 WeakPolarHBondContact O-CZ 3.16Å | ||
| 380 | L | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | trans | -94.3 | 73.7 | 177.9 | -70.2 | 168.9 | 0 | 0 | 0 | 109.9 | A355 C358 C369 F416 | A355-L380 HydrophobicContact CB-CD1 4.23Å; C358-L380 HydrophobicContact CB-CD2 3.68Å; C369-L380 HydrophobicContact CB-CD1 4.02Å; C369-L380 HydrophobicContact CB-CD2 3.89Å; L380-F416 HydrophobicContact CD1-CE1 4.22Å; L380-F416 HydrophobicContact CD2-CD1 3.85Å; L380-F416 HydrophobicContact CD2-CD2 3.94Å; L380-F416 HydrophobicContact CD2-CE1 3.6Å; L380-F416 HydrophobicContact CD2-CE2 3.69Å; L380-F416 HydrophobicContact CD2-CG 4.03Å; L380-F416 HydrophobicContact CD2-CZ 3.53Å; L380-F416 HydrophobicContact CG-CD1 4.22Å; L380-F416 HydrophobicContact CG-CE1 3.59Å; L380-F416 HydrophobicContact CG-CE2 4.34Å; L380-F416 HydrophobicContact CG-CZ 3.68Å | ||
| 381 | L | 97.9 | Very high | 97 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | trans | -116.2 | 154 | -179.7 | -59.5 | 175.2 | 0 | 0 | 0 | 111 | E304 F347 N350 V351 L379 | E304-L381 HydrophobicContact CG-CD1 4.11Å; F347-L381 HydrophobicContact CE2-CD2 3.98Å; F347-L381 HydrophobicContact CZ-CD2 4.42Å; N350-L381 VanDerWaalsContact OD1-CA 3.3Å; N350-L381 WeakPolarHBondContact OD1-CA 3.47Å; V351-L381 HydrophobicContact CB-CD2 4.2Å; L379-L381 HydrophobicContact CB-CD1 4.1Å; L379-L381 HydrophobicContact CB-CG 4.03Å; L379-L381 HydrophobicContact CD1-CD1 4.06Å; L379-L381 PolarHBondContact O-N 3.07Å | ||
| 382 | L | 98.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 63 Ų | 63 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | trans | -75.9 | 135.3 | 172.2 | -55.7 | -176.6 | 0 | 0 | 0 | 110.3 | N350 L357 F387 I389 L400 | N350-L382 PolarHBondContact OD1-N 3.21Å; L357-L382 HydrophobicContact CD1-CD2 3.61Å; L382-F387 HydrophobicContact CB-CB 4.2Å; L382-F387 HydrophobicContact CB-CD2 3.97Å; L382-F387 HydrophobicContact CB-CG 4.28Å; L382-F387 HydrophobicContact CD1-CB 4.17Å; L382-F387 HydrophobicContact CD1-CD1 4.49Å; L382-F387 HydrophobicContact CD1-CD2 4.45Å; L382-F387 HydrophobicContact CD1-CG 4.14Å; L382-F387 HydrophobicContact CD2-CD2 4.09Å; L382-F387 HydrophobicContact CD2-CE2 4.08Å; L382-F387 HydrophobicContact CD2-CZ 4.5Å; L382-F387 HydrophobicContact CG-CD2 4.41Å; L382-I389 HydrophobicContact CD1-CD1 4.34Å; L382-L400 HydrophobicContact CD1-CD1 3.45Å; L382-L400 VanDerWaalsContact CD1-CD1 3.45Å; L382-L400 HydrophobicContact CD1-CD2 3.97Å; L382-L400 HydrophobicContact CD1-CG 4.38Å | ||
| 383 | N | 97.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 65.8 Ų | 65.8 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | trans | -71.5 | 123.1 | 172.6 | -177.1 | -10.5 | 0 | 0 | 0 | 110.4 | A385 S386 F387 D408 | N383-A385 PolarHBondContact O-N 3.45Å; N383-A385 WeakPolarHBondContact OD1-CB 3.41Å; N383-A385 PolarHBondContact OD1-N 2.93Å; N383-S386 PolarHBondContact O-N 2.86Å; N383-F387 PolarHBondContact O-N 3.37Å; N383-D408 WeakPolarHBondContact CB-OD1 3.48Å; N383-D408 PolarHBondContact ND2-OD1 3.36Å | ||
| 384 | P | 96.9 | Very high | 95.1 | Very high | 117 Ų | 117 | 63.6 Ų | 63.6 | 76% | 0.76 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.8 | 179.8 | 27.6 | -35.9 | 0 | 0 | 0 | 113.9 | ||
| 385 | A | 97.3 | Very high | 94.1 | Very high | 92 Ų | 92 | 62.4 Ų | 62.4 | 76% | 0.76 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -25.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N383 | N383-A385 PolarHBondContact O-N 3.45Å; N383-A385 WeakPolarHBondContact OD1-CB 3.41Å; N383-A385 PolarHBondContact OD1-N 2.93Å |
| 386 | S | 97.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 60.8 Ų | 60.8 | 18% | 0.175 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -28.2 | -177.3 | -57.3 | 0 | 0 | 0 | 0 | 113 | N383 G402 A403 D408 | N383-S386 PolarHBondContact O-N 2.86Å; S386-G402 VanDerWaalsContact O-CA 3.3Å; S386-G402 WeakPolarHBondContact O-CA 3.45Å; S386-A403 PolarHBondContact O-N 3.19Å; S386-D408 WeakPolarHBondContact CB-OD2 3.48Å; S386-D408 PolarHBondContact OG-OD2 3.49Å |
