| 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 | 38.3 | Very low | 37 | Very low | 237 Ų | 237 | 156.5 Ų | 156.5 | 100% | 1.167 | 83% | 0.826 | S | S | * | * | 0 | 122 | 0 | -74.6 | 176.2 | 138.9 | 0 | 0 | 107.8 | |||||
| 2 | P | 39.7 | Very low | 37.2 | Very low | 130 Ų | 130 | 153.3 Ų | 153.3 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | trans | -79.6 | 141.9 | 177 | 31.2 | -30.9 | 0 | 0 | 0 | 111.1 | ||||
| 3 | V | 35.1 | Very low | 37.5 | Very low | 135 Ų | 135 | 153.4 Ų | 153.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -77.1 | 138.6 | -180 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | K | 37.2 | Very low | 37.7 | Very low | 195 Ų | 195 | 154.3 Ų | 154.3 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -87.4 | 108.9 | 170.6 | -69.9 | -175.7 | 177.7 | -177.1 | 0 | 109.3 | ||||
| 5 | E | 35.5 | Very low | 37.9 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -76.2 | 134.8 | 165.7 | -71.4 | -173 | 142.7 | 0 | 0 | 110.4 | ||||
| 6 | T | 36.1 | Very low | 38.4 | Very low | 124 Ų | 124 | 155.7 Ų | 155.7 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | -98.8 | 106.9 | 178.5 | -58 | 0 | 0 | 0 | 0 | 108.3 | N8 | T6-N8 PolarHBondContact O-N 3.16Š| ||
| 7 | I | 43.1 | Very low | 39.2 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -74 | 116.7 | 178.9 | -60.7 | 173.8 | 0 | 0 | 0 | 109.2 | N9 | I7-N9 PolarHBondContact O-N 3.25Š| ||
| 8 | N | 36.9 | Very low | 40.2 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -78.1 | 112.4 | 174.6 | -80.9 | -32.6 | 0 | 0 | 0 | 110.4 | T6 N10 | T6-N8 PolarHBondContact O-N 3.16Å; N8-N10 PolarHBondContact O-N 2.9Å | ||
| 9 | N | 33.9 | Very low | 41.9 | Very low | 134 Ų | 134 | 150 Ų | 150 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | -77.1 | 82.8 | 175 | -73.9 | -18.6 | 0 | 0 | 0 | 112 | I7 | I7-N9 PolarHBondContact O-N 3.25Š| ||
| 10 | N | 35.1 | Very low | 44.1 | Very low | 153 Ų | 153 | 143 Ų | 143 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -103.5 | 77.2 | 159.7 | -79.2 | -15.6 | 0 | 0 | 0 | 109 | N8 T12 | N8-N10 PolarHBondContact O-N 2.9Å; N10-T12 PolarHBondContact O-N 3.5Å | ||
| 11 | L | 36 | Very low | 46.3 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | trans | -77.2 | 108.2 | 172.4 | -80.3 | 151.9 | 0 | 0 | 0 | 109.4 | ||||
| 12 | T | 40.2 | Very low | 48.8 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 68% | 0.678 | S | S | * | * | trans | -77.8 | 116.2 | 165.5 | 38.6 | 0 | 0 | 0 | 0 | 109.1 | N10 E14 | N10-T12 PolarHBondContact O-N 3.5Å; T12-E14 PolarHBondContact O-N 3.06Å | ||
| 13 | D | 40.7 | Very low | 51.1 | Low | 154 Ų | 154 | 126.5 Ų | 126.5 | 82% | 0.824 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -69.1 | 19.8 | -174.6 | -73.3 | -50.7 | 0 | 0 | 0 | 115.3 | ||
| 14 | E | 40 | Very low | 53.5 | Low | 166 Ų | 166 | 124.2 Ų | 124.2 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -134.2 | 90.2 | -176.9 | -63.8 | -170.6 | 179.3 | 0 | 0 | 109.9 | T12 | T12-E14 PolarHBondContact O-N 3.06Š|
| 15 | E | 41.3 | Very low | 55.7 | Low | 189 Ų | 189 | 120.6 Ų | 120.6 | 88% | 0.883 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -174.3 | -27.1 | 150.7 | -108.1 | 159.1 | -162.1 | 0 | 0 | 115.2 | L17 | E15-L17 PolarHBondContact O-N 3.11Å; E15-L17 VanDerWaalsContact O-N 3.16Å |
| 16 | E | 45.1 | Very low | 58.2 | Low | 142 Ų | 142 | 113 Ų | 113 | 66% | 0.664 | 59% | 0.592 | S | S | * | * | trans | -93 | 66.5 | -172.9 | -63.7 | -159.1 | 143.1 | 0 | 0 | 116 | H18 | E16-H18 VanDerWaalsContact C-N 3.35Å; E16-H18 IonicContact OE1-CD2 3.24Å; E16-H18 IonicContact OE1-CE1 2.75Å; E16-H18 IonicContact OE1-NE2 2.74Å; E16-H18 PolarHBondContact OE1-NE2 2.71Å; E16-H18 IonicContact OE2-NE2 3.16Å | ||
| 17 | L | 52.2 | Low | 60.7 | Low | 120 Ų | 120 | 107.2 Ų | 107.2 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | trans | -100.7 | 64.4 | 146.5 | -166.9 | 81.5 | 0 | 0 | 0 | 108.6 | E15 D19 | E15-L17 PolarHBondContact O-N 3.11Å; E15-L17 VanDerWaalsContact O-N 3.16Å; L17-D19 PolarHBondContact O-N 3.12Å | ||
| 18 | H | 57.4 | Low | 62.7 | Low | 102 Ų | 102 | 104 Ų | 104 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | trans | -40.1 | 100 | 178.3 | -79.5 | -72.8 | 0 | 0 | 0 | 112.5 | E16 G20 Y21 | E16-H18 VanDerWaalsContact C-N 3.35Å; E16-H18 IonicContact OE1-CD2 3.24Å; E16-H18 IonicContact OE1-CE1 2.75Å; E16-H18 IonicContact OE1-NE2 2.74Å; E16-H18 PolarHBondContact OE1-NE2 2.71Å; E16-H18 IonicContact OE2-NE2 3.16Å; H18-G20 PolarHBondContact O-N 3.46Å; H18-Y21 PolarHBondContact O-N 3.06Å | ||
| 19 | D | 72.5 | Confident | 65.1 | Low | 137 Ų | 137 | 103 Ų | 103 | 73% | 0.733 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 30.3 | 30.5 | 165.9 | -78.2 | -22.3 | 0 | 0 | 0 | 120.3 | L17 Y21 | L17-D19 PolarHBondContact O-N 3.12Å; D19-Y21 HydrophobicContact CB-CD2 4.2Å; D19-Y21 HydrophobicContact CB-CE2 4.2Å |
| 20 | G | 85.9 | Confident | 67.6 | Low | 9 Ų | 9 | 100.2 Ų | 100.2 | 9% | 0.093 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 22.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H18 L49 K50 H51 | H18-G20 PolarHBondContact O-N 3.46Å; G20-L49 CarbonylContact O-C 3.14Å; G20-L49 WeakPolarHBondContact O-CA 3.21Å; G20-K50 PolarHBondContact O-N 3.27Å; G20-H51 PolarHBondContact O-N 3.28Å |
| 21 | Y | 91 | Very high | 70 | Confident | 121 Ų | 121 | 93.3 Ų | 93.3 | 48% | 0.475 | 48% | 0.477 | S | S | . | . | B | Isolated β-bridge | trans | -82.7 | 135.6 | 170.1 | -73 | -94.6 | 0 | 0 | 0 | 111.5 | H18 D19 S23 H51 | H18-Y21 PolarHBondContact O-N 3.06Å; D19-Y21 HydrophobicContact CB-CD2 4.2Å; D19-Y21 HydrophobicContact CB-CE2 4.2Å; Y21-S23 PolarHBondContact O-N 3.48Å; Y21-H51 HydrophobicContact CD1-CB 3.49Å; Y21-H51 VanDerWaalsContact CD1-CB 3.49Å; Y21-H51 HydrophobicContact CE1-CB 3.59Å; Y21-H51 AromaticContact CE1-CD2 3.64Å; Y21-H51 AromaticContact CE1-CG 3.69Å; Y21-H51 AromaticContact CE2-CD2 3.72Å; Y21-H51 HydrophobicContact CG-CB 4.11Å; Y21-H51 AromaticContact CZ-CD2 3.41Å; Y21-H51 VanDerWaalsContact CZ-CD2 3.41Å; Y21-H51 AromaticContact CZ-CG 3.95Å |
| 22 | L | 90.3 | Very high | 72.1 | Confident | 9 Ų | 9 | 94.5 Ų | 94.5 | 5% | 0.047 | 47% | 0.471 | C | S | . | . | trans | -75.2 | 89.9 | 170.1 | -179.5 | 58.6 | 0 | 0 | 0 | 110 | L26 I27 L44 L49 H51 V52 A54 L55 | L22-L26 HydrophobicContact CD1-CB 4.48Å; L22-L26 HydrophobicContact CD1-CD2 4.01Å; L22-L26 HydrophobicContact CD1-CG 4.18Å; L22-I27 HydrophobicContact CD1-CD1 4.42Å; L22-I27 HydrophobicContact CD1-CG1 3.71Å; L22-I27 HydrophobicContact CD2-CD1 4.11Å; L22-I27 HydrophobicContact CD2-CG1 4.19Å; L22-I27 HydrophobicContact CG-CD1 3.98Å; L22-I27 HydrophobicContact CG-CG1 3.84Å; L22-L44 HydrophobicContact CD1-CD1 3.68Å; L22-L44 HydrophobicContact CD1-CD2 3.9Å; L22-L44 HydrophobicContact CD1-CG 4.46Å; L22-L44 HydrophobicContact CD2-CD1 3.82Å; L22-L44 HydrophobicContact CG-CD1 4.42Å; L22-L49 HydrophobicContact CB-CD2 4.29Å; L22-L49 HydrophobicContact CD1-CD1 4.18Å; L22-H51 PolarHBondContact N-O 3.3Å; L22-V52 HydrophobicContact CB-CB 4.42Å; L22-V52 HydrophobicContact CB-CG1 4.09Å; L22-V52 HydrophobicContact CD2-CB 4.17Å; L22-V52 HydrophobicContact CD2-CG1 4.22Å; L22-A54 HydrophobicContact CD2-CB 4.45Å; L22-A54 HydrophobicContact CG-CB 4.36Å; L22-A54 WeakPolarHBondContact O-CB 3.41Å; L22-L55 HydrophobicContact CD2-CD2 3.6Å; L22-L55 HydrophobicContact CD2-CG 4.03Å | ||
| 23 | S | 87.6 | Confident | 73.7 | Confident | 35 Ų | 35 | 91 Ų | 91 | 25% | 0.245 | 46% | 0.458 | C | S | . | . | trans | -72.9 | 150.4 | 178.1 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | Y21 N25 L26 I27 | Y21-S23 PolarHBondContact O-N 3.48Å; S23-N25 PolarHBondContact O-N 2.94Å; S23-L26 WeakPolarHBondContact O-CB 3.43Å; S23-L26 PolarHBondContact O-N 3.23Å; S23-L26 WeakPolarHBondContact OG-CB 3.37Å; S23-L26 PolarHBondContact OG-N 3.21Å; S23-I27 PolarHBondContact O-N 3.39Å; S23-I27 VanDerWaalsContact O-N 3.11Å | ||
| 24 | P | 84.8 | Confident | 75.4 | Confident | 87 Ų | 87 | 88.4 Ų | 88.4 | 57% | 0.565 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -56.1 | -35 | 172.9 | -26.7 | 35.5 | 0 | 0 | 0 | 112.8 | L26 I27 M28 | P24-L26 VanDerWaalsContact C-N 3.32Å; P24-L26 PolarHBondContact O-N 3.4Å; P24-I27 PolarHBondContact O-N 2.87Å; P24-M28 WeakPolarHBondContact O-CB 3.28Å; P24-M28 VanDerWaalsContact O-CG 3.28Å; P24-M28 WeakPolarHBondContact O-CG 3.38Å; P24-M28 PolarHBondContact O-N 3.17Å |
| 25 | N | 84.7 | Confident | 77.4 | Confident | 119 Ų | 119 | 84.8 Ų | 84.8 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.3 | -39 | 174.9 | -69.1 | -20.4 | 0 | 0 | 0 | 112.1 | S23 L29 | S23-N25 PolarHBondContact O-N 2.94Å; N25-L29 VanDerWaalsContact O-CB 3.26Å; N25-L29 WeakPolarHBondContact O-CB 3.08Å; N25-L29 PolarHBondContact O-N 3.42Å |
| 26 | L | 87.9 | Confident | 79.5 | Confident | 20 Ų | 20 | 77.4 Ų | 77.4 | 11% | 0.105 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.6 | -39.1 | 176.9 | 179.8 | 58.1 | 0 | 0 | 0 | 112.1 | L22 S23 P24 L29 R30 L44 L47 L49 | L22-L26 HydrophobicContact CD1-CB 4.48Å; L22-L26 HydrophobicContact CD1-CD2 4.01Å; L22-L26 HydrophobicContact CD1-CG 4.18Å; S23-L26 WeakPolarHBondContact O-CB 3.43Å; S23-L26 PolarHBondContact O-N 3.23Å; S23-L26 WeakPolarHBondContact OG-CB 3.37Å; S23-L26 PolarHBondContact OG-N 3.21Å; P24-L26 VanDerWaalsContact C-N 3.32Å; P24-L26 PolarHBondContact O-N 3.4Å; L26-L29 PolarHBondContact O-N 3.24Å; L26-R30 HydrophobicContact CD1-CG 4.23Å; L26-R30 WeakPolarHBondContact O-CB 3.39Å; L26-R30 WeakPolarHBondContact O-CG 3.45Å; L26-R30 PolarHBondContact O-N 3.02Å; L26-L44 HydrophobicContact CG-CD2 4.43Å; L26-L47 HydrophobicContact CD1-CD1 4.18Å; L26-L47 HydrophobicContact CD2-CD1 4.19Å; L26-L47 HydrophobicContact CG-CD1 4.44Å; L26-L49 HydrophobicContact CD2-CD2 3.96Å |
| 27 | I | 88.1 | Confident | 81.4 | Confident | 3 Ų | 3 | 74.9 Ų | 74.9 | 2% | 0.015 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59 | -55.3 | 171.7 | -63.3 | 174.2 | 0 | 0 | 0 | 109.3 | L22 S23 P24 L29 R30 S31 I39 A54 M58 | L22-I27 HydrophobicContact CD1-CD1 4.42Å; L22-I27 HydrophobicContact CD1-CG1 3.71Å; L22-I27 HydrophobicContact CD2-CD1 4.11Å; L22-I27 HydrophobicContact CD2-CG1 4.19Å; L22-I27 HydrophobicContact CG-CD1 3.98Å; L22-I27 HydrophobicContact CG-CG1 3.84Å; S23-I27 PolarHBondContact O-N 3.39Å; S23-I27 VanDerWaalsContact O-N 3.11Å; P24-I27 PolarHBondContact O-N 2.87Å; I27-L29 VanDerWaalsContact C-N 3.29Å; I27-L29 PolarHBondContact O-N 2.83Å; I27-R30 CarbonylContact O-C 3.5Å; I27-R30 PolarHBondContact O-N 3.03Å; I27-S31 WeakPolarHBondContact O-CB 3.26Å; I27-S31 PolarHBondContact O-N 3.04Å; I27-S31 PolarHBondContact O-OG 3.08Å; I27-I39 HydrophobicContact CG2-CD1 3.5Å; I27-A54 HydrophobicContact CD1-CB 3.8Å; I27-M58 HydrophobicContact CD1-CE 4.24Å; I27-M58 HydrophobicContact CG2-SD 4.31Å |
| 28 | M | 85.6 | Confident | 83 | Confident | 76 Ų | 76 | 76.3 Ų | 76.3 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.4 | -37.8 | 180 | -69.5 | -66.4 | -77.4 | 0 | 0 | 112.8 | P24 S31 R32 G33 E34 | P24-M28 WeakPolarHBondContact O-CB 3.28Å; P24-M28 VanDerWaalsContact O-CG 3.28Å; P24-M28 WeakPolarHBondContact O-CG 3.38Å; P24-M28 PolarHBondContact O-N 3.17Å; M28-S31 WeakPolarHBondContact CA-OG 3.42Å; M28-S31 PolarHBondContact O-OG 3.41Å; M28-R32 PolarHBondContact O-N 2.97Å; M28-R32 VanDerWaalsContact O-N 3.16Å; M28-G33 PolarHBondContact O-N 3.15Å; M28-E34 VanDerWaalsContact SD-O 3.35Å |
| 29 | L | 86.7 | Confident | 84.6 | Confident | 121 Ų | 121 | 71.5 Ų | 71.5 | 63% | 0.634 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.9 | -39.2 | 175.5 | -179.4 | 63.7 | 0 | 0 | 0 | 112.1 | N25 L26 I27 | N25-L29 VanDerWaalsContact O-CB 3.26Å; N25-L29 WeakPolarHBondContact O-CB 3.08Å; N25-L29 PolarHBondContact O-N 3.42Å; L26-L29 PolarHBondContact O-N 3.24Å; I27-L29 VanDerWaalsContact C-N 3.29Å; I27-L29 PolarHBondContact O-N 2.83Å |
| 30 | R | 87.4 | Confident | 85.5 | Confident | 75 Ų | 75 | 68 Ų | 68 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -82.9 | -30 | -178.4 | -71 | -73.4 | -172.2 | 143.1 | -7 | 113.1 | L26 I27 R32 L42 N43 L44 | L26-R30 HydrophobicContact CD1-CG 4.23Å; L26-R30 WeakPolarHBondContact O-CB 3.39Å; L26-R30 WeakPolarHBondContact O-CG 3.45Å; L26-R30 PolarHBondContact O-N 3.02Å; I27-R30 CarbonylContact O-C 3.5Å; I27-R30 PolarHBondContact O-N 3.03Å; R30-R32 VanDerWaalsContact C-N 3.32Å; R30-L42 HydrophobicContact CB-CD1 4.06Å; R30-N43 WeakPolarHBondContact CD-O 3.49Å; R30-N43 PolarHBondContact NH1-O 2.86Å; R30-L44 HydrophobicContact CB-CD2 4.32Å; R30-L44 HydrophobicContact CG-CD2 3.99Å |
| 31 | S | 85.2 | Confident | 85.9 | Confident | 8 Ų | 8 | 72.8 Ų | 72.8 | 6% | 0.056 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 5.1 | 173.1 | 74 | 0 | 0 | 0 | 0 | 114.1 | I27 M28 G33 E34 I39 | I27-S31 WeakPolarHBondContact O-CB 3.26Å; I27-S31 PolarHBondContact O-N 3.04Å; I27-S31 PolarHBondContact O-OG 3.08Å; M28-S31 WeakPolarHBondContact CA-OG 3.42Å; M28-S31 PolarHBondContact O-OG 3.41Å; S31-G33 PolarHBondContact O-N 2.77Å; S31-E34 WeakPolarHBondContact O-CB 3.48Å; S31-E34 WeakPolarHBondContact O-CG 3.43Å; S31-E34 PolarHBondContact O-N 2.88Å; S31-E34 PolarHBondContact OG-O 2.97Å; S31-I39 VanDerWaalsContact CB-CD1 3.45Å |