| 387 | F | 98.1 | Very high | 93 | Very high | 21 Ų | 21 | 60.2 Ų | 60.2 | 9% | 0.092 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150.6 | -174.6 | -67.7 | -83.4 | 0 | 0 | 0 | 113.1 | L357 L382 N383 L400 R401 L404 | L357-F387 HydrophobicContact CD1-CE1 4.16Å; L357-F387 HydrophobicContact CD1-CE2 4.05Å; L357-F387 HydrophobicContact CD1-CZ 3.5Å; L357-F387 VanDerWaalsContact CD1-CZ 3.5Å; L382-F387 HydrophobicContact CB-CB 4.2Å; L382-F387 HydrophobicContact CB-CD2 3.97Å; L382-F387 HydrophobicContact CB-CG 4.28Å; L382-F387 HydrophobicContact CD1-CB 4.17Å; L382-F387 HydrophobicContact CD1-CD1 4.49Å; L382-F387 HydrophobicContact CD1-CD2 4.45Å; L382-F387 HydrophobicContact CD1-CG 4.14Å; L382-F387 HydrophobicContact CD2-CD2 4.09Å; L382-F387 HydrophobicContact CD2-CE2 4.08Å; L382-F387 HydrophobicContact CD2-CZ 4.5Å; L382-F387 HydrophobicContact CG-CD2 4.41Å; N383-F387 PolarHBondContact O-N 3.37Å; F387-L400 HydrophobicContact CB-CD1 4Å; F387-L400 HydrophobicContact CD1-CD1 3.8Å; F387-L400 HydrophobicContact CD1-CD2 4.24Å; F387-L400 HydrophobicContact CD1-CG 4.03Å; F387-L400 HydrophobicContact CE1-CD2 4.38Å; F387-L400 HydrophobicContact CG-CD1 4.22Å; F387-R401 CarbonylContact C-O 3.59Å; F387-R401 VanDerWaalsContact CA-O 3.24Å; F387-R401 WeakPolarHBondContact CA-O 3.2Å; F387-L404 HydrophobicContact CE2-CB 4.28Å; F387-L404 HydrophobicContact CE2-CD1 4.08Å; F387-L404 HydrophobicContact CZ-CB 4Å; F387-L404 HydrophobicContact CZ-CD1 4.49Å |
| 388 | S | 97.4 | Very high | 92.9 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 33% | 0.329 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.3 | 169.8 | -167.7 | 0 | 0 | 0 | 0 | 109.9 | Q390 R401 | S388-Q390 PolarHBondContact OG-NE2 3.44Å; S388-R401 PolarHBondContact N-O 2.98Å; S388-R401 PolarHBondContact O-N 2.63Å |
| 389 | I | 96.9 | Very high | 92.7 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 23% | 0.226 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.2 | 171.8 | -65.8 | 172.6 | 0 | 0 | 0 | 107.5 | P346 L349 N350 L382 L398 S399 L400 | P346-I389 HydrophobicContact CB-CG2 4.08Å; P346-I389 WeakPolarHBondContact O-CD1 3.44Å; L349-I389 HydrophobicContact CB-CD1 4.32Å; L349-I389 HydrophobicContact CD2-CG1 4.29Å; L349-I389 HydrophobicContact CD2-CG2 3.98Å; L349-I389 HydrophobicContact CG-CD1 4.38Å; N350-I389 HydrophobicContact CB-CD1 3.7Å; L382-I389 HydrophobicContact CD1-CD1 4.34Å; I389-L398 HydrophobicContact CG2-CB 4.45Å; I389-L398 HydrophobicContact CG2-CD2 4.07Å; I389-S399 WeakPolarHBondContact CA-O 3.39Å; I389-L400 HydrophobicContact CG1-CD1 3.76Å |
| 390 | Q | 92.6 | Very high | 92.6 | Very high | 110 Ų | 110 | 55.8 Ų | 55.8 | 51% | 0.514 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 139.8 | -176.4 | -60.9 | -178.8 | 6.4 | 0 | 0 | 110.8 | S388 S399 | S388-Q390 PolarHBondContact OG-NE2 3.44Å; Q390-S399 PolarHBondContact N-O 2.94Å; Q390-S399 PolarHBondContact O-N 3.08Å; Q390-S399 PolarHBondContact O-OG 2.88Å |
| 391 | L | 89.1 | Confident | 92.5 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 43% | 0.429 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.9 | 169.3 | -162.9 | 69.7 | 0 | 0 | 0 | 109.1 | G396 L398 | L391-G396 WeakPolarHBondContact CD1-O 3.45Å; L391-L398 HydrophobicContact CB-CD2 4.26Å; L391-L398 HydrophobicContact CD1-CD2 3.93Å; L391-L398 HydrophobicContact CD1-CG 4.29Å |
| 392 | T | 87.9 | Confident | 92.4 | Very high | 38 Ų | 38 | 63.1 Ų | 63.1 | 23% | 0.233 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 141.6 | 178.8 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | G394 G395 G396 P397 | T392-G394 PolarHBondContact O-N 3.01Å; T392-G395 PolarHBondContact O-N 3.34Å; T392-G395 VanDerWaalsContact O-N 3.16Å; T392-G396 WeakPolarHBondContact OG1-CA 3.25Å; T392-G396 PolarHBondContact OG1-N 2.86Å; T392-G396 PolarHBondContact OG1-O 3.17Å; T392-G396 VanDerWaalsContact OG1-O 3.08Å; T392-P397 WeakPolarHBondContact CG2-O 3.27Å; T392-P397 PolarHBondContact N-O 3.21Å; T392-P397 PolarHBondContact OG1-O 3.11Å |