| 32 | R | 79.5 | Confident | 86 | Confident | 173 Ų | 173 | 67.2 Ų | 67.2 | 65% | 0.653 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 26.5 | -177.5 | -54.5 | 177.7 | 175.8 | 169.2 | 0.7 | 114.3 | M28 R30 | M28-R32 PolarHBondContact O-N 2.97Å; M28-R32 VanDerWaalsContact O-N 3.16Å; R30-R32 VanDerWaalsContact C-N 3.32Å |
| 33 | G | 73.2 | Confident | 86.1 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 11.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | M28 S31 | M28-G33 PolarHBondContact O-N 3.15Å; S31-G33 PolarHBondContact O-N 2.77Å |
| 34 | E | 77.4 | Confident | 86.4 | Confident | 101 Ų | 101 | 68 Ų | 68 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | trans | -61.5 | 135.5 | 166.3 | -71.2 | 172.2 | -169.7 | 0 | 0 | 110.1 | M28 S31 V36 I39 | M28-E34 VanDerWaalsContact SD-O 3.35Å; S31-E34 WeakPolarHBondContact O-CB 3.48Å; S31-E34 WeakPolarHBondContact O-CG 3.43Å; S31-E34 PolarHBondContact O-N 2.88Å; S31-E34 PolarHBondContact OG-O 2.97Å; E34-V36 PolarHBondContact O-N 2.89Å; E34-I39 HydrophobicContact CB-CG1 4.24Å | ||
| 35 | N | 82.3 | Confident | 86.8 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | trans | -57.4 | 135.6 | 172.7 | -177.6 | -28.4 | 0 | 0 | 0 | 108.9 | Q37 F38 | N35-Q37 PolarHBondContact O-N 3.19Å; N35-Q37 PolarHBondContact OD1-N 2.94Å; N35-F38 HydrophobicContact CB-CD2 3.91Å; N35-F38 HydrophobicContact CB-CE2 4.31Å; N35-F38 PolarHBondContact O-N 3.38Å | ||
| 36 | V | 84.7 | Confident | 87.1 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -42.6 | -35.8 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 112.7 | E34 F38 C57 M58 | E34-V36 PolarHBondContact O-N 2.89Å; V36-F38 VanDerWaalsContact C-N 3.33Å; V36-F38 PolarHBondContact O-N 3.46Å; V36-C57 HydrophobicContact CG1-CB 4.32Å; V36-C57 WeakPolarHBondContact CG1-O 3.37Å; V36-M58 HydrophobicContact CB-CG 4.45Å; V36-M58 HydrophobicContact CG1-CB 4.42Å; V36-M58 HydrophobicContact CG1-CG 3.26Å; V36-M58 HydrophobicContact CG1-SD 4.26Å |
| 37 | Q | 85.2 | Confident | 87.3 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -68 | -20.9 | 178 | -61.6 | -63 | -10.2 | 0 | 0 | 115.4 | N35 P59 N60 | N35-Q37 PolarHBondContact O-N 3.19Å; N35-Q37 PolarHBondContact OD1-N 2.94Å; Q37-P59 VanDerWaalsContact OE1-CD 3.27Å; Q37-N60 PolarHBondContact O-ND2 2.87Å |
| 38 | F | 86.3 | Confident | 87.6 | Confident | 150 Ų | 150 | 71.9 Ų | 71.9 | 66% | 0.658 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -105.1 | -6.1 | -178.8 | -59.8 | -56.5 | 0 | 0 | 0 | 114.1 | N35 V36 T40 | N35-F38 HydrophobicContact CB-CD2 3.91Å; N35-F38 HydrophobicContact CB-CE2 4.31Å; N35-F38 PolarHBondContact O-N 3.38Å; V36-F38 VanDerWaalsContact C-N 3.33Å; V36-F38 PolarHBondContact O-N 3.46Å; F38-T40 PolarHBondContact O-N 2.93Å; F38-T40 VanDerWaalsContact O-N 3.11Å |
| 39 | I | 90.1 | Very high | 88 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -68.5 | 111 | -177.4 | -59 | 175.8 | 0 | 0 | 0 | 109.6 | I27 S31 E34 L42 M58 N60 L61 | I27-I39 HydrophobicContact CG2-CD1 3.5Å; S31-I39 VanDerWaalsContact CB-CD1 3.45Å; E34-I39 HydrophobicContact CB-CG1 4.24Å; I39-L42 HydrophobicContact CG2-CB 4.09Å; I39-L42 HydrophobicContact CG2-CD1 4.29Å; I39-M58 HydrophobicContact CB-SD 4.17Å; I39-M58 HydrophobicContact CD1-SD 3.95Å; I39-M58 HydrophobicContact CG2-SD 4.19Å; I39-N60 CarbonylContact O-C 3.23Å; I39-L61 HydrophobicContact CG2-CD1 4.26Å; I39-L61 WeakPolarHBondContact O-CA 3.39Å; I39-L61 PolarHBondContact O-N 3.44Å | ||
| 40 | T | 92.2 | Very high | 88.3 | Confident | 65 Ų | 65 | 67.2 Ų | 67.2 | 40% | 0.399 | 33% | 0.327 | S | S | . | . | trans | -99.4 | -28.1 | 177.2 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | F38 N60 K62 I63 | F38-T40 PolarHBondContact O-N 2.93Å; F38-T40 VanDerWaalsContact O-N 3.11Å; T40-N60 WeakPolarHBondContact CA-O 3.43Å; T40-K62 WeakPolarHBondContact O-CA 3.25Å; T40-K62 PolarHBondContact O-N 2.95Å; T40-I63 PolarHBondContact O-N 3.35Å | ||
| 41 | K | 93.1 | Very high | 88.5 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.9 | 179.3 | -55.3 | -173.3 | -176.5 | 179.4 | 0 | 109.5 | I63 | K41-I63 CarbonylContact C-O 3.51Å; K41-I63 WeakPolarHBondContact CA-O 3.38Å; K41-I63 HydrophobicContact CB-CB 4.46Å; K41-I63 HydrophobicContact CD-CD1 4.19Å; K41-I63 HydrophobicContact CG-CB 4.17Å; K41-I63 HydrophobicContact CG-CD1 4.31Å; K41-I63 HydrophobicContact CG-CG1 4.46Å |
| 42 | L | 93.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 133 | -178.7 | -167.7 | 63.3 | 0 | 0 | 0 | 112.6 | R30 I39 L44 M58 L61 I63 I64 N65 | R30-L42 HydrophobicContact CB-CD1 4.06Å; I39-L42 HydrophobicContact CG2-CB 4.09Å; I39-L42 HydrophobicContact CG2-CD1 4.29Å; L42-L44 HydrophobicContact CD2-CD1 3.73Å; L42-L44 HydrophobicContact CD2-CG 4.09Å; L42-L44 HydrophobicContact CG-CD1 4.22Å; L42-L44 HydrophobicContact CG-CG 4.04Å; L42-M58 HydrophobicContact CD2-CE 3.91Å; L42-M58 HydrophobicContact CD2-SD 4.16Å; L42-L61 HydrophobicContact CB-CD1 3.9Å; L42-I63 PolarHBondContact N-O 3.43Å; L42-I64 HydrophobicContact CB-CG1 4.43Å; L42-I64 HydrophobicContact CD2-CD1 4.4Å; L42-I64 WeakPolarHBondContact O-CA 3.39Å; L42-N65 PolarHBondContact O-N 3.49Å |
| 43 | N | 93.6 | Very high | 89.4 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 33% | 0.326 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 112 | 176.7 | -170.5 | -11.2 | 0 | 0 | 0 | 111.6 | R30 W45 L217 | R30-N43 WeakPolarHBondContact CD-O 3.49Å; R30-N43 PolarHBondContact NH1-O 2.86Å; N43-W45 VanDerWaalsContact OD1-CB 3.3Å; N43-W45 WeakPolarHBondContact OD1-CB 3.38Å; N43-W45 PolarHBondContact OD1-N 3.09Å; N43-L217 HydrophobicContact CB-CD2 3.96Å |
| 44 | L | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -122.9 | 24.4 | -178.5 | -68.2 | 174.1 | 0 | 0 | 0 | 111.5 | L22 L26 R30 L42 L47 L49 I64 N65 M66 N69 | L22-L44 HydrophobicContact CD1-CD1 3.68Å; L22-L44 HydrophobicContact CD1-CD2 3.9Å; L22-L44 HydrophobicContact CD1-CG 4.46Å; L22-L44 HydrophobicContact CD2-CD1 3.82Å; L22-L44 HydrophobicContact CG-CD1 4.42Å; L26-L44 HydrophobicContact CG-CD2 4.43Å; R30-L44 HydrophobicContact CB-CD2 4.32Å; R30-L44 HydrophobicContact CG-CD2 3.99Å; L42-L44 HydrophobicContact CD2-CD1 3.73Å; L42-L44 HydrophobicContact CD2-CG 4.09Å; L42-L44 HydrophobicContact CG-CD1 4.22Å; L42-L44 HydrophobicContact CG-CG 4.04Å; L44-L47 HydrophobicContact CB-CD1 3.94Å; L44-L47 HydrophobicContact CD2-CD1 3.59Å; L44-L47 HydrophobicContact CG-CD1 4.38Å; L44-L49 HydrophobicContact CB-CD1 4.05Å; L44-L49 HydrophobicContact CD1-CD1 4.2Å; L44-L49 HydrophobicContact CD2-CD1 4.49Å; L44-L49 HydrophobicContact CG-CD1 4.48Å; L44-I64 HydrophobicContact CD1-CD1 4.33Å; L44-N65 CarbonylContact C-O 3.45Å; L44-N65 WeakPolarHBondContact CA-O 3.17Å; L44-N65 PolarHBondContact N-O 2.92Å; L44-M66 HydrophobicContact CB-CG 3.53Å; L44-M66 HydrophobicContact CB-SD 4.29Å; L44-M66 HydrophobicContact CD1-CG 4.03Å; L44-M66 HydrophobicContact CD1-SD 3.79Å; L44-M66 HydrophobicContact CG-CG 4.39Å; L44-N69 PolarHBondContact O-ND2 3.05Å | ||
| 45 | W | 92.9 | Very high | 90.7 | Very high | 92 Ų | 92 | 57 Ų | 57 | 35% | 0.348 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 138.9 | 177.1 | 178.5 | 74.8 | 0 | 0 | 0 | 113.1 | N43 L47 N65 S67 S68 | N43-W45 VanDerWaalsContact OD1-CB 3.3Å; N43-W45 WeakPolarHBondContact OD1-CB 3.38Å; N43-W45 PolarHBondContact OD1-N 3.09Å; W45-L47 VanDerWaalsContact C-N 3.35Å; W45-L47 PolarHBondContact O-N 3.12Å; W45-N65 PolarHBondContact N-O 2.78Å; W45-S67 WeakPolarHBondContact CA-O 3.17Å; W45-S68 PolarHBondContact NE1-OG 2.75Å |
| 46 | G | 91.7 | Very high | 90.9 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 20.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S67 S68 | G46-S67 PolarHBondContact N-O 3.07Å; G46-S68 WeakPolarHBondContact CA-O 3.45Å |
| 47 | L | 92.6 | Very high | 90.8 | Very high | 27 Ų | 27 | 56.8 Ų | 56.8 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -96.1 | 1.9 | -171.6 | -72.7 | 175.7 | 0 | 0 | 0 | 114.9 | L26 L44 W45 L49 N69 | L26-L47 HydrophobicContact CD1-CD1 4.18Å; L26-L47 HydrophobicContact CD2-CD1 4.19Å; L26-L47 HydrophobicContact CG-CD1 4.44Å; L44-L47 HydrophobicContact CB-CD1 3.94Å; L44-L47 HydrophobicContact CD2-CD1 3.59Å; L44-L47 HydrophobicContact CG-CD1 4.38Å; W45-L47 VanDerWaalsContact C-N 3.35Å; W45-L47 PolarHBondContact O-N 3.12Å; L47-L49 HydrophobicContact CB-CD1 4.01Å; L47-L49 HydrophobicContact CB-CD2 4.44Å; L47-L49 HydrophobicContact CB-CG 3.76Å; L47-L49 HydrophobicContact CD1-CD1 4.26Å; L47-L49 PolarHBondContact O-N 3.49Å; L47-N69 VanDerWaalsContact C-OD1 3.26Å; L47-N69 VanDerWaalsContact CA-OD1 3.32Å; L47-N69 WeakPolarHBondContact CA-OD1 3.33Å; L47-N69 WeakPolarHBondContact CB-OD1 3.13Å; L47-N69 PolarHBondContact N-OD1 3.37Å |
| 48 | K | 92.6 | Very high | 90.9 | Very high | 153 Ų | 153 | 52.6 Ų | 52.6 | 67% | 0.665 | 27% | 0.27 | S | S | * | . | trans | 55.8 | 28.9 | -175.2 | -55.3 | -176.1 | 178.3 | -175.6 | 0 | 113.9 | N69 | K48-N69 PolarHBondContact N-OD1 3.34Š| ||
| 49 | L | 93.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | -68.1 | 132.3 | -179.7 | -63.4 | 170.9 | 0 | 0 | 0 | 111.2 | G20 L22 L26 L44 L47 V52 M66 N69 C70 L71 | G20-L49 CarbonylContact O-C 3.14Å; G20-L49 WeakPolarHBondContact O-CA 3.21Å; L22-L49 HydrophobicContact CB-CD2 4.29Å; L22-L49 HydrophobicContact CD1-CD1 4.18Å; L26-L49 HydrophobicContact CD2-CD2 3.96Å; L44-L49 HydrophobicContact CB-CD1 4.05Å; L44-L49 HydrophobicContact CD1-CD1 4.2Å; L44-L49 HydrophobicContact CD2-CD1 4.49Å; L44-L49 HydrophobicContact CG-CD1 4.48Å; L47-L49 HydrophobicContact CB-CD1 4.01Å; L47-L49 HydrophobicContact CB-CD2 4.44Å; L47-L49 HydrophobicContact CB-CG 3.76Å; L47-L49 HydrophobicContact CD1-CD1 4.26Å; L47-L49 PolarHBondContact O-N 3.49Å; L49-V52 HydrophobicContact CB-CG1 4.19Å; L49-V52 HydrophobicContact CD1-CG1 4.45Å; L49-M66 HydrophobicContact CD1-SD 4.36Å; L49-N69 HydrophobicContact CB-CB 4.26Å; L49-N69 PolarHBondContact N-OD1 3.07Å; L49-C70 CarbonylContact O-C 3.45Å; L49-C70 VanDerWaalsContact O-CA 3.29Å; L49-C70 WeakPolarHBondContact O-CA 3.41Å; L49-C70 PolarHBondContact O-N 3.44Å; L49-L71 HydrophobicContact CB-CD2 4.41Å; L49-L71 PolarHBondContact O-N 2.94Å; L49-L71 VanDerWaalsContact O-N 3.15Å | ||
| 50 | K | 93 | Very high | 90.9 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | trans | -107.5 | -43.2 | 171.4 | -65.6 | 177 | 179 | 174.7 | 0 | 111.6 | G20 C70 | G20-K50 PolarHBondContact O-N 3.27Å; K50-C70 HydrophobicContact CG-CB 3.73Å | ||
| 51 | H | 92.3 | Very high | 91 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 39% | 0.394 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -116.3 | 115.3 | -171.4 | -60.8 | -65.2 | 0 | 0 | 0 | 110.8 | G20 Y21 L22 | G20-H51 PolarHBondContact O-N 3.28Å; Y21-H51 HydrophobicContact CD1-CB 3.49Å; Y21-H51 VanDerWaalsContact CD1-CB 3.49Å; Y21-H51 HydrophobicContact CE1-CB 3.59Å; Y21-H51 AromaticContact CE1-CD2 3.64Å; Y21-H51 AromaticContact CE1-CG 3.69Å; Y21-H51 AromaticContact CE2-CD2 3.72Å; Y21-H51 HydrophobicContact CG-CB 4.11Å; Y21-H51 AromaticContact CZ-CD2 3.41Å; Y21-H51 VanDerWaalsContact CZ-CD2 3.41Å; Y21-H51 AromaticContact CZ-CG 3.95Å; L22-H51 PolarHBondContact N-O 3.3Å |
| 52 | V | 93.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | trans | -122.8 | 32.6 | -173.4 | -62.2 | 0 | 0 | 0 | 0 | 112.6 | L22 L49 A54 L55 M66 L71 P76 | L22-V52 HydrophobicContact CB-CB 4.42Å; L22-V52 HydrophobicContact CB-CG1 4.09Å; L22-V52 HydrophobicContact CD2-CB 4.17Å; L22-V52 HydrophobicContact CD2-CG1 4.22Å; L49-V52 HydrophobicContact CB-CG1 4.19Å; L49-V52 HydrophobicContact CD1-CG1 4.45Å; V52-A54 PolarHBondContact O-N 3.28Å; V52-A54 VanDerWaalsContact O-N 3.12Å; V52-L55 HydrophobicContact CB-CD1 3.8Å; V52-L55 HydrophobicContact CB-CG 4Å; V52-L55 HydrophobicContact CG2-CD1 3.72Å; V52-L55 HydrophobicContact CG2-CG 4.39Å; V52-L55 WeakPolarHBondContact O-CB 3.01Å; V52-L55 VanDerWaalsContact O-CG 3.23Å; V52-L55 WeakPolarHBondContact O-CG 3.46Å; V52-L55 PolarHBondContact O-N 3Å; V52-M66 HydrophobicContact CB-SD 4.47Å; V52-M66 HydrophobicContact CG1-CE 4.44Å; V52-M66 HydrophobicContact CG1-SD 3.81Å; V52-M66 HydrophobicContact CG2-CE 4.39Å; V52-L71 HydrophobicContact CB-CD2 4.33Å; V52-L71 HydrophobicContact CG1-CD2 3.47Å; V52-L71 VanDerWaalsContact CG1-CD2 3.47Å; V52-L71 HydrophobicContact CG2-CD2 3.86Å; V52-P76 HydrophobicContact CG2-CB 4.02Å; V52-P76 HydrophobicContact CG2-CG 4Å; V52-P76 WeakPolarHBondContact O-CB 3.45Å | ||
| 53 | S | 90.4 | Very high | 91.2 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 54% | 0.538 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -55 | -29.3 | 178 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | L55 K56 | S53-L55 PolarHBondContact O-N 3.17Å; S53-L55 VanDerWaalsContact O-N 3.11Å; S53-K56 WeakPolarHBondContact O-CB 3.27Å; S53-K56 WeakPolarHBondContact O-CG 3.3Å; S53-K56 PolarHBondContact O-N 3.41Å; S53-K56 VanDerWaalsContact O-N 3.13Å |
| 54 | A | 88.2 | Confident | 91.3 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 17% | 0.174 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -60.9 | -16 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L22 I27 V52 K56 C57 | L22-A54 HydrophobicContact CD2-CB 4.45Å; L22-A54 HydrophobicContact CG-CB 4.36Å; L22-A54 WeakPolarHBondContact O-CB 3.41Å; I27-A54 HydrophobicContact CD1-CB 3.8Å; V52-A54 PolarHBondContact O-N 3.28Å; V52-A54 VanDerWaalsContact O-N 3.12Å; A54-K56 PolarHBondContact O-N 2.72Å; A54-C57 PolarHBondContact O-N 3.17Å |
| 55 | L | 90 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -64.3 | -27.8 | 173.6 | -60.8 | 179.9 | 0 | 0 | 0 | 112.7 | L22 V52 S53 C57 M58 I64 M66 F77 C80 | L22-L55 HydrophobicContact CD2-CD2 3.6Å; L22-L55 HydrophobicContact CD2-CG 4.03Å; V52-L55 HydrophobicContact CB-CD1 3.8Å; V52-L55 HydrophobicContact CB-CG 4Å; V52-L55 HydrophobicContact CG2-CD1 3.72Å; V52-L55 HydrophobicContact CG2-CG 4.39Å; V52-L55 WeakPolarHBondContact O-CB 3.01Å; V52-L55 VanDerWaalsContact O-CG 3.23Å; V52-L55 WeakPolarHBondContact O-CG 3.46Å; V52-L55 PolarHBondContact O-N 3Å; S53-L55 PolarHBondContact O-N 3.17Å; S53-L55 VanDerWaalsContact O-N 3.11Å; L55-C57 PolarHBondContact O-N 3.21Å; L55-M58 HydrophobicContact CB-CE 4.44Å; L55-M58 HydrophobicContact CD2-CE 3.24Å; L55-M58 HydrophobicContact CG-CE 4.37Å; L55-M58 PolarHBondContact O-N 3.01Å; L55-I64 HydrophobicContact CD1-CD1 4.2Å; L55-I64 HydrophobicContact CD2-CD1 3.63Å; L55-M66 HydrophobicContact CD1-CE 3.58Å; L55-M66 HydrophobicContact CD1-SD 4.41Å; L55-F77 HydrophobicContact CD1-CD1 3.97Å; L55-F77 HydrophobicContact CD1-CE1 3.73Å; L55-F77 HydrophobicContact CD1-CZ 4.18Å; L55-C80 PolarHBondContact O-SG 3.33Å |
| 56 | K | 86.1 | Confident | 91.6 | Very high | 51 Ų | 51 | 43.4 Ų | 43.4 | 22% | 0.222 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -58.7 | -20.9 | 179.3 | -64 | -170.6 | 174.1 | -172 | 0 | 113.3 | S53 A54 E75 N79 I181 | S53-K56 WeakPolarHBondContact O-CB 3.27Å; S53-K56 WeakPolarHBondContact O-CG 3.3Å; S53-K56 PolarHBondContact O-N 3.41Å; S53-K56 VanDerWaalsContact O-N 3.13Å; A54-K56 PolarHBondContact O-N 2.72Å; K56-E75 WeakPolarHBondContact CE-OE1 3.37Å; K56-E75 IonicContact NZ-OE1 2.65Å; K56-E75 PolarHBondContact NZ-OE1 3.09Å; K56-N79 HydrophobicContact CB-CB 4.19Å; K56-N79 WeakPolarHBondContact CD-OD1 3.49Å; K56-N79 WeakPolarHBondContact CE-OD1 3.38Å; K56-N79 HydrophobicContact CG-CB 4.14Å; K56-N79 WeakPolarHBondContact CG-OD1 3.32Å; K56-I181 HydrophobicContact CB-CD1 4.44Å |
| 57 | C | 82.3 | Confident | 91.8 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 46% | 0.459 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -93.1 | 6.4 | 179.2 | -56.1 | 0 | 0 | 0 | 0 | 114.5 | V36 A54 L55 P59 | V36-C57 HydrophobicContact CG1-CB 4.32Å; V36-C57 WeakPolarHBondContact CG1-O 3.37Å; A54-C57 PolarHBondContact O-N 3.17Å; L55-C57 PolarHBondContact O-N 3.21Å; C57-P59 WeakPolarHBondContact O-CD 3.44Å |
| 58 | M | 88.6 | Confident | 91.9 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -110.6 | 81 | 179.5 | -74 | -171.9 | -74.2 | 0 | 0 | 112.2 | I27 V36 I39 L42 L55 N60 L61 | I27-M58 HydrophobicContact CD1-CE 4.24Å; I27-M58 HydrophobicContact CG2-SD 4.31Å; V36-M58 HydrophobicContact CB-CG 4.45Å; V36-M58 HydrophobicContact CG1-CB 4.42Å; V36-M58 HydrophobicContact CG1-CG 3.26Å; V36-M58 HydrophobicContact CG1-SD 4.26Å; I39-M58 HydrophobicContact CB-SD 4.17Å; I39-M58 HydrophobicContact CD1-SD 3.95Å; I39-M58 HydrophobicContact CG2-SD 4.19Å; L42-M58 HydrophobicContact CD2-CE 3.91Å; L42-M58 HydrophobicContact CD2-SD 4.16Å; L55-M58 HydrophobicContact CB-CE 4.44Å; L55-M58 HydrophobicContact CD2-CE 3.24Å; L55-M58 HydrophobicContact CG-CE 4.37Å; L55-M58 PolarHBondContact O-N 3.01Å; M58-N60 VanDerWaalsContact C-N 3.3Å; M58-N60 PolarHBondContact O-N 2.92Å; M58-L61 HydrophobicContact CB-CB 4.04Å; M58-L61 HydrophobicContact CE-CD2 4.23Å | ||
| 59 | P | 84.9 | Confident | 92.1 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25.6 | -176.1 | 28.2 | -35.6 | 0 | 0 | 0 | 113.6 | Q37 C57 N82 | Q37-P59 VanDerWaalsContact OE1-CD 3.27Å; C57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-N82 WeakPolarHBondContact O-CB 3.47Å; P59-N82 PolarHBondContact O-ND2 3.45Å |
| 60 | N | 90.5 | Very high | 92.1 | Very high | 70 Ų | 70 | 36.6 Ų | 36.6 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 6.6 | -175.6 | -71.9 | -45.7 | 0 | 0 | 0 | 114.5 | Q37 I39 T40 M58 K62 | Q37-N60 PolarHBondContact O-ND2 2.87Å; I39-N60 CarbonylContact O-C 3.23Å; T40-N60 WeakPolarHBondContact CA-O 3.43Å; M58-N60 VanDerWaalsContact C-N 3.3Å; M58-N60 PolarHBondContact O-N 2.92Å; N60-K62 PolarHBondContact O-N 3.2Å |
| 61 | L | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -69.7 | 118.7 | 180 | -177.2 | 68.3 | 0 | 0 | 0 | 111 | I39 L42 M58 I64 N82 L83 | I39-L61 HydrophobicContact CG2-CD1 4.26Å; I39-L61 WeakPolarHBondContact O-CA 3.39Å; I39-L61 PolarHBondContact O-N 3.44Å; L42-L61 HydrophobicContact CB-CD1 3.9Å; M58-L61 HydrophobicContact CB-CB 4.04Å; M58-L61 HydrophobicContact CE-CD2 4.23Å; L61-I64 HydrophobicContact CD2-CB 4.19Å; L61-I64 HydrophobicContact CD2-CD1 3.89Å; L61-N82 CarbonylContact O-C 3.55Å; L61-L83 HydrophobicContact CD2-CD1 4.3Å; L61-L83 HydrophobicContact CG-CD1 4.05Å; L61-L83 WeakPolarHBondContact O-CA 3.4Å; L61-L83 PolarHBondContact O-N 3.43Å | ||
| 62 | K | 95.2 | Very high | 92.4 | Very high | 108 Ų | 108 | 33.1 Ų | 33.1 | 47% | 0.47 | 19% | 0.188 | S | C | . | . | trans | -106 | -34 | -179.7 | -60.4 | -165 | 174.5 | -169 | 0 | 113.7 | T40 N60 C84 E85 | T40-K62 WeakPolarHBondContact O-CA 3.25Å; T40-K62 PolarHBondContact O-N 2.95Å; N60-K62 PolarHBondContact O-N 3.2Å; K62-C84 WeakPolarHBondContact O-CA 3.28Å; K62-C84 PolarHBondContact O-N 2.82Å; K62-E85 PolarHBondContact O-N 3.37Å | ||
| 63 | I | 96 | Very high | 92.5 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.8 | -177.3 | -56.8 | -179.6 | 0 | 0 | 0 | 109.4 | T40 K41 L42 E85 Y87 L217 | T40-I63 PolarHBondContact O-N 3.35Å; K41-I63 CarbonylContact C-O 3.51Å; K41-I63 WeakPolarHBondContact CA-O 3.38Å; K41-I63 HydrophobicContact CB-CB 4.46Å; K41-I63 HydrophobicContact CD-CD1 4.19Å; K41-I63 HydrophobicContact CG-CB 4.17Å; K41-I63 HydrophobicContact CG-CD1 4.31Å; K41-I63 HydrophobicContact CG-CG1 4.46Å; L42-I63 PolarHBondContact N-O 3.43Å; I63-E85 WeakPolarHBondContact CA-O 3.35Å; I63-E85 HydrophobicContact CB-CB 4.39Å; I63-E85 HydrophobicContact CD1-CG 4.45Å; I63-E85 HydrophobicContact CG1-CB 4.09Å; I63-E85 HydrophobicContact CG1-CG 4.13Å; I63-E85 HydrophobicContact CG2-CB 4.06Å; I63-Y87 HydrophobicContact CG2-CE2 4.18Å; I63-L217 HydrophobicContact CB-CD1 4.42Å; I63-L217 HydrophobicContact CG2-CD1 3.41Å; I63-L217 VanDerWaalsContact CG2-CD1 3.41Å |
| 64 | I | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.7 | 173.3 | -166.9 | 162.7 | 0 | 0 | 0 | 112.3 | L42 L44 L55 L61 M66 F77 L83 E85 L86 Y87 | L42-I64 HydrophobicContact CB-CG1 4.43Å; L42-I64 HydrophobicContact CD2-CD1 4.4Å; L42-I64 WeakPolarHBondContact O-CA 3.39Å; L44-I64 HydrophobicContact CD1-CD1 4.33Å; L55-I64 HydrophobicContact CD1-CD1 4.2Å; L55-I64 HydrophobicContact CD2-CD1 3.63Å; L61-I64 HydrophobicContact CD2-CB 4.19Å; L61-I64 HydrophobicContact CD2-CD1 3.89Å; I64-M66 HydrophobicContact CD1-CE 3.76Å; I64-M66 HydrophobicContact CD1-CG 4.25Å; I64-M66 HydrophobicContact CD1-SD 4.09Å; I64-M66 HydrophobicContact CG1-CE 4.32Å; I64-M66 HydrophobicContact CG1-CG 4.17Å; I64-F77 HydrophobicContact CG2-CE1 4.16Å; I64-L83 HydrophobicContact CB-CD1 4.39Å; I64-L83 HydrophobicContact CG2-CD1 3.85Å; I64-L83 HydrophobicContact CG2-CD2 4.31Å; I64-E85 PolarHBondContact N-O 3.19Å; I64-L86 HydrophobicContact CG2-CD1 3.48Å; I64-L86 VanDerWaalsContact CG2-CD1 3.48Å; I64-Y87 PolarHBondContact O-N 3.49Å |
| 65 | N | 96.1 | Very high | 93 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 17% | 0.171 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 115.2 | 167.8 | -170.4 | -8.8 | 0 | 0 | 0 | 110.4 | L42 L44 W45 S67 Y87 L217 | L42-N65 PolarHBondContact O-N 3.49Å; L44-N65 CarbonylContact C-O 3.45Å; L44-N65 WeakPolarHBondContact CA-O 3.17Å; L44-N65 PolarHBondContact N-O 2.92Å; W45-N65 PolarHBondContact N-O 2.78Å; N65-S67 WeakPolarHBondContact OD1-CB 3.5Å; N65-S67 PolarHBondContact OD1-N 2.86Å; N65-S67 PolarHBondContact OD1-OG 2.68Å; N65-Y87 HydrophobicContact CB-CD2 4.28Å; N65-L217 HydrophobicContact CB-CD2 4.29Å |
| 66 | M | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -128.4 | 28.9 | 173.1 | -81.7 | -169.4 | -54.5 | 0 | 0 | 111.5 | L44 L49 V52 L55 I64 N69 L71 F77 Y87 I88 N91 | L44-M66 HydrophobicContact CB-CG 3.53Å; L44-M66 HydrophobicContact CB-SD 4.29Å; L44-M66 HydrophobicContact CD1-CG 4.03Å; L44-M66 HydrophobicContact CD1-SD 3.79Å; L44-M66 HydrophobicContact CG-CG 4.39Å; L49-M66 HydrophobicContact CD1-SD 4.36Å; V52-M66 HydrophobicContact CB-SD 4.47Å; V52-M66 HydrophobicContact CG1-CE 4.44Å; V52-M66 HydrophobicContact CG1-SD 3.81Å; V52-M66 HydrophobicContact CG2-CE 4.39Å; L55-M66 HydrophobicContact CD1-CE 3.58Å; L55-M66 HydrophobicContact CD1-SD 4.41Å; I64-M66 HydrophobicContact CD1-CE 3.76Å; I64-M66 HydrophobicContact CD1-CG 4.25Å; I64-M66 HydrophobicContact CD1-SD 4.09Å; I64-M66 HydrophobicContact CG1-CE 4.32Å; I64-M66 HydrophobicContact CG1-CG 4.17Å; M66-N69 VanDerWaalsContact C-ND2 3.28Å; M66-N69 WeakPolarHBondContact CA-ND2 3.46Å; M66-N69 PolarHBondContact O-ND2 3.4Å; M66-L71 HydrophobicContact CB-CD1 4.05Å; M66-L71 HydrophobicContact CE-CD1 3.85Å; M66-L71 HydrophobicContact SD-CD1 4.31Å; M66-F77 HydrophobicContact CE-CE1 3.33Å; M66-F77 HydrophobicContact CE-CE2 4.29Å; M66-F77 HydrophobicContact CE-CZ 3.15Å; M66-Y87 CarbonylContact C-O 3.58Å; M66-Y87 PolarHBondContact N-O 2.65Å; M66-I88 HydrophobicContact CB-CG2 4.29Å; M66-N91 PolarHBondContact O-ND2 3.37Å | ||
| 67 | S | 95.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 154.6 | 172.6 | -51 | 0 | 0 | 0 | 0 | 111 | W45 G46 N65 N69 Y87 R89 | W45-S67 WeakPolarHBondContact CA-O 3.17Å; G46-S67 PolarHBondContact N-O 3.07Å; N65-S67 WeakPolarHBondContact OD1-CB 3.5Å; N65-S67 PolarHBondContact OD1-N 2.86Å; N65-S67 PolarHBondContact OD1-OG 2.68Å; S67-N69 VanDerWaalsContact C-N 3.34Å; S67-N69 PolarHBondContact O-N 3.24Å; S67-N69 PolarHBondContact O-ND2 2.98Å; S67-Y87 PolarHBondContact N-O 2.86Å; S67-Y87 VanDerWaalsContact N-O 3.17Å; S67-Y87 PolarHBondContact OG-O 3.12Å; S67-R89 CarbonylContact C-O 3.52Å; S67-R89 WeakPolarHBondContact CA-O 3.2Å; S67-R89 WeakPolarHBondContact CB-O 3.36Å; S67-R89 PolarHBondContact OG-N 3.46Å |
| 68 | S | 95.4 | Very high | 93.9 | Very high | 40 Ų | 40 | 29.5 Ų | 29.5 | 28% | 0.28 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 42 | -179.5 | -47.5 | 0 | 0 | 0 | 0 | 113.9 | W45 G46 R89 S90 | W45-S68 PolarHBondContact NE1-OG 2.75Å; G46-S68 WeakPolarHBondContact CA-O 3.45Å; S68-R89 PolarHBondContact N-O 2.74Å; S68-S90 WeakPolarHBondContact CA-O 3.45Å; S68-S90 PolarHBondContact N-O 3.19Å |
| 69 | N | 96.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -111.1 | -158.9 | 170.9 | -79 | -67.3 | 0 | 0 | 0 | 109.9 | L44 L47 K48 L49 M66 S67 L71 N91 | L44-N69 PolarHBondContact O-ND2 3.05Å; L47-N69 VanDerWaalsContact C-OD1 3.26Å; L47-N69 VanDerWaalsContact CA-OD1 3.32Å; L47-N69 WeakPolarHBondContact CA-OD1 3.33Å; L47-N69 WeakPolarHBondContact CB-OD1 3.13Å; L47-N69 PolarHBondContact N-OD1 3.37Å; K48-N69 PolarHBondContact N-OD1 3.34Å; L49-N69 HydrophobicContact CB-CB 4.26Å; L49-N69 PolarHBondContact N-OD1 3.07Å; M66-N69 VanDerWaalsContact C-ND2 3.28Å; M66-N69 WeakPolarHBondContact CA-ND2 3.46Å; M66-N69 PolarHBondContact O-ND2 3.4Å; S67-N69 VanDerWaalsContact C-N 3.34Å; S67-N69 PolarHBondContact O-N 3.24Å; S67-N69 PolarHBondContact O-ND2 2.98Å; N69-L71 HydrophobicContact CB-CG 4.31Å; N69-N91 VanDerWaalsContact CA-OD1 3.26Å; N69-N91 WeakPolarHBondContact CA-OD1 3.4Å; N69-N91 WeakPolarHBondContact CB-OD1 3.34Å; N69-N91 PolarHBondContact N-OD1 2.9Å; N69-N91 PolarHBondContact O-OD1 3.48Å |
| 70 | C | 95.6 | Very high | 94.3 | Very high | 25 Ų | 25 | 27.8 Ų | 27.8 | 17% | 0.169 | 15% | 0.147 | C | C | . | . | trans | -127.6 | 32.7 | 179.6 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | L49 K50 Q72 N91 Q92 | L49-C70 CarbonylContact O-C 3.45Å; L49-C70 VanDerWaalsContact O-CA 3.29Å; L49-C70 WeakPolarHBondContact O-CA 3.41Å; L49-C70 PolarHBondContact O-N 3.44Å; K50-C70 HydrophobicContact CG-CB 3.73Å; C70-Q72 PolarHBondContact O-N 2.96Å; C70-N91 PolarHBondContact N-OD1 2.63Å; C70-Q92 HydrophobicContact CB-CG 4.47Å | ||
| 71 | L | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -63.9 | 130.7 | 179.2 | -57.4 | 177.8 | 0 | 0 | 0 | 109.7 | L49 V52 M66 N69 F77 I88 N91 Q92 I93 | L49-L71 HydrophobicContact CB-CD2 4.41Å; L49-L71 PolarHBondContact O-N 2.94Å; L49-L71 VanDerWaalsContact O-N 3.15Å; V52-L71 HydrophobicContact CB-CD2 4.33Å; V52-L71 HydrophobicContact CG1-CD2 3.47Å; V52-L71 VanDerWaalsContact CG1-CD2 3.47Å; V52-L71 HydrophobicContact CG2-CD2 3.86Å; M66-L71 HydrophobicContact CB-CD1 4.05Å; M66-L71 HydrophobicContact CE-CD1 3.85Å; M66-L71 HydrophobicContact SD-CD1 4.31Å; N69-L71 HydrophobicContact CB-CG 4.31Å; L71-F77 HydrophobicContact CD1-CE2 4.47Å; L71-F77 HydrophobicContact CD1-CZ 4.17Å; L71-I88 HydrophobicContact CD1-CG2 4.08Å; L71-N91 HydrophobicContact CB-CB 4.12Å; L71-N91 WeakPolarHBondContact CB-OD1 3.3Å; L71-N91 VanDerWaalsContact CG-OD1 3.29Å; L71-N91 WeakPolarHBondContact CG-OD1 3.38Å; L71-N91 PolarHBondContact N-OD1 3.23Å; L71-Q92 CarbonylContact O-C 3.33Å; L71-Q92 VanDerWaalsContact O-CA 3.27Å; L71-Q92 WeakPolarHBondContact O-CA 3.3Å; L71-Q92 PolarHBondContact O-N 2.9Å; L71-I93 PolarHBondContact O-N 3.05Å | ||