| 393 | P | 84.8 | Confident | 92.4 | Very high | 134 Ų | 134 | 65.8 Ų | 65.8 | 87% | 0.87 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 134 | 179.3 | -27 | 34.6 | 0 | 0 | 0 | 111.8 | ||
| 394 | G | 80.4 | Confident | 92.4 | Very high | 89 Ų | 89 | 64.7 Ų | 64.7 | 92% | 0.918 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | 5.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T392 | T392-G394 PolarHBondContact O-N 3.01Š|
| 395 | G | 76.9 | Confident | 92.5 | Very high | 57 Ų | 57 | 61 Ų | 61 | 59% | 0.588 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 26.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T392 | T392-G395 PolarHBondContact O-N 3.34Å; T392-G395 VanDerWaalsContact O-N 3.16Å |
| 396 | G | 82.6 | Confident | 92.5 | Very high | 23 Ų | 23 | 63.3 Ų | 63.3 | 24% | 0.237 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 177.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L391 T392 | L391-G396 WeakPolarHBondContact CD1-O 3.45Å; T392-G396 WeakPolarHBondContact OG1-CA 3.25Å; T392-G396 PolarHBondContact OG1-N 2.86Å; T392-G396 PolarHBondContact OG1-O 3.17Å; T392-G396 VanDerWaalsContact OG1-O 3.08Å |
| 397 | P | 89.6 | Confident | 92.5 | Very high | 75 Ų | 75 | 69.4 Ų | 69.4 | 49% | 0.487 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 158.4 | -178.9 | -24.8 | 34.1 | 0 | 0 | 0 | 113 | T392 S399 | T392-P397 WeakPolarHBondContact CG2-O 3.27Å; T392-P397 PolarHBondContact N-O 3.21Å; T392-P397 PolarHBondContact OG1-O 3.11Å; P397-S399 PolarHBondContact O-N 3.37Å |
| 398 | L | 93.7 | Very high | 92.5 | Very high | 28 Ų | 28 | 69.1 Ų | 69.1 | 15% | 0.147 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 138.4 | 168.1 | -69.3 | 167 | 0 | 0 | 0 | 110.5 | V55 G345 P346 L349 I389 L391 | V55-L398 HydrophobicContact CG2-CD1 4.24Å; G345-L398 WeakPolarHBondContact O-CD1 3.33Å; P346-L398 HydrophobicContact CG-CD1 4.27Å; P346-L398 HydrophobicContact CG-CD2 4.35Å; L349-L398 HydrophobicContact CD2-CB 3.74Å; I389-L398 HydrophobicContact CG2-CB 4.45Å; I389-L398 HydrophobicContact CG2-CD2 4.07Å; L391-L398 HydrophobicContact CB-CD2 4.26Å; L391-L398 HydrophobicContact CD1-CD2 3.93Å; L391-L398 HydrophobicContact CD1-CG 4.29Å |
| 399 | S | 94.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 70.4 Ų | 70.4 | 12% | 0.119 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.1 | 177.7 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | I389 Q390 P397 | I389-S399 WeakPolarHBondContact CA-O 3.39Å; Q390-S399 PolarHBondContact N-O 2.94Å; Q390-S399 PolarHBondContact O-N 3.08Å; Q390-S399 PolarHBondContact O-OG 2.88Å; P397-S399 PolarHBondContact O-N 3.37Å |
| 400 | L | 96.7 | Very high | 92.6 | Very high | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.267 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 132.2 | 173.4 | -175.1 | 62.1 | 0 | 0 | 0 | 109.6 | L349 L382 F387 I389 | L349-L400 HydrophobicContact CD2-CB 4.34Å; L382-L400 HydrophobicContact CD1-CD1 3.45Å; L382-L400 VanDerWaalsContact CD1-CD1 3.45Å; L382-L400 HydrophobicContact CD1-CD2 3.97Å; L382-L400 HydrophobicContact CD1-CG 4.38Å; F387-L400 HydrophobicContact CB-CD1 4Å; F387-L400 HydrophobicContact CD1-CD1 3.8Å; F387-L400 HydrophobicContact CD1-CD2 4.24Å; F387-L400 HydrophobicContact CD1-CG 4.03Å; F387-L400 HydrophobicContact CE1-CD2 4.38Å; F387-L400 HydrophobicContact CG-CD1 4.22Å; I389-L400 HydrophobicContact CG1-CD1 3.76Å |
| 401 | R | 96.5 | Very high | 92.8 | Very high | 145 Ų | 145 | 70.4 Ų | 70.4 | 55% | 0.547 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 150 | 175.3 | -61.7 | -68 | -179.8 | -93.3 | -3.9 | 109.5 | F387 S388 | F387-R401 CarbonylContact C-O 3.59Å; F387-R401 VanDerWaalsContact CA-O 3.24Å; F387-R401 WeakPolarHBondContact CA-O 3.2Å; S388-R401 PolarHBondContact N-O 2.98Å; S388-R401 PolarHBondContact O-N 2.63Å |
| 402 | G | 96.8 | Very high | 93.3 | Very high | 60 Ų | 60 | 67.2 Ų | 67.2 | 62% | 0.619 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 110.8 | -171.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S386 | S386-G402 VanDerWaalsContact O-CA 3.3Å; S386-G402 WeakPolarHBondContact O-CA 3.45Å |