| 72 | Q | 95.2 | Very high | 94.3 | Very high | 110 Ų | 110 | 31.6 Ų | 31.6 | 51% | 0.514 | 17% | 0.166 | S | C | . | . | trans | -109.8 | -21.6 | 178.2 | -67.2 | 177.7 | 0.1 | 0 | 0 | 112.7 | C70 Q92 | C70-Q72 PolarHBondContact O-N 2.96Å; Q72-Q92 HydrophobicContact CG-CB 3.79Å; Q72-Q92 VanDerWaalsContact NE2-OE1 3.09Å | ||
| 73 | S | 94.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 26.4 Ų | 26.4 | 27% | 0.273 | 14% | 0.144 | S | C | . | . | trans | -131.1 | 151.7 | -179.2 | 174.5 | 0 | 0 | 0 | 0 | 112.3 | E75 E98 | S73-E75 PolarHBondContact OG-N 3.23Å; S73-E98 WeakPolarHBondContact CA-OE2 3.43Å; S73-E98 VanDerWaalsContact CB-OE2 3.22Å; S73-E98 WeakPolarHBondContact CB-OE2 3.22Å; S73-E98 PolarHBondContact OG-OE2 2.8Å | ||
| 74 | L | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -106.3 | -0.9 | 177 | -63.9 | 177.4 | 0 | 0 | 0 | 113.5 | P76 F77 I88 I93 E98 V99 H101 L102 | L74-P76 VanDerWaalsContact C-N 3.33Å; L74-F77 HydrophobicContact CB-CD2 4.3Å; L74-F77 HydrophobicContact CD2-CD2 3.87Å; L74-F77 HydrophobicContact CD2-CE2 3.59Å; L74-F77 HydrophobicContact CD2-CZ 4.49Å; L74-F77 WeakPolarHBondContact O-CD2 3.29Å; L74-F77 PolarHBondContact O-N 3.14Å; L74-F77 VanDerWaalsContact O-N 3.15Å; L74-I88 HydrophobicContact CD1-CD1 4.46Å; L74-I88 HydrophobicContact CD2-CD1 3.59Å; L74-I93 HydrophobicContact CD1-CD1 4.14Å; L74-I93 HydrophobicContact CD2-CD1 3.63Å; L74-I93 HydrophobicContact CG-CD1 3.92Å; L74-E98 HydrophobicContact CB-CB 4.23Å; L74-E98 WeakPolarHBondContact CB-O 3.48Å; L74-E98 HydrophobicContact CD1-CB 4.12Å; L74-E98 HydrophobicContact CG-CB 4.15Å; L74-E98 PolarHBondContact N-OE2 2.7Å; L74-V99 HydrophobicContact CD1-CG2 4.39Å; L74-H101 HydrophobicContact CB-CB 4.38Å; L74-L102 HydrophobicContact CB-CD2 4.33Å; L74-L102 HydrophobicContact CB-CG 4.5Å; L74-L102 HydrophobicContact CD1-CD1 3.95Å; L74-L102 HydrophobicContact CD1-CG 4.15Å | ||
| 75 | E | 94 | Very high | 94.5 | Very high | 83 Ų | 83 | 27.9 Ų | 27.9 | 39% | 0.388 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -49.8 | -42.4 | 177.1 | -167.3 | -131 | 120.2 | 0 | 0 | 114 | K56 S73 F77 S78 | K56-E75 WeakPolarHBondContact CE-OE1 3.37Å; K56-E75 IonicContact NZ-OE1 2.65Å; K56-E75 PolarHBondContact NZ-OE1 3.09Å; S73-E75 PolarHBondContact OG-N 3.23Å; E75-F77 PolarHBondContact O-N 3.44Å; E75-F77 VanDerWaalsContact O-N 3.13Å; E75-S78 WeakPolarHBondContact O-CB 3.29Å; E75-S78 PolarHBondContact O-N 3.31Å; E75-S78 VanDerWaalsContact O-N 3.13Å; E75-S78 PolarHBondContact O-OG 3.43Å |
| 76 | P | 91.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 26.4 Ų | 26.4 | 11% | 0.11 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -64.8 | -19.4 | -177.4 | -23.6 | 36 | 0 | 0 | 0 | 115.5 | V52 L74 | V52-P76 HydrophobicContact CG2-CB 4.02Å; V52-P76 HydrophobicContact CG2-CG 4Å; V52-P76 WeakPolarHBondContact O-CB 3.45Å; L74-P76 VanDerWaalsContact C-N 3.33Å |
| 77 | F | 93.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -80.1 | -19.1 | 178.5 | -60.6 | -90.4 | 0 | 0 | 0 | 112.9 | L55 I64 M66 L71 L74 E75 N79 C80 L83 L86 I88 L102 L105 | L55-F77 HydrophobicContact CD1-CD1 3.97Å; L55-F77 HydrophobicContact CD1-CE1 3.73Å; L55-F77 HydrophobicContact CD1-CZ 4.18Å; I64-F77 HydrophobicContact CG2-CE1 4.16Å; M66-F77 HydrophobicContact CE-CE1 3.33Å; M66-F77 HydrophobicContact CE-CE2 4.29Å; M66-F77 HydrophobicContact CE-CZ 3.15Å; L71-F77 HydrophobicContact CD1-CE2 4.47Å; L71-F77 HydrophobicContact CD1-CZ 4.17Å; L74-F77 HydrophobicContact CB-CD2 4.3Å; L74-F77 HydrophobicContact CD2-CD2 3.87Å; L74-F77 HydrophobicContact CD2-CE2 3.59Å; L74-F77 HydrophobicContact CD2-CZ 4.49Å; L74-F77 WeakPolarHBondContact O-CD2 3.29Å; L74-F77 PolarHBondContact O-N 3.14Å; L74-F77 VanDerWaalsContact O-N 3.15Å; E75-F77 PolarHBondContact O-N 3.44Å; E75-F77 VanDerWaalsContact O-N 3.13Å; F77-N79 PolarHBondContact O-N 3.16Å; F77-C80 WeakPolarHBondContact O-CB 3.29Å; F77-C80 PolarHBondContact O-N 2.88Å; F77-L83 HydrophobicContact CD1-CD2 4.27Å; F77-L86 HydrophobicContact CD1-CD1 3.84Å; F77-L86 HydrophobicContact CD1-CD2 4.13Å; F77-L86 HydrophobicContact CE1-CD1 3.29Å; F77-L86 HydrophobicContact CE1-CD2 4.26Å; F77-L86 HydrophobicContact CE1-CG 4.44Å; F77-L86 HydrophobicContact CG-CD2 4.37Å; F77-L86 HydrophobicContact CZ-CD1 3.81Å; F77-I88 HydrophobicContact CZ-CG2 4.04Å; F77-L102 HydrophobicContact CB-CD2 3.76Å; F77-L102 HydrophobicContact CG-CD2 4.31Å; F77-L105 HydrophobicContact CB-CD1 4.38Å; F77-L105 WeakPolarHBondContact O-CD2 3.48Å |
| 78 | S | 91.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.4 | -174.9 | 64.6 | 0 | 0 | 0 | 0 | 114.3 | E75 H101 P178 | E75-S78 WeakPolarHBondContact O-CB 3.29Å; E75-S78 PolarHBondContact O-N 3.31Å; E75-S78 VanDerWaalsContact O-N 3.13Å; E75-S78 PolarHBondContact O-OG 3.43Å; S78-H101 WeakPolarHBondContact CB-O 3.18Å; S78-P178 WeakPolarHBondContact O-CG 3.22Å |
| 79 | N | 88.7 | Confident | 94.7 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -12.7 | 175.4 | -67.7 | 94 | 0 | 0 | 0 | 114 | K56 F77 L81 Q179 | K56-N79 HydrophobicContact CB-CB 4.19Å; K56-N79 WeakPolarHBondContact CD-OD1 3.49Å; K56-N79 WeakPolarHBondContact CE-OD1 3.38Å; K56-N79 HydrophobicContact CG-CB 4.14Å; K56-N79 WeakPolarHBondContact CG-OD1 3.32Å; F77-N79 PolarHBondContact O-N 3.16Å; N79-L81 VanDerWaalsContact C-N 3.26Å; N79-L81 PolarHBondContact O-N 3.21Å; N79-Q179 PolarHBondContact ND2-O 2.95Å |
| 80 | C | 92.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | trans | -84.1 | 59 | -175.5 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | L55 F77 N82 L83 L105 | L55-C80 PolarHBondContact O-SG 3.33Å; F77-C80 WeakPolarHBondContact O-CB 3.29Å; F77-C80 PolarHBondContact O-N 2.88Å; C80-N82 PolarHBondContact O-N 3.39Å; C80-L83 HydrophobicContact CB-CB 4.13Å; C80-L83 WeakPolarHBondContact O-CB 3.25Å; C80-L83 PolarHBondContact O-N 2.96Å; C80-L105 WeakPolarHBondContact O-CD2 3.26Å | ||
| 81 | L | 91.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 31.1 Ų | 31.1 | 44% | 0.435 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -23.5 | -167.9 | -57.3 | -179.7 | 0 | 0 | 0 | 115.6 | N79 | N79-L81 VanDerWaalsContact C-N 3.26Å; N79-L81 PolarHBondContact O-N 3.21Å |
| 82 | N | 93.5 | Very high | 94.8 | Very high | 66 Ų | 66 | 34.8 Ų | 34.8 | 35% | 0.353 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 7 | 177.9 | -71.8 | -55.1 | 0 | 0 | 0 | 114.4 | P59 L61 C80 C84 | P59-N82 WeakPolarHBondContact O-CB 3.47Å; P59-N82 PolarHBondContact O-ND2 3.45Å; L61-N82 CarbonylContact O-C 3.55Å; C80-N82 PolarHBondContact O-N 3.39Å; N82-C84 PolarHBondContact O-N 3.14Å |
| 83 | L | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -73.1 | 120.9 | -175.8 | -168.2 | 72.7 | 0 | 0 | 0 | 111.5 | L61 I64 F77 C80 L86 L105 M107 L108 | L61-L83 HydrophobicContact CD2-CD1 4.3Å; L61-L83 HydrophobicContact CG-CD1 4.05Å; L61-L83 WeakPolarHBondContact O-CA 3.4Å; L61-L83 PolarHBondContact O-N 3.43Å; I64-L83 HydrophobicContact CB-CD1 4.39Å; I64-L83 HydrophobicContact CG2-CD1 3.85Å; I64-L83 HydrophobicContact CG2-CD2 4.31Å; F77-L83 HydrophobicContact CD1-CD2 4.27Å; C80-L83 HydrophobicContact CB-CB 4.13Å; C80-L83 WeakPolarHBondContact O-CB 3.25Å; C80-L83 PolarHBondContact O-N 2.96Å; L83-L86 HydrophobicContact CD2-CB 4.01Å; L83-L86 HydrophobicContact CD2-CD1 4.31Å; L83-L86 HydrophobicContact CD2-CD2 4.22Å; L83-L86 HydrophobicContact CD2-CG 4.41Å; L83-L105 HydrophobicContact CD2-CD1 4.12Å; L83-M107 CarbonylContact O-C 3.45Å; L83-M107 VanDerWaalsContact O-C 3.28Å; L83-L108 HydrophobicContact CG-CD1 4.49Å; L83-L108 VanDerWaalsContact O-CA 3.26Å; L83-L108 WeakPolarHBondContact O-CA 3.29Å; L83-L108 PolarHBondContact O-N 3.25Å | ||
| 84 | C | 96.8 | Very high | 94.9 | Very high | 23 Ų | 23 | 32.3 Ų | 32.3 | 16% | 0.155 | 17% | 0.166 | C | C | . | . | trans | -102.9 | -33.7 | 179.9 | -58.3 | 0 | 0 | 0 | 0 | 113.5 | K62 N82 M107 E109 K110 | K62-C84 WeakPolarHBondContact O-CA 3.28Å; K62-C84 PolarHBondContact O-N 2.82Å; N82-C84 PolarHBondContact O-N 3.14Å; C84-M107 VanDerWaalsContact CA-O 3.29Å; C84-M107 WeakPolarHBondContact CA-O 3.38Å; C84-E109 PolarHBondContact O-N 2.92Å; C84-K110 PolarHBondContact O-N 2.83Å; C84-K110 VanDerWaalsContact O-N 3.09Å | ||
| 85 | E | 97.7 | Very high | 94.8 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 15% | 0.15 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 123.3 | -178.9 | -54.8 | -171.8 | 168.3 | 0 | 0 | 111.6 | K62 I63 I64 Y87 K110 | K62-E85 PolarHBondContact O-N 3.37Å; I63-E85 WeakPolarHBondContact CA-O 3.35Å; I63-E85 HydrophobicContact CB-CB 4.39Å; I63-E85 HydrophobicContact CD1-CG 4.45Å; I63-E85 HydrophobicContact CG1-CB 4.09Å; I63-E85 HydrophobicContact CG1-CG 4.13Å; I63-E85 HydrophobicContact CG2-CB 4.06Å; I64-E85 PolarHBondContact N-O 3.19Å; E85-Y87 HydrophobicContact CB-CE2 3.79Å; E85-Y87 WeakPolarHBondContact OE2-CE2 3.36Å; E85-Y87 PolarHBondContact OE2-OH 3.47Å; E85-K110 WeakPolarHBondContact CA-O 3.44Å; E85-K110 HydrophobicContact CB-CB 4.38Å; E85-K110 HydrophobicContact CG-CB 4.16Å; E85-K110 HydrophobicContact CG-CD 4.03Å; E85-K110 HydrophobicContact CG-CG 4.25Å; E85-K110 WeakPolarHBondContact OE1-CD 3.21Å; E85-K110 WeakPolarHBondContact OE1-CE 3.34Å; E85-K110 IonicContact OE1-NZ 3.81Å; E85-K110 PolarHBondContact OE1-NZ 3.35Å |
| 86 | L | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 106.5 | -178.9 | 178.1 | 52.7 | 0 | 0 | 0 | 111.3 | I64 F77 L83 I88 L102 L108 K110 L111 W112 | I64-L86 HydrophobicContact CG2-CD1 3.48Å; I64-L86 VanDerWaalsContact CG2-CD1 3.48Å; F77-L86 HydrophobicContact CD1-CD1 3.84Å; F77-L86 HydrophobicContact CD1-CD2 4.13Å; F77-L86 HydrophobicContact CE1-CD1 3.29Å; F77-L86 HydrophobicContact CE1-CD2 4.26Å; F77-L86 HydrophobicContact CE1-CG 4.44Å; F77-L86 HydrophobicContact CG-CD2 4.37Å; F77-L86 HydrophobicContact CZ-CD1 3.81Å; L83-L86 HydrophobicContact CD2-CB 4.01Å; L83-L86 HydrophobicContact CD2-CD1 4.31Å; L83-L86 HydrophobicContact CD2-CD2 4.22Å; L83-L86 HydrophobicContact CD2-CG 4.41Å; L86-I88 HydrophobicContact CD1-CG2 3.6Å; L86-I88 HydrophobicContact CD2-CD1 4.2Å; L86-I88 HydrophobicContact CG-CD1 4.19Å; L86-I88 HydrophobicContact CG-CG1 4.26Å; L86-I88 HydrophobicContact CG-CG2 4.18Å; L86-L102 HydrophobicContact CD2-CD1 3.87Å; L86-L102 HydrophobicContact CD2-CD2 3.73Å; L86-L102 HydrophobicContact CD2-CG 4.49Å; L86-L108 HydrophobicContact CB-CD1 3.83Å; L86-K110 PolarHBondContact N-O 2.89Å; L86-L111 HydrophobicContact CB-CD1 3.98Å; L86-L111 HydrophobicContact CD2-CD1 3.83Å; L86-L111 HydrophobicContact CG-CD1 3.82Å; L86-L111 WeakPolarHBondContact O-CA 3.5Å; L86-W112 PolarHBondContact O-N 3.11Å |
| 87 | Y | 97.5 | Very high | 94.9 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 15% | 0.145 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 108.8 | 177.3 | -51.2 | -73.8 | 0 | 0 | 0 | 110.8 | I63 I64 N65 M66 S67 E85 W112 | I63-Y87 HydrophobicContact CG2-CE2 4.18Å; I64-Y87 PolarHBondContact O-N 3.49Å; N65-Y87 HydrophobicContact CB-CD2 4.28Å; M66-Y87 CarbonylContact C-O 3.58Å; M66-Y87 PolarHBondContact N-O 2.65Å; S67-Y87 PolarHBondContact N-O 2.86Å; S67-Y87 VanDerWaalsContact N-O 3.17Å; S67-Y87 PolarHBondContact OG-O 3.12Å; E85-Y87 HydrophobicContact CB-CE2 3.79Å; E85-Y87 WeakPolarHBondContact OE2-CE2 3.36Å; E85-Y87 PolarHBondContact OE2-OH 3.47Å; Y87-W112 HydrophobicContact CD1-CB 3.82Å; Y87-W112 AromaticContact CD1-CE3 3.83Å; Y87-W112 HydrophobicContact CD1-CE3 3.83Å; Y87-W112 HydrophobicContact CE1-CE3 4.49Å |
| 88 | I | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -132.7 | 25.9 | -174.7 | 49.2 | 174.3 | 0 | 0 | 0 | 112.1 | M66 L71 L74 F77 L86 N91 I93 L111 W112 L113 N116 | M66-I88 HydrophobicContact CB-CG2 4.29Å; L71-I88 HydrophobicContact CD1-CG2 4.08Å; L74-I88 HydrophobicContact CD1-CD1 4.46Å; L74-I88 HydrophobicContact CD2-CD1 3.59Å; F77-I88 HydrophobicContact CZ-CG2 4.04Å; L86-I88 HydrophobicContact CD1-CG2 3.6Å; L86-I88 HydrophobicContact CD2-CD1 4.2Å; L86-I88 HydrophobicContact CG-CD1 4.19Å; L86-I88 HydrophobicContact CG-CG1 4.26Å; L86-I88 HydrophobicContact CG-CG2 4.18Å; I88-N91 PolarHBondContact O-ND2 3.2Å; I88-I93 HydrophobicContact CD1-CD1 3.91Å; I88-L111 HydrophobicContact CD1-CD1 4.08Å; I88-L111 HydrophobicContact CG1-CD1 4.33Å; I88-W112 CarbonylContact C-O 3.58Å; I88-W112 VanDerWaalsContact C-O 3.23Å; I88-W112 WeakPolarHBondContact CA-O 3.38Å; I88-W112 WeakPolarHBondContact CG1-O 3.46Å; I88-W112 PolarHBondContact N-O 2.76Å; I88-L113 HydrophobicContact CD1-CD2 3.46Å; I88-L113 VanDerWaalsContact CD1-CD2 3.46Å; I88-L113 HydrophobicContact CD1-CG 4.04Å; I88-L113 HydrophobicContact CG1-CD2 4.04Å; I88-L113 HydrophobicContact CG1-CG 4.37Å; I88-N116 PolarHBondContact O-ND2 2.85Å | ||
| 89 | R | 96.3 | Very high | 95.2 | Very high | 88 Ų | 88 | 35.4 Ų | 35.4 | 33% | 0.332 | 18% | 0.183 | S | C | . | . | trans | -53.1 | 139.5 | 177.2 | -175.2 | -175.7 | 73 | 81.8 | -15.9 | 111.6 | S67 S68 W112 S114 | S67-R89 CarbonylContact C-O 3.52Å; S67-R89 WeakPolarHBondContact CA-O 3.2Å; S67-R89 WeakPolarHBondContact CB-O 3.36Å; S67-R89 PolarHBondContact OG-N 3.46Å; S68-R89 PolarHBondContact N-O 2.74Å; R89-W112 HydrophobicContact CB-CD2 4.15Å; R89-W112 HydrophobicContact CB-CG 4.2Å; R89-W112 VanDerWaalsContact CD-CZ2 3.43Å; R89-W112 PolarHBondContact N-O 2.93Å; R89-S114 CarbonylContact C-O 3.56Å; R89-S114 VanDerWaalsContact CA-O 3.32Å; R89-S114 WeakPolarHBondContact CA-O 3.2Å; R89-S114 WeakPolarHBondContact CG-O 3.36Å | ||
| 90 | S | 96.2 | Very high | 95.4 | Very high | 42 Ų | 42 | 34.5 Ų | 34.5 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 54.6 | 58.3 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 113.1 | S68 S114 G115 | S68-S90 WeakPolarHBondContact CA-O 3.45Å; S68-S90 PolarHBondContact N-O 3.19Å; S90-S114 PolarHBondContact N-O 3.48Å; S90-G115 WeakPolarHBondContact CA-O 3.36Å |
| 91 | N | 97.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | trans | -110 | -161.7 | 167.3 | -87.1 | -78.5 | 0 | 0 | 0 | 109.9 | M66 N69 C70 L71 I88 N116 | M66-N91 PolarHBondContact O-ND2 3.37Å; N69-N91 VanDerWaalsContact CA-OD1 3.26Å; N69-N91 WeakPolarHBondContact CA-OD1 3.4Å; N69-N91 WeakPolarHBondContact CB-OD1 3.34Å; N69-N91 PolarHBondContact N-OD1 2.9Å; N69-N91 PolarHBondContact O-OD1 3.48Å; C70-N91 PolarHBondContact N-OD1 2.63Å; L71-N91 HydrophobicContact CB-CB 4.12Å; L71-N91 WeakPolarHBondContact CB-OD1 3.3Å; L71-N91 VanDerWaalsContact CG-OD1 3.29Å; L71-N91 WeakPolarHBondContact CG-OD1 3.38Å; L71-N91 PolarHBondContact N-OD1 3.23Å; I88-N91 PolarHBondContact O-ND2 3.2Å; N91-N116 WeakPolarHBondContact CA-OD1 3.49Å; N91-N116 WeakPolarHBondContact CB-OD1 3.33Å; N91-N116 PolarHBondContact N-ND2 2.84Å; N91-N116 PolarHBondContact N-OD1 3.08Å; N91-N116 PolarHBondContact O-OD1 2.98Å | ||
| 92 | Q | 96.3 | Very high | 95.7 | Very high | 78 Ų | 78 | 31.5 Ų | 31.5 | 36% | 0.364 | 16% | 0.162 | S | C | . | . | trans | -117.9 | 30.3 | -176.1 | -64.8 | -179.7 | 0.3 | 0 | 0 | 112.2 | C70 L71 Q72 V94 N116 | C70-Q92 HydrophobicContact CB-CG 4.47Å; L71-Q92 CarbonylContact O-C 3.33Å; L71-Q92 VanDerWaalsContact O-CA 3.27Å; L71-Q92 WeakPolarHBondContact O-CA 3.3Å; L71-Q92 PolarHBondContact O-N 2.9Å; Q72-Q92 HydrophobicContact CG-CB 3.79Å; Q72-Q92 VanDerWaalsContact NE2-OE1 3.09Å; Q92-V94 PolarHBondContact O-N 3.07Å; Q92-V94 VanDerWaalsContact O-N 3.13Å; Q92-N116 PolarHBondContact N-OD1 3.31Å | ||
| 93 | I | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -73 | 106.6 | 178.5 | -57 | 162.3 | 0 | 0 | 0 | 108 | L71 L74 I88 E98 L113 N116 P117 C118 | L71-I93 PolarHBondContact O-N 3.05Å; L74-I93 HydrophobicContact CD1-CD1 4.14Å; L74-I93 HydrophobicContact CD2-CD1 3.63Å; L74-I93 HydrophobicContact CG-CD1 3.92Å; I88-I93 HydrophobicContact CD1-CD1 3.91Å; I93-E98 HydrophobicContact CG2-CB 3.98Å; I93-E98 HydrophobicContact CG2-CG 4.22Å; I93-L113 HydrophobicContact CD1-CD2 3.84Å; I93-N116 HydrophobicContact CB-CB 4.14Å; I93-N116 WeakPolarHBondContact CB-OD1 3.48Å; I93-N116 WeakPolarHBondContact CG1-OD1 3.18Å; I93-N116 PolarHBondContact N-OD1 3.03Å; I93-P117 VanDerWaalsContact O-CD 3.28Å; I93-P117 WeakPolarHBondContact O-CD 3.16Å; I93-C118 HydrophobicContact CG2-CB 4.28Å; I93-C118 WeakPolarHBondContact O-CB 3.36Å; I93-C118 PolarHBondContact O-N 3.06Å | ||
| 94 | V | 94.5 | Very high | 95.3 | Very high | 96 Ų | 96 | 34.8 Ų | 34.8 | 58% | 0.582 | 17% | 0.172 | S | C | * | . | trans | -89.3 | -48 | -175.3 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | Q92 P117 | Q92-V94 PolarHBondContact O-N 3.07Å; Q92-V94 VanDerWaalsContact O-N 3.13Å; V94-P117 HydrophobicContact CG2-CB 4.39Å; V94-P117 HydrophobicContact CG2-CG 4.34Å | ||
| 95 | N | 93.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 29% | 0.289 | 16% | 0.164 | S | C | . | . | trans | -85 | 138.8 | -177.4 | -165 | 3.8 | 0 | 0 | 0 | 110.9 | D97 Y121 | N95-D97 VanDerWaalsContact C-N 3.3Å; N95-D97 WeakPolarHBondContact ND2-CB 3.29Å; N95-D97 PolarHBondContact ND2-OD2 2.99Å; N95-D97 PolarHBondContact OD1-N 3.18Å; N95-D97 PolarHBondContact OD1-OD2 3.04Å; N95-Y121 WeakPolarHBondContact OD1-CE2 3.45Å | ||
| 96 | I | 94.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -70.9 | -27.9 | 174 | -167.9 | 61.3 | 0 | 0 | 0 | 111.7 | E98 V99 C118 Y121 F122 Y139 T142 V143 L173 | I96-E98 PolarHBondContact O-N 3.02Å; I96-E98 VanDerWaalsContact O-N 3.09Å; I96-V99 HydrophobicContact CD1-CG2 3.97Å; I96-V99 VanDerWaalsContact O-CB 3.3Å; I96-V99 WeakPolarHBondContact O-CB 3.37Å; I96-V99 WeakPolarHBondContact O-CG2 3.35Å; I96-V99 PolarHBondContact O-N 2.95Å; I96-C118 HydrophobicContact CD1-CB 4.4Å; I96-Y121 HydrophobicContact CB-CD1 4.44Å; I96-Y121 HydrophobicContact CB-CD2 4.43Å; I96-Y121 HydrophobicContact CB-CG 4.21Å; I96-Y121 HydrophobicContact CG2-CD1 3.88Å; I96-Y121 HydrophobicContact CG2-CD2 4.3Å; I96-Y121 HydrophobicContact CG2-CE1 3.93Å; I96-Y121 HydrophobicContact CG2-CE2 4.32Å; I96-Y121 HydrophobicContact CG2-CG 4.08Å; I96-F122 HydrophobicContact CG1-CE2 4.27Å; I96-F122 HydrophobicContact CG1-CZ 4.45Å; I96-F122 HydrophobicContact CG2-CZ 4.17Å; I96-Y139 HydrophobicContact CD1-CD2 3.86Å; I96-Y139 HydrophobicContact CD1-CE2 4.17Å; I96-T142 HydrophobicContact CG1-CG2 3.82Å; I96-V143 HydrophobicContact CD1-CG2 4.28Å; I96-L173 HydrophobicContact CG1-CD1 4.29Å; I96-L173 HydrophobicContact CG2-CD2 4.32Å; I96-L173 WeakPolarHBondContact O-CD1 3.47Å |
| 97 | D | 94.3 | Very high | 94.8 | Very high | 72 Ų | 72 | 42.9 Ų | 42.9 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -57.1 | -27.5 | 179.4 | -59.3 | -32 | 0 | 0 | 0 | 113.2 | N95 V99 A100 | N95-D97 VanDerWaalsContact C-N 3.3Å; N95-D97 WeakPolarHBondContact ND2-CB 3.29Å; N95-D97 PolarHBondContact ND2-OD2 2.99Å; N95-D97 PolarHBondContact OD1-N 3.18Å; N95-D97 PolarHBondContact OD1-OD2 3.04Å; D97-V99 PolarHBondContact O-N 3.45Å; D97-V99 VanDerWaalsContact O-N 3.11Å; D97-A100 WeakPolarHBondContact O-CB 3.27Å; D97-A100 PolarHBondContact O-N 3.17Å |
| 98 | E | 95.2 | Very high | 94.8 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -55.8 | -30.1 | 175.9 | -69.8 | -66.5 | 149.7 | 0 | 0 | 112.4 | S73 L74 I93 I96 A100 H101 | S73-E98 WeakPolarHBondContact CA-OE2 3.43Å; S73-E98 VanDerWaalsContact CB-OE2 3.22Å; S73-E98 WeakPolarHBondContact CB-OE2 3.22Å; S73-E98 PolarHBondContact OG-OE2 2.8Å; L74-E98 HydrophobicContact CB-CB 4.23Å; L74-E98 WeakPolarHBondContact CB-O 3.48Å; L74-E98 HydrophobicContact CD1-CB 4.12Å; L74-E98 HydrophobicContact CG-CB 4.15Å; L74-E98 PolarHBondContact N-OE2 2.7Å; I93-E98 HydrophobicContact CG2-CB 3.98Å; I93-E98 HydrophobicContact CG2-CG 4.22Å; I96-E98 PolarHBondContact O-N 3.02Å; I96-E98 VanDerWaalsContact O-N 3.09Å; E98-A100 PolarHBondContact O-N 3.35Å; E98-H101 WeakPolarHBondContact O-CB 3.29Å; E98-H101 PolarHBondContact O-CD2 2.92Å; E98-H101 PolarHBondContact O-N 3.04Å; E98-H101 VanDerWaalsContact O-N 3.09Å; E98-H101 IonicContact OE2-CD2 2.65Å; E98-H101 IonicContact OE2-NE2 3.78Å |
| 99 | V | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -61.1 | -25.9 | 177 | 180 | 0 | 0 | 0 | 0 | 111.6 | L74 I96 D97 H101 L102 L113 V143 I147 L173 | L74-V99 HydrophobicContact CD1-CG2 4.39Å; I96-V99 HydrophobicContact CD1-CG2 3.97Å; I96-V99 VanDerWaalsContact O-CB 3.3Å; I96-V99 WeakPolarHBondContact O-CB 3.37Å; I96-V99 WeakPolarHBondContact O-CG2 3.35Å; I96-V99 PolarHBondContact O-N 2.95Å; D97-V99 PolarHBondContact O-N 3.45Å; D97-V99 VanDerWaalsContact O-N 3.11Å; V99-H101 PolarHBondContact O-N 3.45Å; V99-L102 WeakPolarHBondContact O-CB 3.37Å; V99-L102 PolarHBondContact O-N 3Å; V99-L113 HydrophobicContact CG2-CD1 4.05Å; V99-V143 HydrophobicContact CG1-CG1 4.19Å; V99-V143 HydrophobicContact CG1-CG2 4.28Å; V99-V143 HydrophobicContact CG2-CG2 4.47Å; V99-I147 HydrophobicContact CG1-CD1 3.8Å; V99-I147 HydrophobicContact CG1-CG1 4.26Å; V99-L173 HydrophobicContact CB-CD1 4.08Å |
| 100 | A | 94.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -61.3 | -25.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D97 E98 L102 K103 L173 A175 | D97-A100 WeakPolarHBondContact O-CB 3.27Å; D97-A100 PolarHBondContact O-N 3.17Å; E98-A100 PolarHBondContact O-N 3.35Å; A100-L102 PolarHBondContact O-N 3.39Å; A100-K103 WeakPolarHBondContact O-CB 3.3Å; A100-K103 PolarHBondContact O-N 3.02Å; A100-L173 HydrophobicContact CB-CB 3.73Å; A100-A175 HydrophobicContact CB-CB 3.56Å |
| 101 | H | 94.2 | Very high | 94.9 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -67 | -23.6 | 174.4 | -67.4 | -65.8 | 0 | 0 | 0 | 113.2 | L74 S78 E98 V99 | L74-H101 HydrophobicContact CB-CB 4.38Å; S78-H101 WeakPolarHBondContact CB-O 3.18Å; E98-H101 WeakPolarHBondContact O-CB 3.29Å; E98-H101 PolarHBondContact O-CD2 2.92Å; E98-H101 PolarHBondContact O-N 3.04Å; E98-H101 VanDerWaalsContact O-N 3.09Å; E98-H101 IonicContact OE2-CD2 2.65Å; E98-H101 IonicContact OE2-NE2 3.78Å; V99-H101 PolarHBondContact O-N 3.45Å |
| 102 | L | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -82.5 | -12.7 | 177.8 | -55.8 | -175.8 | 0 | 0 | 0 | 113.1 | L74 F77 L86 V99 A100 Y104 L105 L108 L111 I147 | L74-L102 HydrophobicContact CB-CD2 4.33Å; L74-L102 HydrophobicContact CB-CG 4.5Å; L74-L102 HydrophobicContact CD1-CD1 3.95Å; L74-L102 HydrophobicContact CD1-CG 4.15Å; F77-L102 HydrophobicContact CB-CD2 3.76Å; F77-L102 HydrophobicContact CG-CD2 4.31Å; L86-L102 HydrophobicContact CD2-CD1 3.87Å; L86-L102 HydrophobicContact CD2-CD2 3.73Å; L86-L102 HydrophobicContact CD2-CG 4.49Å; V99-L102 WeakPolarHBondContact O-CB 3.37Å; V99-L102 PolarHBondContact O-N 3Å; A100-L102 PolarHBondContact O-N 3.39Å; L102-Y104 PolarHBondContact O-N 2.91Å; L102-Y104 VanDerWaalsContact O-N 3.13Å; L102-L105 HydrophobicContact CB-CD1 4.45Å; L102-L105 HydrophobicContact CD2-CD1 3.89Å; L102-L105 VanDerWaalsContact O-CB 3.29Å; L102-L105 WeakPolarHBondContact O-CB 3.4Å; L102-L105 WeakPolarHBondContact O-CG 3.46Å; L102-L105 PolarHBondContact O-N 3.39Å; L102-L108 HydrophobicContact CB-CD2 4.32Å; L102-L108 HydrophobicContact CD1-CD2 4.39Å; L102-L111 HydrophobicContact CD1-CD1 3.91Å; L102-L111 HydrophobicContact CD1-CD2 3.9Å; L102-I147 HydrophobicContact CB-CD1 3.68Å; L102-I147 HydrophobicContact CB-CG1 4.34Å; L102-I147 HydrophobicContact CD1-CD1 4Å; L102-I147 HydrophobicContact CG-CD1 4.48Å |
| 103 | K | 92.8 | Very high | 94.9 | Very high | 67 Ų | 67 | 39.9 Ų | 39.9 | 29% | 0.291 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -58 | -26 | -178.9 | -179.2 | 166.5 | -175.7 | 169 | 0 | 114.4 | A100 L105 N146 | A100-K103 WeakPolarHBondContact O-CB 3.3Å; A100-K103 PolarHBondContact O-N 3.02Å; K103-L105 VanDerWaalsContact C-N 3.26Å; K103-L105 PolarHBondContact O-N 3.28Å; K103-N146 WeakPolarHBondContact CG-O 3.41Å |
| 104 | Y | 89.1 | Confident | 94.8 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -80.2 | -6.4 | 179 | -53.7 | -72.2 | 0 | 0 | 0 | 113.3 | L102 N106 A175 P178 | L102-Y104 PolarHBondContact O-N 2.91Å; L102-Y104 VanDerWaalsContact O-N 3.13Å; Y104-N106 PolarHBondContact O-N 2.85Å; Y104-A175 HydrophobicContact CE2-CB 4.39Å; Y104-A175 PolarHBondContact OH-O 3.26Å; Y104-P178 HydrophobicContact CD1-CG 4.2Å; Y104-P178 HydrophobicContact CD2-CG 3.67Å; Y104-P178 HydrophobicContact CE2-CG 4.27Å; Y104-P178 HydrophobicContact CG-CG 3.63Å |
| 105 | L | 93.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -91.1 | 72.3 | -175.8 | -53.4 | -175.2 | 0 | 0 | 0 | 110.6 | F77 C80 L83 L102 K103 M107 L108 S149 | F77-L105 HydrophobicContact CB-CD1 4.38Å; F77-L105 WeakPolarHBondContact O-CD2 3.48Å; C80-L105 WeakPolarHBondContact O-CD2 3.26Å; L83-L105 HydrophobicContact CD2-CD1 4.12Å; L102-L105 HydrophobicContact CB-CD1 4.45Å; L102-L105 HydrophobicContact CD2-CD1 3.89Å; L102-L105 VanDerWaalsContact O-CB 3.29Å; L102-L105 WeakPolarHBondContact O-CB 3.4Å; L102-L105 WeakPolarHBondContact O-CG 3.46Å; L102-L105 PolarHBondContact O-N 3.39Å; K103-L105 VanDerWaalsContact C-N 3.26Å; K103-L105 PolarHBondContact O-N 3.28Å; L105-M107 PolarHBondContact O-N 3.5Å; L105-L108 HydrophobicContact CB-CB 3.89Å; L105-L108 HydrophobicContact CB-CD2 4.46Å; L105-L108 HydrophobicContact CD1-CD2 4.4Å; L105-L108 WeakPolarHBondContact O-CB 3.11Å; L105-L108 PolarHBondContact O-N 3.11Å; L105-S149 PolarHBondContact O-OG 2.87Å | ||
| 106 | N | 92.3 | Very high | 94.9 | Very high | 131 Ų | 131 | 36.9 Ų | 36.9 | 70% | 0.701 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -21.3 | -176.6 | -60.1 | -27.6 | 0 | 0 | 0 | 114.4 | Y104 S149 | Y104-N106 PolarHBondContact O-N 2.85Å; N106-S149 VanDerWaalsContact O-CB 3.29Å; N106-S149 WeakPolarHBondContact O-CB 3.32Å |
| 107 | M | 94.8 | Very high | 94.9 | Very high | 93 Ų | 93 | 39.7 Ų | 39.7 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -3.3 | 178.4 | -61.3 | -58.9 | -60.6 | 0 | 0 | 113.7 | L83 C84 L105 E109 | L83-M107 CarbonylContact O-C 3.45Å; L83-M107 VanDerWaalsContact O-C 3.28Å; C84-M107 VanDerWaalsContact CA-O 3.29Å; C84-M107 WeakPolarHBondContact CA-O 3.38Å; L105-M107 PolarHBondContact O-N 3.5Å; M107-E109 PolarHBondContact O-N 3.39Å |