| 403 | A | 97.3 | Very high | 93.7 | Very high | 71 Ų | 71 | 67.4 Ų | 67.4 | 59% | 0.587 | 43% | 0.431 | S | S | * | . | trans | -149.1 | 151.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S386 S405 | S386-A403 PolarHBondContact O-N 3.19Å; A403-S405 PolarHBondContact O-N 3.13Å | ||
| 404 | L | 97.7 | Very high | 94.4 | Very high | 33 Ų | 33 | 64.7 Ų | 64.7 | 17% | 0.173 | 41% | 0.412 | C | S | . | . | trans | -70.7 | 113.7 | 179.6 | -171.3 | 72.5 | 0 | 0 | 0 | 109.5 | L357 A361 F387 D408 Q409 M412 | L357-L404 HydrophobicContact CB-CD2 4.27Å; L357-L404 HydrophobicContact CD1-CD1 4.38Å; A361-L404 HydrophobicContact CB-CD2 3.97Å; F387-L404 HydrophobicContact CE2-CB 4.28Å; F387-L404 HydrophobicContact CE2-CD1 4.08Å; F387-L404 HydrophobicContact CZ-CB 4Å; F387-L404 HydrophobicContact CZ-CD1 4.49Å; L404-D408 HydrophobicContact CD1-CB 3.53Å; L404-D408 HydrophobicContact CG-CB 4.13Å; L404-Q409 HydrophobicContact CD2-CG 3.47Å; L404-Q409 VanDerWaalsContact CD2-CG 3.47Å; L404-Q409 HydrophobicContact CG-CG 3.87Å; L404-Q409 PolarHBondContact O-NE2 2.9Å; L404-M412 HydrophobicContact CD1-CE 3.68Å; L404-M412 HydrophobicContact CD1-SD 4.36Å; L404-M412 HydrophobicContact CD2-CE 4.44Å; L404-M412 HydrophobicContact CD2-SD 4.22Å | ||
| 405 | S | 97.8 | Very high | 95.2 | Very high | 38 Ų | 38 | 62.3 Ų | 62.3 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | trans | -71.4 | 163.9 | -178.9 | 74.6 | 0 | 0 | 0 | 0 | 111.7 | A403 E407 D408 Q409 | A403-S405 PolarHBondContact O-N 3.13Å; S405-E407 PolarHBondContact O-N 3.35Å; S405-E407 PolarHBondContact OG-N 3.35Å; S405-D408 WeakPolarHBondContact CB-OD2 3.25Å; S405-D408 PolarHBondContact N-OD2 2.91Å; S405-D408 PolarHBondContact O-N 3.06Å; S405-D408 PolarHBondContact OG-N 3.3Å; S405-D408 PolarHBondContact OG-OD2 2.9Å; S405-Q409 WeakPolarHBondContact O-CG 3.33Å; S405-Q409 PolarHBondContact O-N 3.13Å; S405-Q409 VanDerWaalsContact O-N 3.11Å | ||
| 406 | L | 97.6 | Very high | 96.3 | Very high | 142 Ų | 142 | 59.7 Ų | 59.7 | 74% | 0.743 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.9 | -30 | 172.1 | -68.1 | 178 | 0 | 0 | 0 | 112 | Q409 A410 | L406-Q409 PolarHBondContact O-N 2.98Å; L406-A410 WeakPolarHBondContact O-CB 3.49Å; L406-A410 PolarHBondContact O-N 3.45Å |
| 407 | E | 97.9 | Very high | 97.1 | Very high | 152 Ų | 152 | 63.2 Ų | 63.2 | 71% | 0.71 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.2 | -44.4 | 175.2 | -174.2 | 172.4 | -170.9 | 0 | 0 | 111 | S405 Q409 A410 Q411 | S405-E407 PolarHBondContact O-N 3.35Å; S405-E407 PolarHBondContact OG-N 3.35Å; E407-Q409 VanDerWaalsContact C-N 3.31Å; E407-Q409 PolarHBondContact O-N 3.18Å; E407-A410 PolarHBondContact O-N 3.47Å; E407-Q411 PolarHBondContact O-N 2.88Å |
| 408 | D | 98 | Very high | 97.5 | Very high | 16 Ų | 16 | 60.5 Ų | 60.5 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.1 | -57.4 | -44.8 | 0 | 0 | 0 | 111.2 | N383 S386 L404 S405 Q411 M412 | N383-D408 WeakPolarHBondContact CB-OD1 3.48Å; N383-D408 PolarHBondContact ND2-OD1 3.36Å; S386-D408 WeakPolarHBondContact CB-OD2 3.48Å; S386-D408 PolarHBondContact OG-OD2 3.49Å; L404-D408 HydrophobicContact CD1-CB 3.53Å; L404-D408 HydrophobicContact CG-CB 4.13Å; S405-D408 WeakPolarHBondContact CB-OD2 3.25Å; S405-D408 PolarHBondContact N-OD2 2.91Å; S405-D408 PolarHBondContact O-N 3.06Å; S405-D408 PolarHBondContact OG-N 3.3Å; S405-D408 PolarHBondContact OG-OD2 2.9Å; D408-Q411 PolarHBondContact O-N 3.44Å; D408-M412 WeakPolarHBondContact O-CG 3.2Å; D408-M412 PolarHBondContact O-N 3.43Å |
| 409 | Q | 97.9 | Very high | 97.7 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.3 | -70.7 | 176 | 56.8 | 0 | 0 | 112.3 | A361 L404 S405 L406 E407 Q411 M412 A413 | A361-Q409 HydrophobicContact CB-CG 4.23Å; L404-Q409 HydrophobicContact CD2-CG 3.47Å; L404-Q409 VanDerWaalsContact CD2-CG 3.47Å; L404-Q409 HydrophobicContact CG-CG 3.87Å; L404-Q409 PolarHBondContact O-NE2 2.9Å; S405-Q409 WeakPolarHBondContact O-CG 3.33Å; S405-Q409 PolarHBondContact O-N 3.13Å; S405-Q409 VanDerWaalsContact O-N 3.11Å; L406-Q409 PolarHBondContact O-N 2.98Å; E407-Q409 VanDerWaalsContact C-N 3.31Å; E407-Q409 PolarHBondContact O-N 3.18Å; Q409-Q411 VanDerWaalsContact C-N 3.34Å; Q409-M412 PolarHBondContact O-N 3.49Å; Q409-A413 PolarHBondContact O-N 3.39Å |
| 410 | A | 97.7 | Very high | 97.8 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | L406 E407 A413 V414 | L406-A410 WeakPolarHBondContact O-CB 3.49Å; L406-A410 PolarHBondContact O-N 3.45Å; E407-A410 PolarHBondContact O-N 3.47Å; A410-A413 PolarHBondContact O-N 2.75Å; A410-V414 WeakPolarHBondContact O-CG2 3.17Å; A410-V414 PolarHBondContact O-N 3.16Å |
| 411 | Q | 97.9 | Very high | 97.9 | Very high | 96 Ų | 96 | 60.9 Ų | 60.9 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 175.3 | -166.7 | 65.3 | 22.1 | 0 | 0 | 111.3 | E407 D408 Q409 A413 V414 E415 | E407-Q411 PolarHBondContact O-N 2.88Å; D408-Q411 PolarHBondContact O-N 3.44Å; Q409-Q411 VanDerWaalsContact C-N 3.34Å; Q411-A413 VanDerWaalsContact C-N 3.29Å; Q411-A413 PolarHBondContact O-N 2.9Å; Q411-V414 PolarHBondContact O-N 3.36Å; Q411-V414 VanDerWaalsContact O-N 3.12Å; Q411-E415 HydrophobicContact CG-CG 4.44Å; Q411-E415 VanDerWaalsContact NE2-CD 3.34Å; Q411-E415 PolarHBondContact NE2-OE1 3.31Å; Q411-E415 PolarHBondContact O-N 2.93Å |
| 412 | M | 98.3 | Very high | 97.8 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.3 | -42 | 175.4 | -73.8 | 176 | 179.6 | 0 | 0 | 112.1 | C358 L404 D408 Q409 V414 E415 F416 | C358-M412 HydrophobicContact CB-CE 4.08Å; C358-M412 HydrophobicContact CB-CG 4.41Å; C358-M412 HydrophobicContact CB-SD 3.69Å; L404-M412 HydrophobicContact CD1-CE 3.68Å; L404-M412 HydrophobicContact CD1-SD 4.36Å; L404-M412 HydrophobicContact CD2-CE 4.44Å; L404-M412 HydrophobicContact CD2-SD 4.22Å; D408-M412 WeakPolarHBondContact O-CG 3.2Å; D408-M412 PolarHBondContact O-N 3.43Å; Q409-M412 PolarHBondContact O-N 3.49Å; M412-V414 VanDerWaalsContact C-N 3.33Å; M412-V414 PolarHBondContact O-N 2.86Å; M412-E415 PolarHBondContact O-N 3.25Å; M412-F416 WeakPolarHBondContact O-CA 3.34Å; M412-F416 WeakPolarHBondContact O-CB 3.39Å; M412-F416 PolarHBondContact O-N 2.86Å |
| 413 | A | 97.8 | Very high | 97.7 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 34% | 0.339 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.9 | -33.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L362 R372 Q409 A410 Q411 | L362-A413 HydrophobicContact CD1-CB 4Å; R372-A413 PolarHBondContact NE-O 3.42Å; Q409-A413 PolarHBondContact O-N 3.39Å; A410-A413 PolarHBondContact O-N 2.75Å; Q411-A413 VanDerWaalsContact C-N 3.29Å; Q411-A413 PolarHBondContact O-N 2.9Å |
| 414 | V | 98.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 54.2 Ų | 54.2 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -74.3 | -41 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | R372 H375 A410 Q411 M412 | R372-V414 VanDerWaalsContact CD-O 3.28Å; R372-V414 WeakPolarHBondContact CD-O 3.23Å; H375-V414 VanDerWaalsContact CE1-CG1 3.48Å; H375-V414 WeakPolarHBondContact CE1-CG1 3.45Å; H375-V414 PolarHBondContact CE1-O 2.9Å; H375-V414 PolarHBondContact ND1-O 3.39Å; H375-V414 VanDerWaalsContact ND1-O 3.11Å; A410-V414 WeakPolarHBondContact O-CG2 3.17Å; A410-V414 PolarHBondContact O-N 3.16Å; Q411-V414 PolarHBondContact O-N 3.36Å; Q411-V414 VanDerWaalsContact O-N 3.12Å; M412-V414 VanDerWaalsContact C-N 3.33Å; M412-V414 PolarHBondContact O-N 2.86Å |
| 415 | E | 98.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -88.5 | -31.8 | -172.7 | -69.7 | -177.5 | 166.4 | 0 | 0 | 113.8 | R372 H375 A378 Q411 M412 | R372-E415 WeakPolarHBondContact CB-O 3.15Å; R372-E415 WeakPolarHBondContact CG-O 3.46Å; R372-E415 PolarHBondContact N-O 2.97Å; H375-E415 HydrophobicContact CB-CB 4.44Å; H375-E415 HydrophobicContact CB-CG 4.38Å; A378-E415 HydrophobicContact CB-CB 3.8Å; A378-E415 HydrophobicContact CB-CG 3.98Å; Q411-E415 HydrophobicContact CG-CG 4.44Å; Q411-E415 VanDerWaalsContact NE2-CD 3.34Å; Q411-E415 PolarHBondContact NE2-OE1 3.31Å; Q411-E415 PolarHBondContact O-N 2.93Å; M412-E415 PolarHBondContact O-N 3.25Å |