| 108 | L | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -76.2 | 108.3 | -173.1 | -175.5 | 64.5 | 0 | 0 | 0 | 110.9 | L83 L86 L102 L105 I147 S149 L150 | L83-L108 HydrophobicContact CG-CD1 4.49Å; L83-L108 VanDerWaalsContact O-CA 3.26Å; L83-L108 WeakPolarHBondContact O-CA 3.29Å; L83-L108 PolarHBondContact O-N 3.25Å; L86-L108 HydrophobicContact CB-CD1 3.83Å; L102-L108 HydrophobicContact CB-CD2 4.32Å; L102-L108 HydrophobicContact CD1-CD2 4.39Å; L105-L108 HydrophobicContact CB-CB 3.89Å; L105-L108 HydrophobicContact CB-CD2 4.46Å; L105-L108 HydrophobicContact CD1-CD2 4.4Å; L105-L108 WeakPolarHBondContact O-CB 3.11Å; L105-L108 PolarHBondContact O-N 3.11Å; L108-I147 HydrophobicContact CD2-CD1 4.42Å; L108-I147 HydrophobicContact CD2-CG2 4.2Å; L108-S149 CarbonylContact O-C 3.37Å; L108-S149 WeakPolarHBondContact O-CB 3.48Å; L108-S149 PolarHBondContact O-OG 3.36Å; L108-L150 HydrophobicContact CG-CD1 4.31Å; L108-L150 WeakPolarHBondContact O-CA 3.15Å; L108-L150 PolarHBondContact O-N 2.95Å | ||
| 109 | E | 97 | Very high | 94.7 | Very high | 75 Ų | 75 | 35 Ų | 35 | 35% | 0.35 | 19% | 0.186 | S | C | . | . | trans | -100.7 | -29.7 | -176.8 | -63.3 | -178.6 | 178.6 | 0 | 0 | 112.9 | C84 M107 M151 H152 | C84-E109 PolarHBondContact O-N 2.92Å; M107-E109 PolarHBondContact O-N 3.39Å; E109-M151 HydrophobicContact CB-CE 3.77Å; E109-M151 HydrophobicContact CG-CE 3.63Å; E109-M151 WeakPolarHBondContact O-CA 3.38Å; E109-M151 PolarHBondContact O-N 3.1Å; E109-M151 VanDerWaalsContact OE2-CE 3.25Å; E109-M151 WeakPolarHBondContact OE2-CE 3.44Å; E109-H152 PolarHBondContact O-N 2.83Å | ||
| 110 | K | 97.5 | Very high | 94.5 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 129.1 | -177 | -53.3 | -175 | -168.9 | 155.6 | 0 | 111.9 | C84 E85 L86 H152 | C84-K110 PolarHBondContact O-N 2.83Å; C84-K110 VanDerWaalsContact O-N 3.09Å; E85-K110 WeakPolarHBondContact CA-O 3.44Å; E85-K110 HydrophobicContact CB-CB 4.38Å; E85-K110 HydrophobicContact CG-CB 4.16Å; E85-K110 HydrophobicContact CG-CD 4.03Å; E85-K110 HydrophobicContact CG-CG 4.25Å; E85-K110 WeakPolarHBondContact OE1-CD 3.21Å; E85-K110 WeakPolarHBondContact OE1-CE 3.34Å; E85-K110 IonicContact OE1-NZ 3.81Å; E85-K110 PolarHBondContact OE1-NZ 3.35Å; L86-K110 PolarHBondContact N-O 2.89Å; K110-H152 HydrophobicContact CB-CB 4.36Å; K110-H152 HydrophobicContact CG-CB 4.09Å |
| 111 | L | 97.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 129.7 | 179.7 | -178.8 | 59 | 0 | 0 | 0 | 109.7 | L86 I88 L102 L113 V143 I147 L150 H152 L153 D154 | L86-L111 HydrophobicContact CB-CD1 3.98Å; L86-L111 HydrophobicContact CD2-CD1 3.83Å; L86-L111 HydrophobicContact CG-CD1 3.82Å; L86-L111 WeakPolarHBondContact O-CA 3.5Å; I88-L111 HydrophobicContact CD1-CD1 4.08Å; I88-L111 HydrophobicContact CG1-CD1 4.33Å; L102-L111 HydrophobicContact CD1-CD1 3.91Å; L102-L111 HydrophobicContact CD1-CD2 3.9Å; L111-L113 HydrophobicContact CD1-CD1 4.49Å; L111-L113 HydrophobicContact CD1-CG 4.17Å; L111-L113 HydrophobicContact CD2-CD1 3.69Å; L111-L113 HydrophobicContact CD2-CG 4.23Å; L111-L113 HydrophobicContact CG-CD1 4.05Å; L111-L113 HydrophobicContact CG-CG 4.05Å; L111-V143 HydrophobicContact CD2-CG1 4.01Å; L111-I147 HydrophobicContact CD2-CD1 3.63Å; L111-L150 HydrophobicContact CB-CD1 3.53Å; L111-L150 HydrophobicContact CB-CD2 4.01Å; L111-L150 HydrophobicContact CB-CG 4.42Å; L111-L150 HydrophobicContact CD2-CD2 4.33Å; L111-H152 PolarHBondContact N-O 3.25Å; L111-L153 HydrophobicContact CD2-CD1 4.48Å; L111-L153 HydrophobicContact CG-CD1 4.46Å; L111-L153 WeakPolarHBondContact O-CA 3.44Å; L111-D154 PolarHBondContact O-N 3.33Å |
| 112 | W | 96.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 21% | 0.205 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 99.4 | 174.7 | -160.2 | 3 | 0 | 0 | 0 | 109.9 | L86 Y87 I88 R89 S114 Q155 | L86-W112 PolarHBondContact O-N 3.11Å; Y87-W112 HydrophobicContact CD1-CB 3.82Å; Y87-W112 AromaticContact CD1-CE3 3.83Å; Y87-W112 HydrophobicContact CD1-CE3 3.83Å; Y87-W112 HydrophobicContact CE1-CE3 4.49Å; I88-W112 CarbonylContact C-O 3.58Å; I88-W112 VanDerWaalsContact C-O 3.23Å; I88-W112 WeakPolarHBondContact CA-O 3.38Å; I88-W112 WeakPolarHBondContact CG1-O 3.46Å; I88-W112 PolarHBondContact N-O 2.76Å; R89-W112 HydrophobicContact CB-CD2 4.15Å; R89-W112 HydrophobicContact CB-CG 4.2Å; R89-W112 VanDerWaalsContact CD-CZ2 3.43Å; R89-W112 PolarHBondContact N-O 2.93Å; W112-S114 PolarHBondContact NE1-OG 3.27Å; W112-Q155 HydrophobicContact CD2-CG 4.01Å; W112-Q155 HydrophobicContact CE3-CG 4.44Å; W112-Q155 VanDerWaalsContact CH2-CD 3.5Å; W112-Q155 HydrophobicContact CH2-CG 4.03Å; W112-Q155 HydrophobicContact CZ2-CG 3.51Å; W112-Q155 HydrophobicContact CZ3-CG 4.45Å |
| 113 | L | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -101.8 | -14.5 | -179 | -89.8 | 167.8 | 0 | 0 | 0 | 113.1 | I88 I93 V99 L111 N116 C119 Y139 V143 D154 | I88-L113 HydrophobicContact CD1-CD2 3.46Å; I88-L113 VanDerWaalsContact CD1-CD2 3.46Å; I88-L113 HydrophobicContact CD1-CG 4.04Å; I88-L113 HydrophobicContact CG1-CD2 4.04Å; I88-L113 HydrophobicContact CG1-CG 4.37Å; I93-L113 HydrophobicContact CD1-CD2 3.84Å; V99-L113 HydrophobicContact CG2-CD1 4.05Å; L111-L113 HydrophobicContact CD1-CD1 4.49Å; L111-L113 HydrophobicContact CD1-CG 4.17Å; L111-L113 HydrophobicContact CD2-CD1 3.69Å; L111-L113 HydrophobicContact CD2-CG 4.23Å; L111-L113 HydrophobicContact CG-CD1 4.05Å; L111-L113 HydrophobicContact CG-CG 4.05Å; L113-N116 WeakPolarHBondContact O-CB 3.5Å; L113-N116 PolarHBondContact O-N 2.84Å; L113-N116 PolarHBondContact O-ND2 2.95Å; L113-C119 PolarHBondContact O-SG 2.83Å; L113-Y139 WeakPolarHBondContact CB-OH 3.4Å; L113-V143 HydrophobicContact CD1-CG2 4.34Å; L113-D154 WeakPolarHBondContact CA-OD1 3.04Å; L113-D154 PolarHBondContact N-OD1 3.32Å | ||
| 114 | S | 94.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 145.4 | -170.6 | 82.3 | 0 | 0 | 0 | 0 | 114.5 | R89 S90 W112 N116 D154 | R89-S114 CarbonylContact C-O 3.56Å; R89-S114 VanDerWaalsContact CA-O 3.32Å; R89-S114 WeakPolarHBondContact CA-O 3.2Å; R89-S114 WeakPolarHBondContact CG-O 3.36Å; S90-S114 PolarHBondContact N-O 3.48Å; W112-S114 PolarHBondContact NE1-OG 3.27Å; S114-N116 PolarHBondContact O-N 3.01Å; S114-D154 PolarHBondContact N-OD1 3.02Å |
| 115 | G | 93.3 | Very high | 91.1 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 51% | 0.505 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 12.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S90 | S90-G115 WeakPolarHBondContact CA-O 3.36Š|
| 116 | N | 96.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -86.9 | 148 | 158.9 | -79.2 | -88.1 | 0 | 0 | 0 | 109.9 | I88 N91 Q92 I93 L113 S114 C118 C119 | I88-N116 PolarHBondContact O-ND2 2.85Å; N91-N116 WeakPolarHBondContact CA-OD1 3.49Å; N91-N116 WeakPolarHBondContact CB-OD1 3.33Å; N91-N116 PolarHBondContact N-ND2 2.84Å; N91-N116 PolarHBondContact N-OD1 3.08Å; N91-N116 PolarHBondContact O-OD1 2.98Å; Q92-N116 PolarHBondContact N-OD1 3.31Å; I93-N116 HydrophobicContact CB-CB 4.14Å; I93-N116 WeakPolarHBondContact CB-OD1 3.48Å; I93-N116 WeakPolarHBondContact CG1-OD1 3.18Å; I93-N116 PolarHBondContact N-OD1 3.03Å; L113-N116 WeakPolarHBondContact O-CB 3.5Å; L113-N116 PolarHBondContact O-N 2.84Å; L113-N116 PolarHBondContact O-ND2 2.95Å; S114-N116 PolarHBondContact O-N 3.01Å; N116-C118 VanDerWaalsContact CB-SG 3.59Å; N116-C118 PolarHBondContact O-N 3.21Å; N116-C118 VanDerWaalsContact O-N 3.16Å; N116-C119 WeakPolarHBondContact O-CB 3.35Å; N116-C119 PolarHBondContact O-N 3.05Å; N116-C119 VanDerWaalsContact O-N 3.09Å; N116-C119 PolarHBondContact O-SG 3.39Å |
| 117 | P | 94.6 | Very high | 87.9 | Confident | 63 Ų | 63 | 61 Ų | 61 | 41% | 0.409 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -58.6 | -26.7 | 178 | -23.3 | 31.4 | 0 | 0 | 0 | 114.6 | I93 V94 C119 H120 | I93-P117 VanDerWaalsContact O-CD 3.28Å; I93-P117 WeakPolarHBondContact O-CD 3.16Å; V94-P117 HydrophobicContact CG2-CB 4.39Å; V94-P117 HydrophobicContact CG2-CG 4.34Å; P117-C119 PolarHBondContact O-N 3.42Å; P117-H120 PolarHBondContact O-N 2.99Å |
| 118 | C | 93.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -58.9 | -26.6 | 174.9 | 64.6 | 0 | 0 | 0 | 0 | 113.8 | I93 I96 N116 H120 Y121 | I93-C118 HydrophobicContact CG2-CB 4.28Å; I93-C118 WeakPolarHBondContact O-CB 3.36Å; I93-C118 PolarHBondContact O-N 3.06Å; I96-C118 HydrophobicContact CD1-CB 4.4Å; N116-C118 VanDerWaalsContact CB-SG 3.59Å; N116-C118 PolarHBondContact O-N 3.21Å; N116-C118 VanDerWaalsContact O-N 3.16Å; C118-H120 PolarHBondContact O-N 3.14Å; C118-H120 VanDerWaalsContact O-N 3.17Å; C118-Y121 VanDerWaalsContact O-CB 3.25Å; C118-Y121 WeakPolarHBondContact O-CB 3.42Å; C118-Y121 PolarHBondContact O-N 3.45Å |
| 119 | C | 92.3 | Very high | 84.1 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 8% | 0.081 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -64.4 | -16.7 | 174.6 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | L113 N116 P117 Y139 | L113-C119 PolarHBondContact O-SG 2.83Å; N116-C119 WeakPolarHBondContact O-CB 3.35Å; N116-C119 PolarHBondContact O-N 3.05Å; N116-C119 VanDerWaalsContact O-N 3.09Å; N116-C119 PolarHBondContact O-SG 3.39Å; P117-C119 PolarHBondContact O-N 3.42Å; C119-Y139 HydrophobicContact CB-CE1 4.4Å; C119-Y139 HydrophobicContact CB-CE2 4.3Å; C119-Y139 PolarHBondContact SG-OH 3.21Å |
| 120 | H | 90.4 | Very high | 82.3 | Confident | 118 Ų | 118 | 75 Ų | 75 | 55% | 0.546 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -116.2 | 13 | 178.5 | -55.5 | -44.2 | 0 | 0 | 0 | 112.6 | P117 C118 F122 K123 | P117-H120 PolarHBondContact O-N 2.99Å; C118-H120 PolarHBondContact O-N 3.14Å; C118-H120 VanDerWaalsContact O-N 3.17Å; H120-F122 VanDerWaalsContact C-N 3.27Å; H120-F122 PolarHBondContact O-N 3.05Å; H120-K123 VanDerWaalsContact O-CB 3.28Å; H120-K123 WeakPolarHBondContact O-CB 3.49Å; H120-K123 PolarHBondContact O-N 3.27Å; H120-K123 VanDerWaalsContact O-N 3.15Å |
| 121 | Y | 87.2 | Confident | 80.4 | Confident | 70 Ų | 70 | 75.8 Ų | 75.8 | 28% | 0.275 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -55 | -42.4 | -177.8 | -173 | -86.8 | 0 | 0 | 0 | 112.1 | N95 I96 C118 K123 Y125 | N95-Y121 WeakPolarHBondContact OD1-CE2 3.45Å; I96-Y121 HydrophobicContact CB-CD1 4.44Å; I96-Y121 HydrophobicContact CB-CD2 4.43Å; I96-Y121 HydrophobicContact CB-CG 4.21Å; I96-Y121 HydrophobicContact CG2-CD1 3.88Å; I96-Y121 HydrophobicContact CG2-CD2 4.3Å; I96-Y121 HydrophobicContact CG2-CE1 3.93Å; I96-Y121 HydrophobicContact CG2-CE2 4.32Å; I96-Y121 HydrophobicContact CG2-CG 4.08Å; C118-Y121 VanDerWaalsContact O-CB 3.25Å; C118-Y121 WeakPolarHBondContact O-CB 3.42Å; C118-Y121 PolarHBondContact O-N 3.45Å; Y121-K123 VanDerWaalsContact C-N 3.33Å; Y121-K123 PolarHBondContact O-N 3.32Å; Y121-Y125 HydrophobicContact CD1-CE2 4.1Å; Y121-Y125 AromaticContact CE1-CE2 3.82Å; Y121-Y125 HydrophobicContact CE1-CE2 3.82Å |
| 122 | F | 85.3 | Confident | 78.5 | Confident | 9 Ų | 9 | 84.2 Ų | 84.2 | 4% | 0.039 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -79.1 | -8.6 | -176.7 | -61.3 | -66 | 0 | 0 | 0 | 115 | I96 H120 N124 Y125 S135 V138 T142 I171 | I96-F122 HydrophobicContact CG1-CE2 4.27Å; I96-F122 HydrophobicContact CG1-CZ 4.45Å; I96-F122 HydrophobicContact CG2-CZ 4.17Å; H120-F122 VanDerWaalsContact C-N 3.27Å; H120-F122 PolarHBondContact O-N 3.05Å; F122-N124 PolarHBondContact O-N 3.24Å; F122-N124 VanDerWaalsContact O-N 3.08Å; F122-Y125 HydrophobicContact CD1-CD2 4.07Å; F122-Y125 HydrophobicContact CD1-CE2 4.25Å; F122-Y125 WeakPolarHBondContact O-CB 3.16Å; F122-Y125 PolarHBondContact O-N 3.43Å; F122-S135 VanDerWaalsContact C-OG 3.23Å; F122-S135 WeakPolarHBondContact CB-OG 3.47Å; F122-V138 HydrophobicContact CB-CB 4.15Å; F122-V138 HydrophobicContact CB-CG1 4.22Å; F122-V138 HydrophobicContact CD1-CG1 3.8Å; F122-V138 HydrophobicContact CD2-CB 3.9Å; F122-V138 HydrophobicContact CD2-CG1 3.6Å; F122-V138 HydrophobicContact CE1-CG1 4.06Å; F122-V138 HydrophobicContact CE2-CG1 3.86Å; F122-V138 HydrophobicContact CG-CB 3.96Å; F122-V138 HydrophobicContact CG-CG1 3.57Å; F122-V138 HydrophobicContact CZ-CG1 4.08Å; F122-T142 HydrophobicContact CE2-CG2 4.46Å; F122-T142 HydrophobicContact CZ-CG2 4.38Å; F122-I171 HydrophobicContact CD1-CD1 4.49Å; F122-I171 HydrophobicContact CE1-CD1 3.48Å; F122-I171 VanDerWaalsContact CE1-CD1 3.48Å; F122-I171 HydrophobicContact CZ-CD1 3.76Å |
| 123 | K | 83.6 | Confident | 77 | Confident | 126 Ų | 126 | 83 Ų | 83 | 55% | 0.548 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -62.3 | -23.2 | -177 | -170.8 | 170.2 | -175.5 | 168.5 | 0 | 113.8 | H120 Y121 S135 | H120-K123 VanDerWaalsContact O-CB 3.28Å; H120-K123 WeakPolarHBondContact O-CB 3.49Å; H120-K123 PolarHBondContact O-N 3.27Å; H120-K123 VanDerWaalsContact O-N 3.15Å; Y121-K123 VanDerWaalsContact C-N 3.33Å; Y121-K123 PolarHBondContact O-N 3.32Å; K123-S135 PolarHBondContact N-OG 3.31Å |
| 124 | N | 71.8 | Confident | 76.4 | Confident | 112 Ų | 112 | 87.5 Ų | 87.5 | 60% | 0.599 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -81.8 | -19.9 | 174.8 | -66.8 | -40.6 | 0 | 0 | 0 | 113.2 | F122 | F122-N124 PolarHBondContact O-N 3.24Å; F122-N124 VanDerWaalsContact O-N 3.08Å |