| 416 | F | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 157.7 | -169.9 | -62.6 | -87.3 | 0 | 0 | 0 | 113.3 | A312 L362 C369 R371 R372 A378 L379 L380 M412 | A312-F416 HydrophobicContact CB-CE1 4.22Å; L362-F416 HydrophobicContact CD2-CB 3.86Å; C369-F416 HydrophobicContact CB-CB 4.04Å; C369-F416 HydrophobicContact CB-CD1 4.09Å; C369-F416 HydrophobicContact CB-CG 4.19Å; R371-F416 HydrophobicContact CG-CE1 3.94Å; R372-F416 VanDerWaalsContact CZ-O 3.31Å; R372-F416 PolarHBondContact NE-O 3.37Å; R372-F416 PolarHBondContact NH2-O 2.88Å; R372-F416 VanDerWaalsContact NH2-O 3.1Å; A378-F416 HydrophobicContact CB-CE2 4.17Å; A378-F416 HydrophobicContact CB-CZ 3.91Å; L379-F416 WeakPolarHBondContact O-CZ 3.16Å; L380-F416 HydrophobicContact CD1-CE1 4.22Å; L380-F416 HydrophobicContact CD2-CD1 3.85Å; L380-F416 HydrophobicContact CD2-CD2 3.94Å; L380-F416 HydrophobicContact CD2-CE1 3.6Å; L380-F416 HydrophobicContact CD2-CE2 3.69Å; L380-F416 HydrophobicContact CD2-CG 4.03Å; L380-F416 HydrophobicContact CD2-CZ 3.53Å; L380-F416 HydrophobicContact CG-CD1 4.22Å; L380-F416 HydrophobicContact CG-CE1 3.59Å; L380-F416 HydrophobicContact CG-CE2 4.34Å; L380-F416 HydrophobicContact CG-CZ 3.68Å; M412-F416 WeakPolarHBondContact O-CA 3.34Å; M412-F416 WeakPolarHBondContact O-CB 3.39Å; M412-F416 PolarHBondContact O-N 2.86Å |
| 417 | K | 98.6 | Very high | 97.7 | Very high | 96 Ų | 96 | 54.4 Ų | 54.4 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 169.1 | 168.6 | 62.5 | 174.6 | -179.5 | -179.9 | 0 | 109 | C369 V370 R372 | C369-K417 CarbonylContact C-O 3.35Å; C369-K417 WeakPolarHBondContact CA-O 3.35Å; V370-K417 PolarHBondContact N-O 3.5Å; V370-K417 WeakPolarHBondContact O-CG 3.46Å; V370-K417 PolarHBondContact O-N 3.38Å; R372-K417 HydrophobicContact CG-CB 4.17Å; R372-K417 HydrophobicContact CG-CG 4.3Å |
| 418 | C | 98.7 | Very high | 97.7 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 12% | 0.122 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 138 | 179.5 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | L362 C363 R368 P427 C429 | L362-C418 PolarHBondContact O-SG 2.87Å; L362-C418 VanDerWaalsContact O-SG 3.35Å; C363-C418 WeakPolarHBondContact CA-SG 3.07Å; C363-C418 HydrophobicContact CB-CB 3.81Å; C363-C418 WeakPolarHBondContact CB-SG 3.25Å; C363-C418 VanDerWaalsContact SG-CA 3.54Å; C363-C418 WeakPolarHBondContact SG-CB 3.42Å; C363-C418 CovalentContact SG-SG 2.04Å; C363-C418 PolarHBondContact SG-SG 3.49Å; R368-C418 WeakPolarHBondContact O-CA 3.2Å; C418-P427 WeakPolarHBondContact CB-O 3.26Å; C418-C429 VanDerWaalsContact CB-SG 3.58Å |
| 419 | R | 98 | Very high | 97.7 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 104 | 154.9 | -175.8 | -173.9 | -66.2 | 140.9 | -0.6 | 106.9 | Q313 G367 R368 V370 | Q313-R419 PolarHBondContact O-NH1 3.03Å; Q313-R419 VanDerWaalsContact O-NH1 3.11Å; Q313-R419 PolarHBondContact O-NH2 2.91Å; G367-R419 CarbonylContact C-O 3.59Å; G367-R419 VanDerWaalsContact CA-O 3.32Å; G367-R419 WeakPolarHBondContact CA-O 3.28Å; R368-R419 PolarHBondContact N-O 3.38Å; R368-R419 PolarHBondContact O-N 3.24Å; V370-R419 HydrophobicContact CG2-CB 3.7Å |
| 420 | C | 98 | Very high | 97.7 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 148.7 | -175.7 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | W424 C429 | C420-W424 HydrophobicContact CB-CB 3.94Å; C420-W424 WeakPolarHBondContact CB-O 3.13Å; C420-C429 WeakPolarHBondContact CA-SG 3.4Å; C420-C429 HydrophobicContact CB-CB 3.81Å; C420-C429 WeakPolarHBondContact CB-SG 3.25Å; C420-C429 WeakPolarHBondContact SG-CA 3.43Å; C420-C429 WeakPolarHBondContact SG-CB 3.31Å; C420-C429 PolarHBondContact SG-N 3.18Å; C420-C429 CovalentContact SG-SG 2.04Å; C420-C429 PolarHBondContact SG-SG 3.14Å |