| 125 | Y | 68.5 | Low | 75.9 | Confident | 116 Ų | 116 | 86 Ų | 86 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -27.5 | -179.3 | -66.9 | -104.5 | 0 | 0 | 0 | 112.2 | Y121 F122 R127 N128 | Y121-Y125 HydrophobicContact CD1-CE2 4.1Å; Y121-Y125 AromaticContact CE1-CE2 3.82Å; Y121-Y125 HydrophobicContact CE1-CE2 3.82Å; F122-Y125 HydrophobicContact CD1-CD2 4.07Å; F122-Y125 HydrophobicContact CD1-CE2 4.25Å; F122-Y125 WeakPolarHBondContact O-CB 3.16Å; F122-Y125 PolarHBondContact O-N 3.43Å; Y125-R127 PolarHBondContact O-N 3.21Å; Y125-N128 PolarHBondContact O-N 3.13Å; Y125-N128 VanDerWaalsContact O-N 3.12Å |
| 126 | E | 59.6 | Low | 75.6 | Confident | 82 Ų | 82 | 86.5 Ų | 86.5 | 38% | 0.383 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -26 | 174.7 | -62.2 | 178.5 | 153.5 | 0 | 0 | 113.4 | N128 S135 | E126-N128 PolarHBondContact O-N 2.74Å; E126-S135 WeakPolarHBondContact OE1-CB 3.44Å; E126-S135 PolarHBondContact OE1-N 2.88Å |
| 127 | R | 59.1 | Low | 75.3 | Confident | 201 Ų | 201 | 89.2 Ų | 89.2 | 76% | 0.758 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.3 | -178.8 | -66.1 | -176 | 176.8 | -179.3 | -1.3 | 114.4 | Y125 E129 | Y125-R127 PolarHBondContact O-N 3.21Å; R127-E129 PolarHBondContact O-N 3.23Å |
| 128 | N | 58.1 | Low | 75.1 | Confident | 121 Ų | 121 | 87 Ų | 87 | 65% | 0.647 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -100.4 | 47.8 | -176.8 | -65.3 | -27 | 0 | 0 | 0 | 112.6 | Y125 E126 N130 | Y125-N128 PolarHBondContact O-N 3.13Å; Y125-N128 VanDerWaalsContact O-N 3.12Å; E126-N128 PolarHBondContact O-N 2.74Å; N128-N130 PolarHBondContact O-N 3.09Å |
| 129 | E | 53 | Low | 75.2 | Confident | 186 Ų | 186 | 87.3 Ų | 87.3 | 87% | 0.869 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 41.8 | 1.9 | 160.6 | -65.2 | -166.4 | 149.2 | 0 | 0 | 122 | R127 | R127-E129 PolarHBondContact O-N 3.23Š|
| 130 | N | 58.5 | Low | 75.3 | Confident | 155 Ų | 155 | 87.7 Ų | 87.7 | 83% | 0.829 | 43% | 0.432 | S | S | * | . | trans | -132.8 | 12.1 | -176.8 | -73 | -66.1 | 0 | 0 | 0 | 114.6 | N128 | N128-N130 PolarHBondContact O-N 3.09Š| ||
| 131 | V | 57.9 | Low | 75.5 | Confident | 76 Ų | 76 | 82.3 Ų | 82.3 | 46% | 0.461 | 41% | 0.407 | S | S | . | . | trans | -100.3 | 115.1 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | C133 | V131-C133 VanDerWaalsContact C-N 3.33Š| ||
| 132 | L | 57.8 | Low | 75.8 | Confident | 180 Ų | 180 | 79 Ų | 79 | 94% | 0.942 | 39% | 0.394 | S | S | * | . | trans | -80.5 | -9.7 | -175.1 | -74.1 | 164 | 0 | 0 | 0 | 114.2 | ||||
| 133 | C | 66.5 | Low | 76.4 | Confident | 29 Ų | 29 | 78.6 Ų | 78.6 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -115.1 | 140.1 | -172.4 | 45 | 0 | 0 | 0 | 0 | 112.6 | V131 V137 V138 | V131-C133 VanDerWaalsContact C-N 3.33Å; C133-V137 HydrophobicContact CB-CG1 4.49Å; C133-V138 HydrophobicContact CB-CG2 4.24Å; C133-V138 WeakPolarHBondContact SG-CG2 3.46Å |
| 134 | D | 82.6 | Confident | 77 | Confident | 94 Ų | 94 | 72.7 Ų | 72.7 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | trans | -55.9 | 136.8 | 172.5 | 176.7 | -18.8 | 0 | 0 | 0 | 110.5 | S136 V137 V138 | D134-S136 PolarHBondContact O-N 3.33Å; D134-S136 VanDerWaalsContact OD1-CB 3.26Å; D134-S136 WeakPolarHBondContact OD1-CB 3.28Å; D134-S136 PolarHBondContact OD1-N 3.27Å; D134-V137 HydrophobicContact CB-CG2 4.12Å; D134-V137 WeakPolarHBondContact O-CA 3.29Å; D134-V137 WeakPolarHBondContact O-CB 3.38Å; D134-V137 PolarHBondContact O-N 3.3Å; D134-V138 PolarHBondContact O-N 3.48Å | ||
| 135 | S | 83.9 | Confident | 78.1 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -47.5 | -33.1 | 173.4 | 169.9 | 0 | 0 | 0 | 0 | 113.5 | F122 K123 E126 Y139 | F122-S135 VanDerWaalsContact C-OG 3.23Å; F122-S135 WeakPolarHBondContact CB-OG 3.47Å; K123-S135 PolarHBondContact N-OG 3.31Å; E126-S135 WeakPolarHBondContact OE1-CB 3.44Å; E126-S135 PolarHBondContact OE1-N 2.88Å; S135-Y139 WeakPolarHBondContact O-CB 3.41Å; S135-Y139 PolarHBondContact O-N 3.46Å |
| 136 | S | 87.2 | Confident | 79.3 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 42% | 0.42 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 176 | -169.5 | 0 | 0 | 0 | 0 | 111.6 | D134 Y139 R140 | D134-S136 PolarHBondContact O-N 3.33Å; D134-S136 VanDerWaalsContact OD1-CB 3.26Å; D134-S136 WeakPolarHBondContact OD1-CB 3.28Å; D134-S136 PolarHBondContact OD1-N 3.27Å; S136-Y139 PolarHBondContact O-N 2.76Å; S136-R140 PolarHBondContact O-N 2.85Å |
| 137 | V | 90 | Very high | 81 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.5 | -46 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | C133 D134 Y139 R140 C141 | C133-V137 HydrophobicContact CB-CG1 4.49Å; D134-V137 HydrophobicContact CB-CG2 4.12Å; D134-V137 WeakPolarHBondContact O-CA 3.29Å; D134-V137 WeakPolarHBondContact O-CB 3.38Å; D134-V137 PolarHBondContact O-N 3.3Å; V137-Y139 VanDerWaalsContact C-N 3.28Å; V137-Y139 PolarHBondContact O-N 3.49Å; V137-R140 PolarHBondContact O-N 3.42Å; V137-C141 VanDerWaalsContact O-CB 3.27Å; V137-C141 WeakPolarHBondContact O-CB 3.4Å; V137-C141 PolarHBondContact O-N 3.24Å; V137-C141 PolarHBondContact O-SG 2.99Å; V137-C141 VanDerWaalsContact O-SG 3.35Å |
| 138 | V | 91.2 | Very high | 82.6 | Confident | 16 Ų | 16 | 58.4 Ų | 58.4 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 177.1 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | F122 C133 D134 T142 | F122-V138 HydrophobicContact CB-CB 4.15Å; F122-V138 HydrophobicContact CB-CG1 4.22Å; F122-V138 HydrophobicContact CD1-CG1 3.8Å; F122-V138 HydrophobicContact CD2-CB 3.9Å; F122-V138 HydrophobicContact CD2-CG1 3.6Å; F122-V138 HydrophobicContact CE1-CG1 4.06Å; F122-V138 HydrophobicContact CE2-CG1 3.86Å; F122-V138 HydrophobicContact CG-CB 3.96Å; F122-V138 HydrophobicContact CG-CG1 3.57Å; F122-V138 HydrophobicContact CZ-CG1 4.08Å; C133-V138 HydrophobicContact CB-CG2 4.24Å; C133-V138 WeakPolarHBondContact SG-CG2 3.46Å; D134-V138 PolarHBondContact O-N 3.48Å; V138-T142 WeakPolarHBondContact O-CB 3.42Å; V138-T142 PolarHBondContact O-N 3Å; V138-T142 PolarHBondContact O-OG1 2.8Å |
| 139 | Y | 94.1 | Very high | 84.4 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -53.9 | 173 | 158.5 | -101.1 | 0 | 0 | 0 | 111.9 | I96 L113 C119 S135 S136 V137 C141 T142 V143 D154 | I96-Y139 HydrophobicContact CD1-CD2 3.86Å; I96-Y139 HydrophobicContact CD1-CE2 4.17Å; L113-Y139 WeakPolarHBondContact CB-OH 3.4Å; C119-Y139 HydrophobicContact CB-CE1 4.4Å; C119-Y139 HydrophobicContact CB-CE2 4.3Å; C119-Y139 PolarHBondContact SG-OH 3.21Å; S135-Y139 WeakPolarHBondContact O-CB 3.41Å; S135-Y139 PolarHBondContact O-N 3.46Å; S136-Y139 PolarHBondContact O-N 2.76Å; V137-Y139 VanDerWaalsContact C-N 3.28Å; V137-Y139 PolarHBondContact O-N 3.49Å; Y139-C141 PolarHBondContact O-N 3.41Å; Y139-T142 PolarHBondContact O-N 3.48Å; Y139-V143 HydrophobicContact CD2-CG2 4.08Å; Y139-V143 HydrophobicContact CE2-CG2 3.69Å; Y139-V143 WeakPolarHBondContact O-CG2 3.3Å; Y139-V143 PolarHBondContact O-N 3.01Å; Y139-D154 WeakPolarHBondContact CE1-OD2 3.07Å; Y139-D154 PolarHBondContact OH-OD2 3.38Å |
| 140 | R | 95.1 | Very high | 86.4 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 179.7 | -73.9 | -176.4 | 64.5 | 84.5 | 5.4 | 111.4 | S136 V137 T142 V143 I144 L153 E156 E162 | S136-R140 PolarHBondContact O-N 2.85Å; V137-R140 PolarHBondContact O-N 3.42Å; R140-T142 VanDerWaalsContact C-N 3.33Å; R140-T142 PolarHBondContact O-N 2.93Å; R140-V143 PolarHBondContact O-N 3.41Å; R140-I144 HydrophobicContact CB-CD1 4.43Å; R140-I144 WeakPolarHBondContact O-CB 3.49Å; R140-I144 WeakPolarHBondContact O-CD1 3.26Å; R140-I144 VanDerWaalsContact O-CG1 3.22Å; R140-I144 WeakPolarHBondContact O-CG1 3.37Å; R140-I144 PolarHBondContact O-N 3.41Å; R140-L153 HydrophobicContact CB-CD2 4.2Å; R140-L153 HydrophobicContact CG-CD2 4.05Å; R140-L153 PolarHBondContact NH1-O 3.47Å; R140-L153 VanDerWaalsContact NH1-O 3.12Å; R140-E156 IonicContact CZ-OE2 2.69Å; R140-E156 IonicContact NE-OE2 2.66Å; R140-E156 IonicContact NH1-OE2 3.56Å; R140-E156 PolarHBondContact NH1-OE2 2.79Å; R140-E156 IonicContact NH2-OE2 3.98Å; R140-E162 IonicContact CZ-OE1 3.21Å; R140-E162 IonicContact NE-OE1 2.76Å; R140-E162 PolarHBondContact NE-OE1 2.81Å; R140-E162 IonicContact NH2-OE1 3.71Å; R140-E162 PolarHBondContact NH2-OE1 2.62Å; R140-E162 IonicContact NH2-OE2 2.68Å; R140-E162 PolarHBondContact NH2-OE2 2.8Å |
| 141 | C | 94.4 | Very high | 88.2 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.034 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.8 | -44.9 | 175.4 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | V137 Y139 V143 I144 R145 S166 | V137-C141 VanDerWaalsContact O-CB 3.27Å; V137-C141 WeakPolarHBondContact O-CB 3.4Å; V137-C141 PolarHBondContact O-N 3.24Å; V137-C141 PolarHBondContact O-SG 2.99Å; V137-C141 VanDerWaalsContact O-SG 3.35Å; Y139-C141 PolarHBondContact O-N 3.41Å; C141-V143 PolarHBondContact O-N 3.2Å; C141-I144 PolarHBondContact O-N 3Å; C141-R145 WeakPolarHBondContact O-CB 3.27Å; C141-R145 PolarHBondContact O-N 3.36Å; C141-S166 WeakPolarHBondContact O-CB 3.21Å |
| 142 | T | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 178 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | I96 F122 V138 Y139 R140 N146 I171 L173 | I96-T142 HydrophobicContact CG1-CG2 3.82Å; F122-T142 HydrophobicContact CE2-CG2 4.46Å; F122-T142 HydrophobicContact CZ-CG2 4.38Å; V138-T142 WeakPolarHBondContact O-CB 3.42Å; V138-T142 PolarHBondContact O-N 3Å; V138-T142 PolarHBondContact O-OG1 2.8Å; Y139-T142 PolarHBondContact O-N 3.48Å; R140-T142 VanDerWaalsContact C-N 3.33Å; R140-T142 PolarHBondContact O-N 2.93Å; T142-N146 PolarHBondContact O-N 2.84Å; T142-N146 PolarHBondContact O-ND2 2.81Å; T142-I171 HydrophobicContact CG2-CB 4.11Å; T142-I171 PolarHBondContact OG1-N 2.91Å; T142-L173 HydrophobicContact CG2-CD1 3.88Å; T142-L173 HydrophobicContact CG2-CD2 4.11Å; T142-L173 HydrophobicContact CG2-CG 4.05Å |
| 143 | V | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -49 | 176.6 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | I96 V99 L111 L113 Y139 R140 C141 R145 N146 I147 L150 L153 | I96-V143 HydrophobicContact CD1-CG2 4.28Å; V99-V143 HydrophobicContact CG1-CG1 4.19Å; V99-V143 HydrophobicContact CG1-CG2 4.28Å; V99-V143 HydrophobicContact CG2-CG2 4.47Å; L111-V143 HydrophobicContact CD2-CG1 4.01Å; L113-V143 HydrophobicContact CD1-CG2 4.34Å; Y139-V143 HydrophobicContact CD2-CG2 4.08Å; Y139-V143 HydrophobicContact CE2-CG2 3.69Å; Y139-V143 WeakPolarHBondContact O-CG2 3.3Å; Y139-V143 PolarHBondContact O-N 3.01Å; R140-V143 PolarHBondContact O-N 3.41Å; C141-V143 PolarHBondContact O-N 3.2Å; V143-R145 VanDerWaalsContact C-N 3.34Å; V143-R145 PolarHBondContact O-N 3.23Å; V143-N146 PolarHBondContact O-N 3.46Å; V143-I147 HydrophobicContact CG1-CD1 4.26Å; V143-I147 PolarHBondContact O-N 3.42Å; V143-L150 HydrophobicContact CG1-CD2 4.19Å; V143-L153 HydrophobicContact CB-CD2 3.91Å; V143-L153 HydrophobicContact CG1-CD1 3.86Å; V143-L153 HydrophobicContact CG1-CD2 3.97Å |
| 144 | I | 96 | Very high | 93.3 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | -178.7 | -64.5 | 163.2 | 0 | 0 | 0 | 111.1 | R140 C141 N146 I147 L153 I158 E162 R163 | R140-I144 HydrophobicContact CB-CD1 4.43Å; R140-I144 WeakPolarHBondContact O-CB 3.49Å; R140-I144 WeakPolarHBondContact O-CD1 3.26Å; R140-I144 VanDerWaalsContact O-CG1 3.22Å; R140-I144 WeakPolarHBondContact O-CG1 3.37Å; R140-I144 PolarHBondContact O-N 3.41Å; C141-I144 PolarHBondContact O-N 3Å; I144-N146 PolarHBondContact O-N 3.22Å; I144-I147 CarbonylContact O-C 3.11Å; I144-I147 PolarHBondContact O-N 3.17Å; I144-L153 HydrophobicContact CG1-CD2 4.23Å; I144-I158 HydrophobicContact CD1-CD1 4.49Å; I144-I158 HydrophobicContact CD1-CG1 4.13Å; I144-I158 HydrophobicContact CD1-CG2 3.94Å; I144-I158 HydrophobicContact CG1-CD1 3.97Å; I144-I158 HydrophobicContact CG1-CG1 4.16Å; I144-I158 HydrophobicContact CG1-CG2 4.23Å; I144-I158 HydrophobicContact CG2-CG2 4.13Å; I144-E162 HydrophobicContact CD1-CB 4.17Å; I144-R163 HydrophobicContact CG2-CG 4.04Å |
| 145 | R | 95 | Very high | 93.8 | Very high | 68 Ų | 68 | 33.3 Ų | 33.3 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.4 | -31.6 | 178.8 | -176 | 54.2 | 158.3 | 168.6 | -7.7 | 113.3 | C141 V143 S166 E167 | C141-R145 WeakPolarHBondContact O-CB 3.27Å; C141-R145 PolarHBondContact O-N 3.36Å; V143-R145 VanDerWaalsContact C-N 3.34Å; V143-R145 PolarHBondContact O-N 3.23Å; R145-S166 VanDerWaalsContact CD-O 3.29Å; R145-S166 WeakPolarHBondContact CD-O 3.29Å; R145-E167 IonicContact NH1-OE1 3.82Å; R145-E167 PolarHBondContact NH1-OE1 2.94Å; R145-E167 PolarHBondContact NH2-O 3.15Å; R145-E167 VanDerWaalsContact NH2-O 3.14Å |
| 146 | N | 95.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -96.7 | -25.5 | -177.5 | -71.2 | -78.2 | 0 | 0 | 0 | 114 | K103 T142 V143 I144 I171 L173 | K103-N146 WeakPolarHBondContact CG-O 3.41Å; T142-N146 PolarHBondContact O-N 2.84Å; T142-N146 PolarHBondContact O-ND2 2.81Å; V143-N146 PolarHBondContact O-N 3.46Å; I144-N146 PolarHBondContact O-N 3.22Å; N146-I171 PolarHBondContact ND2-O 3.44Å; N146-L173 WeakPolarHBondContact ND2-CG 3.5Å; N146-L173 PolarHBondContact OD1-N 3.09Å; N146-L173 PolarHBondContact OD1-O 3.01Å |