| 421 | Y | 97.7 | Very high | 97.6 | Very high | 16 Ų | 16 | 59.7 Ų | 59.7 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 154.3 | 169.1 | -61.7 | -46.5 | 0 | 0 | 0 | 110.3 | G24 P25 P31 H366 R368 G423 W424 | G24-Y421 VanDerWaalsContact C-CD1 3.46Å; G24-Y421 VanDerWaalsContact CA-CG 3.42Å; P25-Y421 HydrophobicContact CB-CE1 4.48Å; P25-Y421 HydrophobicContact CG-CE2 4.23Å; P31-Y421 WeakPolarHBondContact CA-OH 3.36Å; P31-Y421 WeakPolarHBondContact CB-OH 3.13Å; H366-Y421 VanDerWaalsContact O-CD2 3.24Å; H366-Y421 WeakPolarHBondContact O-CD2 3.44Å; H366-Y421 PolarHBondContact O-N 3.12Å; R368-Y421 HydrophobicContact CG-CE1 3.76Å; Y421-G423 PolarHBondContact O-N 3.32Å; Y421-W424 WeakPolarHBondContact O-CB 3.41Å; Y421-W424 PolarHBondContact O-N 3.35Å |
| 422 | P | 94.9 | Very high | 97.5 | Very high | 29 Ų | 29 | 62.6 Ų | 62.6 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | 134.2 | 171.2 | -26.1 | 32.4 | 0 | 0 | 0 | 111.6 | G21 F22 R23 N280 | G21-P422 VanDerWaalsContact O-CG 3.26Å; G21-P422 WeakPolarHBondContact O-CG 3.29Å; F22-P422 HydrophobicContact CD1-CB 4.47Å; R23-P422 VanDerWaalsContact O-CD 3.28Å; R23-P422 WeakPolarHBondContact O-CD 3.42Å; N280-P422 HydrophobicContact CB-CG 3.99Å |
| 423 | G | 95.1 | Very high | 97.2 | Very high | 39 Ų | 39 | 63.7 Ų | 63.7 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y421 K432 S433 | Y421-G423 PolarHBondContact O-N 3.32Å; G423-K432 CarbonylContact O-C 3.43Å; G423-K432 WeakPolarHBondContact O-CA 3.49Å; G423-K432 WeakPolarHBondContact O-CB 3.43Å; G423-S433 WeakPolarHBondContact CA-OG 3.34Å; G423-S433 PolarHBondContact O-N 2.91Å; G423-S433 PolarHBondContact O-OG 3.27Å |
| 424 | W | 97.5 | Very high | 96.3 | Very high | 67 Ų | 67 | 69.1 Ų | 69.1 | 25% | 0.254 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -119.2 | 144 | 177.6 | -66.3 | 92 | 0 | 0 | 0 | 112.7 | H366 C420 Y421 C429 K432 | H366-W424 HydrophobicContact CB-CB 4.36Å; H366-W424 HydrophobicContact CB-CD2 3.46Å; H366-W424 VanDerWaalsContact CB-CD2 3.46Å; H366-W424 HydrophobicContact CB-CE3 3.85Å; H366-W424 HydrophobicContact CB-CG 3.69Å; H366-W424 HydrophobicContact CB-CZ2 4.2Å; H366-W424 HydrophobicContact CB-CZ3 4.35Å; H366-W424 AromaticContact CD2-CD2 3.89Å; H366-W424 AromaticContact CD2-CE2 3.75Å; H366-W424 AromaticContact CD2-CE3 3.61Å; H366-W424 AromaticContact CD2-CH2 3.08Å; H366-W424 WeakPolarHBondContact CD2-CH2 3.45Å; H366-W424 AromaticContact CD2-CZ2 3.39Å; H366-W424 WeakPolarHBondContact CD2-CZ2 3.4Å; H366-W424 AromaticContact CD2-CZ3 3.19Å; H366-W424 WeakPolarHBondContact CD2-CZ3 3.36Å; H366-W424 AromaticContact CE1-CH2 3.63Å; H366-W424 AromaticContact CE1-CZ2 3.39Å; H366-W424 WeakPolarHBondContact CE1-CZ2 3.19Å; H366-W424 AromaticContact CG-CD2 3.6Å; H366-W424 AromaticContact CG-CE2 3.36Å; H366-W424 AromaticContact CG-CE3 3.81Å; H366-W424 AromaticContact CG-CH2 3.62Å; H366-W424 AromaticContact CG-CZ2 3.4Å; H366-W424 AromaticContact CG-CZ3 3.81Å; H366-W424 AromaticContact CG-NE1 3.93Å; H366-W424 AromaticContact ND1-CE2 3.6Å; H366-W424 AromaticContact ND1-CH2 3.93Å; H366-W424 AromaticContact ND1-CZ2 3.4Å; H366-W424 WeakPolarHBondContact ND1-CZ2 3.25Å; H366-W424 AromaticContact ND1-NE1 3.96Å; H366-W424 AromaticContact NE2-CH2 3.08Å; H366-W424 WeakPolarHBondContact NE2-CH2 3.49Å; H366-W424 AromaticContact NE2-CZ2 3.38Å; H366-W424 WeakPolarHBondContact NE2-CZ2 3.42Å; H366-W424 AromaticContact NE2-CZ3 3.7Å; C420-W424 HydrophobicContact CB-CB 3.94Å; C420-W424 WeakPolarHBondContact CB-O 3.13Å; Y421-W424 WeakPolarHBondContact O-CB 3.41Å; Y421-W424 PolarHBondContact O-N 3.35Å; W424-C429 HydrophobicContact CB-CB 4.16Å; W424-K432 HydrophobicContact CE3-CG 4.5Å; W424-K432 HydrophobicContact CH2-CG 4.48Å; W424-K432 HydrophobicContact CZ3-CG 4.38Å |
| 425 | Q | 97.2 | Very high | 94.2 | Very high | 66 Ų | 66 | 79.8 Ų | 79.8 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | trans | -93.4 | 130.7 | -172.1 | -159.3 | -172.9 | 18.5 | 0 | 0 | 112.2 | C429 R431 | Q425-C429 WeakPolarHBondContact O-CA 3.08Å; Q425-C429 PolarHBondContact O-N 3.27Å; Q425-R431 WeakPolarHBondContact CB-O 3.45Å; Q425-R431 PolarHBondContact N-O 3.46Å | ||
| 426 | A | 97 | Very high | 94 | Very high | 68 Ų | 68 | 81.8 Ų | 81.8 | 56% | 0.562 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 154.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 427 | P | 97.1 | Very high | 93.7 | Very high | 83 Ų | 83 | 85.9 Ų | 85.9 | 54% | 0.539 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -93.4 | -16.3 | 8.2 | 34 | -33.8 | 0 | 0 | 0 | 115.8 | C418 | C418-P427 WeakPolarHBondContact CB-O 3.26Š|
| 428 | W | 98.1 | Very high | 93.4 | Very high | 112 Ų | 112 | 85.4 Ų | 85.4 | 42% | 0.424 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 0.7 | -173 | -50.4 | 120.6 | 0 | 0 | 0 | 114.1 | L362 C363 S364 E430 | L362-W428 HydrophobicContact CD1-CE3 4.13Å; L362-W428 HydrophobicContact CD1-CH2 4.48Å; L362-W428 HydrophobicContact CD1-CZ3 3.59Å; L362-W428 HydrophobicContact CG-CE3 4.39Å; L362-W428 HydrophobicContact CG-CZ3 4.09Å; C363-W428 CarbonylContact C-O 3.51Å; C363-W428 WeakPolarHBondContact CA-O 3Å; S364-W428 PolarHBondContact OG-O 3.14Å; W428-E430 PolarHBondContact O-N 3.07Å |
| 429 | C | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 89.4 Ų | 89.4 | 0% | 0 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 61 | 25.3 | -179.7 | -36 | 0 | 0 | 0 | 0 | 113.7 | C363 H366 C418 C420 W424 Q425 | C363-C429 WeakPolarHBondContact O-CB 3.34Å; H366-C429 HydrophobicContact CB-CB 3.82Å; H366-C429 WeakPolarHBondContact CB-O 3.38Å; H366-C429 WeakPolarHBondContact O-CB 3.26Å; C418-C429 VanDerWaalsContact CB-SG 3.58Å; C420-C429 WeakPolarHBondContact CA-SG 3.4Å; C420-C429 HydrophobicContact CB-CB 3.81Å; C420-C429 WeakPolarHBondContact CB-SG 3.25Å; C420-C429 WeakPolarHBondContact SG-CA 3.43Å; C420-C429 WeakPolarHBondContact SG-CB 3.31Å; C420-C429 PolarHBondContact SG-N 3.18Å; C420-C429 CovalentContact SG-SG 2.04Å; C420-C429 PolarHBondContact SG-SG 3.14Å; W424-C429 HydrophobicContact CB-CB 4.16Å; Q425-C429 WeakPolarHBondContact O-CA 3.08Å; Q425-C429 PolarHBondContact O-N 3.27Å |
| 430 | E | 97.9 | Very high | 92.8 | Very high | 139 Ų | 139 | 90.4 Ų | 90.4 | 65% | 0.65 | 44% | 0.435 | S | S | * | . | trans | -78.4 | -28.6 | -177 | -174.5 | 179.4 | -154.5 | 0 | 0 | 112.8 | W428 | W428-E430 PolarHBondContact O-N 3.07Š| ||
| 431 | R | 97.2 | Very high | 92.5 | Very high | 160 Ų | 160 | 95.3 Ų | 95.3 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -120.8 | 150.4 | -177.2 | -59.5 | -177.3 | -58.8 | -151.1 | -2 | 110.3 | Q425 | Q425-R431 WeakPolarHBondContact CB-O 3.45Å; Q425-R431 PolarHBondContact N-O 3.46Å |
| 432 | K | 95.4 | Very high | 92.1 | Very high | 156 Ų | 156 | 101 Ų | 101 | 68% | 0.678 | 49% | 0.485 | S | S | * | . | B | Isolated β-bridge | trans | -63.4 | 146.6 | 171.4 | -63.9 | -167.5 | 177.1 | -174.3 | 0 | 110.7 | G423 W424 | G423-K432 CarbonylContact O-C 3.43Å; G423-K432 WeakPolarHBondContact O-CA 3.49Å; G423-K432 WeakPolarHBondContact O-CB 3.43Å; W424-K432 HydrophobicContact CE3-CG 4.5Å; W424-K432 HydrophobicContact CH2-CG 4.48Å; W424-K432 HydrophobicContact CZ3-CG 4.38Å |
| 433 | S | 91.5 | Very high | 91.9 | Very high | 40 Ų | 40 | 106.5 Ų | 106.5 | 28% | 0.28 | 51% | 0.508 | S | S | . | . | trans | -63.5 | 147.6 | 172.4 | 55.2 | 0 | 0 | 0 | 0 | 110.2 | G423 W435 | G423-S433 WeakPolarHBondContact CA-OG 3.34Å; G423-S433 PolarHBondContact O-N 2.91Å; G423-S433 PolarHBondContact O-OG 3.27Å; S433-W435 PolarHBondContact O-N 3.05Å; S433-W435 PolarHBondContact OG-O 3.12Å; S433-W435 VanDerWaalsContact OG-O 3.05Å | ||
| 434 | M | 79.5 | Confident | 91.6 | Very high | 154 Ų | 154 | 112.2 Ų | 112.2 | 76% | 0.759 | 52% | 0.516 | S | S | * | . | trans | -74 | 115.5 | 162.7 | -68.6 | -178 | -67.4 | 0 | 0 | 105.9 | ||||
| 435 | W | 53 | Low | 91.1 | Very high | 301 Ų | 301 | 116.3 Ų | 116.3 | 100% | 1.14 | 54% | 0.54 | S | S | * | . | trans | 80.3 | 0 | -175.9 | -47.2 | 88.4 | 0 | 0 | 0 | 114.2 | S433 | S433-W435 PolarHBondContact O-N 3.05Å; S433-W435 PolarHBondContact OG-O 3.12Å; S433-W435 VanDerWaalsContact OG-O 3.05Å |
Retrieved 435 of 435 residues in 1401.7 ms
(Link to these results)