| 147 | I | 95.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | trans | -117.8 | 76.9 | 178.9 | -47.5 | 176.4 | 0 | 0 | 0 | 109.1 | V99 L102 L108 L111 V143 I144 S149 L150 | V99-I147 HydrophobicContact CG1-CD1 3.8Å; V99-I147 HydrophobicContact CG1-CG1 4.26Å; L102-I147 HydrophobicContact CB-CD1 3.68Å; L102-I147 HydrophobicContact CB-CG1 4.34Å; L102-I147 HydrophobicContact CD1-CD1 4Å; L102-I147 HydrophobicContact CG-CD1 4.48Å; L108-I147 HydrophobicContact CD2-CD1 4.42Å; L108-I147 HydrophobicContact CD2-CG2 4.2Å; L111-I147 HydrophobicContact CD2-CD1 3.63Å; V143-I147 HydrophobicContact CG1-CD1 4.26Å; V143-I147 PolarHBondContact O-N 3.42Å; I144-I147 CarbonylContact O-C 3.11Å; I144-I147 PolarHBondContact O-N 3.17Å; I147-S149 VanDerWaalsContact C-N 3.25Å; I147-S149 PolarHBondContact O-N 2.97Å; I147-L150 HydrophobicContact CB-CB 4.26Å; I147-L150 HydrophobicContact CG2-CB 3.94Å; I147-L150 WeakPolarHBondContact O-CB 3.22Å; I147-L150 PolarHBondContact O-N 3.29Å; I147-L150 VanDerWaalsContact O-N 3.09Å | ||
| 148 | Q | 92.6 | Very high | 95 | Very high | 136 Ų | 136 | 37.7 Ų | 37.7 | 64% | 0.636 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -27.2 | -172.8 | -64.4 | 179.6 | -9.5 | 0 | 0 | 113.6 | L150 R163 | Q148-L150 PolarHBondContact O-N 3.04Å; Q148-R163 PolarHBondContact O-NH1 3.1Å |
| 149 | S | 94.2 | Very high | 95.3 | Very high | 45 Ų | 45 | 40 Ų | 40 | 32% | 0.315 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.9 | 175.6 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | L105 N106 L108 I147 M151 | L105-S149 PolarHBondContact O-OG 2.87Å; N106-S149 VanDerWaalsContact O-CB 3.29Å; N106-S149 WeakPolarHBondContact O-CB 3.32Å; L108-S149 CarbonylContact O-C 3.37Å; L108-S149 WeakPolarHBondContact O-CB 3.48Å; L108-S149 PolarHBondContact O-OG 3.36Å; I147-S149 VanDerWaalsContact C-N 3.25Å; I147-S149 PolarHBondContact O-N 2.97Å; S149-M151 PolarHBondContact O-N 3.09Å |
| 150 | L | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -67.6 | 130.9 | -170.4 | -163.5 | 66.8 | 0 | 0 | 0 | 111.1 | L108 L111 V143 I147 Q148 H152 L153 I158 R163 | L108-L150 HydrophobicContact CG-CD1 4.31Å; L108-L150 WeakPolarHBondContact O-CA 3.15Å; L108-L150 PolarHBondContact O-N 2.95Å; L111-L150 HydrophobicContact CB-CD1 3.53Å; L111-L150 HydrophobicContact CB-CD2 4.01Å; L111-L150 HydrophobicContact CB-CG 4.42Å; L111-L150 HydrophobicContact CD2-CD2 4.33Å; V143-L150 HydrophobicContact CG1-CD2 4.19Å; I147-L150 HydrophobicContact CB-CB 4.26Å; I147-L150 HydrophobicContact CG2-CB 3.94Å; I147-L150 WeakPolarHBondContact O-CB 3.22Å; I147-L150 PolarHBondContact O-N 3.29Å; I147-L150 VanDerWaalsContact O-N 3.09Å; Q148-L150 PolarHBondContact O-N 3.04Å; L150-H152 WeakPolarHBondContact CD1-O 3.42Å; L150-H152 WeakPolarHBondContact CG-O 3.1Å; L150-L153 HydrophobicContact CD2-CB 4Å; L150-L153 HydrophobicContact CD2-CD1 4.23Å; L150-I158 HydrophobicContact CB-CD1 3.83Å; L150-I158 HydrophobicContact CD2-CD1 3.76Å; L150-I158 HydrophobicContact CG-CD1 3.63Å; L150-I158 WeakPolarHBondContact O-CD1 3.47Å; L150-R163 PolarHBondContact O-NH1 3.13Å; L150-R163 PolarHBondContact O-NH2 2.97Å | ||
| 151 | M | 95.8 | Very high | 95.2 | Very high | 81 Ų | 81 | 52 Ų | 52 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -104.2 | -29.5 | 174 | -69.1 | -164.2 | -76.6 | 0 | 0 | 112.9 | E109 S149 I158 | E109-M151 HydrophobicContact CB-CE 3.77Å; E109-M151 HydrophobicContact CG-CE 3.63Å; E109-M151 WeakPolarHBondContact O-CA 3.38Å; E109-M151 PolarHBondContact O-N 3.1Å; E109-M151 VanDerWaalsContact OE2-CE 3.25Å; E109-M151 WeakPolarHBondContact OE2-CE 3.44Å; S149-M151 PolarHBondContact O-N 3.09Å; M151-I158 PolarHBondContact O-N 2.71Å |
| 152 | H | 97.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.9 | 178.8 | -57 | 68.9 | 0 | 0 | 0 | 111 | E109 K110 L111 L150 E156 | E109-H152 PolarHBondContact O-N 2.83Å; K110-H152 HydrophobicContact CB-CB 4.36Å; K110-H152 HydrophobicContact CG-CB 4.09Å; L111-H152 PolarHBondContact N-O 3.25Å; L150-H152 WeakPolarHBondContact CD1-O 3.42Å; L150-H152 WeakPolarHBondContact CG-O 3.1Å; H152-E156 CarbonylContact C-O 3.55Å; H152-E156 VanDerWaalsContact CA-O 3.25Å; H152-E156 WeakPolarHBondContact CA-O 3.18Å |
| 153 | L | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.7 | 172.7 | 177.9 | 59.2 | 0 | 0 | 0 | 109.3 | L111 R140 V143 I144 L150 Q155 E156 I158 | L111-L153 HydrophobicContact CD2-CD1 4.48Å; L111-L153 HydrophobicContact CG-CD1 4.46Å; L111-L153 WeakPolarHBondContact O-CA 3.44Å; R140-L153 HydrophobicContact CB-CD2 4.2Å; R140-L153 HydrophobicContact CG-CD2 4.05Å; R140-L153 PolarHBondContact NH1-O 3.47Å; R140-L153 VanDerWaalsContact NH1-O 3.12Å; V143-L153 HydrophobicContact CB-CD2 3.91Å; V143-L153 HydrophobicContact CG1-CD1 3.86Å; V143-L153 HydrophobicContact CG1-CD2 3.97Å; I144-L153 HydrophobicContact CG1-CD2 4.23Å; L150-L153 HydrophobicContact CD2-CB 4Å; L150-L153 HydrophobicContact CD2-CD1 4.23Å; L153-Q155 VanDerWaalsContact C-N 3.33Å; L153-Q155 PolarHBondContact O-N 3Å; L153-E156 PolarHBondContact N-O 2.96Å; L153-E156 PolarHBondContact O-N 3.48Å; L153-I158 HydrophobicContact CB-CD1 4.06Å; L153-I158 HydrophobicContact CB-CG1 4.14Å |
| 154 | D | 95.7 | Very high | 95.2 | Very high | 25 Ų | 25 | 63.5 Ų | 63.5 | 13% | 0.134 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 39.4 | 173.3 | -66.1 | -35 | 0 | 0 | 0 | 114.9 | L111 L113 S114 Y139 E156 | L111-D154 PolarHBondContact O-N 3.33Å; L113-D154 WeakPolarHBondContact CA-OD1 3.04Å; L113-D154 PolarHBondContact N-OD1 3.32Å; S114-D154 PolarHBondContact N-OD1 3.02Å; Y139-D154 WeakPolarHBondContact CE1-OD2 3.07Å; Y139-D154 PolarHBondContact OH-OD2 3.38Å; D154-E156 PolarHBondContact O-N 2.98Å |
| 155 | Q | 92 | Very high | 95 | Very high | 104 Ų | 104 | 66.9 Ų | 66.9 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -5.9 | -172.2 | -50 | -170 | -63.2 | 0 | 0 | 115.9 | W112 L153 | W112-Q155 HydrophobicContact CD2-CG 4.01Å; W112-Q155 HydrophobicContact CE3-CG 4.44Å; W112-Q155 VanDerWaalsContact CH2-CD 3.5Å; W112-Q155 HydrophobicContact CH2-CG 4.03Å; W112-Q155 HydrophobicContact CZ2-CG 3.51Å; W112-Q155 HydrophobicContact CZ3-CG 4.45Å; L153-Q155 VanDerWaalsContact C-N 3.33Å; L153-Q155 PolarHBondContact O-N 3Å |
| 156 | E | 94.9 | Very high | 95 | Very high | 111 Ų | 111 | 63.9 Ų | 63.9 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 142.2 | 179 | -61.4 | 174.3 | 152 | 0 | 0 | 110.8 | R140 H152 L153 D154 | R140-E156 IonicContact CZ-OE2 2.69Å; R140-E156 IonicContact NE-OE2 2.66Å; R140-E156 IonicContact NH1-OE2 3.56Å; R140-E156 PolarHBondContact NH1-OE2 2.79Å; R140-E156 IonicContact NH2-OE2 3.98Å; H152-E156 CarbonylContact C-O 3.55Å; H152-E156 VanDerWaalsContact CA-O 3.25Å; H152-E156 WeakPolarHBondContact CA-O 3.18Å; L153-E156 PolarHBondContact N-O 2.96Å; L153-E156 PolarHBondContact O-N 3.48Å; D154-E156 PolarHBondContact O-N 2.98Å |
| 157 | V | 96.7 | Very high | 94.8 | Very high | 95 Ų | 95 | 69.5 Ų | 69.5 | 58% | 0.576 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.1 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | T159 | V157-T159 PolarHBondContact O-N 3.44Å |
| 158 | I | 96.2 | Very high | 94.5 | Very high | 11 Ų | 11 | 76.5 Ų | 76.5 | 6% | 0.056 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 117.1 | 177.5 | -64.8 | 160.5 | 0 | 0 | 0 | 109.6 | I144 L150 M151 L153 E162 R163 | I144-I158 HydrophobicContact CD1-CD1 4.49Å; I144-I158 HydrophobicContact CD1-CG1 4.13Å; I144-I158 HydrophobicContact CD1-CG2 3.94Å; I144-I158 HydrophobicContact CG1-CD1 3.97Å; I144-I158 HydrophobicContact CG1-CG1 4.16Å; I144-I158 HydrophobicContact CG1-CG2 4.23Å; I144-I158 HydrophobicContact CG2-CG2 4.13Å; L150-I158 HydrophobicContact CB-CD1 3.83Å; L150-I158 HydrophobicContact CD2-CD1 3.76Å; L150-I158 HydrophobicContact CG-CD1 3.63Å; L150-I158 WeakPolarHBondContact O-CD1 3.47Å; M151-I158 PolarHBondContact O-N 2.71Å; L153-I158 HydrophobicContact CB-CD1 4.06Å; L153-I158 HydrophobicContact CB-CG1 4.14Å; I158-E162 WeakPolarHBondContact CA-OE2 3.45Å; I158-E162 HydrophobicContact CG2-CB 4.41Å; I158-R163 HydrophobicContact CG2-CG 3.87Å |
| 159 | T | 96 | Very high | 94.3 | Very high | 63 Ų | 63 | 73.5 Ų | 73.5 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -79 | 170.3 | 179.1 | 76.4 | 0 | 0 | 0 | 0 | 112.2 | V157 E161 E162 R163 | V157-T159 PolarHBondContact O-N 3.44Å; T159-E161 PolarHBondContact OG1-N 3.39Å; T159-E162 PolarHBondContact N-OE2 2.69Å; T159-E162 WeakPolarHBondContact OG1-CG 3.32Å; T159-E162 PolarHBondContact OG1-N 2.99Å; T159-R163 WeakPolarHBondContact O-CG 3.37Å; T159-R163 PolarHBondContact O-N 3.08Å |
| 160 | L | 94.1 | Very high | 94 | Very high | 135 Ų | 135 | 72 Ų | 72 | 71% | 0.707 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.4 | -40.9 | 171.5 | -68.9 | 174.9 | 0 | 0 | 0 | 111.4 | E162 R163 E164 | L160-E162 VanDerWaalsContact C-N 3.32Å; L160-E162 PolarHBondContact O-N 2.92Å; L160-R163 WeakPolarHBondContact O-CB 3.29Å; L160-R163 PolarHBondContact O-N 3.24Å; L160-E164 PolarHBondContact O-N 2.84Å |
| 161 | E | 94.5 | Very high | 93.7 | Very high | 145 Ų | 145 | 75.8 Ų | 75.8 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.6 | -42.3 | 176.3 | -61.6 | 171.6 | -175.7 | 0 | 0 | 111.4 | T159 R163 E164 L165 | T159-E161 PolarHBondContact OG1-N 3.39Å; E161-R163 VanDerWaalsContact C-N 3.28Å; E161-R163 PolarHBondContact O-N 3.45Å; E161-E164 PolarHBondContact O-N 2.64Å; E161-L165 WeakPolarHBondContact O-CB 3.45Å; E161-L165 VanDerWaalsContact O-CG 3.3Å; E161-L165 WeakPolarHBondContact O-CG 3.44Å; E161-L165 PolarHBondContact O-N 2.8Å |
| 162 | E | 94.2 | Very high | 93.5 | Very high | 40 Ų | 40 | 78.2 Ų | 78.2 | 19% | 0.187 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.6 | -31.5 | 174.6 | -76.1 | -173.1 | 111.5 | 0 | 0 | 113.2 | R140 I144 I158 T159 L160 S166 | R140-E162 IonicContact CZ-OE1 3.21Å; R140-E162 IonicContact NE-OE1 2.76Å; R140-E162 PolarHBondContact NE-OE1 2.81Å; R140-E162 IonicContact NH2-OE1 3.71Å; R140-E162 PolarHBondContact NH2-OE1 2.62Å; R140-E162 IonicContact NH2-OE2 2.68Å; R140-E162 PolarHBondContact NH2-OE2 2.8Å; I144-E162 HydrophobicContact CD1-CB 4.17Å; I158-E162 WeakPolarHBondContact CA-OE2 3.45Å; I158-E162 HydrophobicContact CG2-CB 4.41Å; T159-E162 PolarHBondContact N-OE2 2.69Å; T159-E162 WeakPolarHBondContact OG1-CG 3.32Å; T159-E162 PolarHBondContact OG1-N 2.99Å; L160-E162 VanDerWaalsContact C-N 3.32Å; L160-E162 PolarHBondContact O-N 2.92Å; E162-S166 VanDerWaalsContact O-CB 3.29Å; E162-S166 WeakPolarHBondContact O-CB 3.26Å; E162-S166 PolarHBondContact O-N 3.12Å |
| 163 | R | 95.3 | Very high | 93.3 | Very high | 67 Ų | 67 | 75.6 Ų | 75.6 | 25% | 0.253 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.8 | -46.5 | 175.3 | -68.6 | 176.8 | -167.6 | -85.3 | -3.9 | 111 | I144 Q148 L150 I158 T159 L160 E161 L165 S166 E167 | I144-R163 HydrophobicContact CG2-CG 4.04Å; Q148-R163 PolarHBondContact O-NH1 3.1Å; L150-R163 PolarHBondContact O-NH1 3.13Å; L150-R163 PolarHBondContact O-NH2 2.97Å; I158-R163 HydrophobicContact CG2-CG 3.87Å; T159-R163 WeakPolarHBondContact O-CG 3.37Å; T159-R163 PolarHBondContact O-N 3.08Å; L160-R163 WeakPolarHBondContact O-CB 3.29Å; L160-R163 PolarHBondContact O-N 3.24Å; E161-R163 VanDerWaalsContact C-N 3.28Å; E161-R163 PolarHBondContact O-N 3.45Å; R163-L165 PolarHBondContact O-N 3.01Å; R163-S166 WeakPolarHBondContact O-CA 3.22Å; R163-S166 WeakPolarHBondContact O-CB 3.5Å; R163-S166 PolarHBondContact O-N 3.03Å; R163-S166 PolarHBondContact O-OG 2.92Å; R163-E167 VanDerWaalsContact O-CG 3.29Å; R163-E167 WeakPolarHBondContact O-CG 3.3Å; R163-E167 PolarHBondContact O-N 3.11Å |
| 164 | E | 94.7 | Very high | 92.9 | Very high | 139 Ų | 139 | 81 Ų | 81 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.4 | -48 | 175.8 | -67.6 | 175.1 | 179.4 | 0 | 0 | 110.6 | L160 E161 S166 E167 E168 | L160-E164 PolarHBondContact O-N 2.84Å; E161-E164 PolarHBondContact O-N 2.64Å; E164-S166 VanDerWaalsContact C-N 3.27Å; E164-S166 PolarHBondContact O-N 3.44Å; E164-E167 WeakPolarHBondContact O-CB 3.39Å; E164-E167 PolarHBondContact O-N 3.42Å; E164-E168 PolarHBondContact O-N 3.44Å |
| 165 | L | 92.8 | Very high | 92.2 | Very high | 75 Ų | 75 | 80.9 Ų | 80.9 | 39% | 0.393 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59 | -36.2 | 172.9 | -71.8 | 170.1 | 0 | 0 | 0 | 112.6 | E161 R163 E167 E168 H169 | E161-L165 WeakPolarHBondContact O-CB 3.45Å; E161-L165 VanDerWaalsContact O-CG 3.3Å; E161-L165 WeakPolarHBondContact O-CG 3.44Å; E161-L165 PolarHBondContact O-N 2.8Å; R163-L165 PolarHBondContact O-N 3.01Å; L165-E167 VanDerWaalsContact C-N 3.28Å; L165-E167 PolarHBondContact O-N 3.39Å; L165-E168 PolarHBondContact O-N 2.76Å; L165-H169 WeakPolarHBondContact O-CB 3.35Å; L165-H169 PolarHBondContact O-N 2.82Å; L165-H169 PolarHBondContact O-ND1 2.65Å |
| 166 | S | 93.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 80 Ų | 80 | 4% | 0.035 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.7 | -27.4 | 175.4 | 84.3 | 0 | 0 | 0 | 0 | 113.5 | C141 R145 E162 R163 E164 G170 | C141-S166 WeakPolarHBondContact O-CB 3.21Å; R145-S166 VanDerWaalsContact CD-O 3.29Å; R145-S166 WeakPolarHBondContact CD-O 3.29Å; E162-S166 VanDerWaalsContact O-CB 3.29Å; E162-S166 WeakPolarHBondContact O-CB 3.26Å; E162-S166 PolarHBondContact O-N 3.12Å; R163-S166 WeakPolarHBondContact O-CA 3.22Å; R163-S166 WeakPolarHBondContact O-CB 3.5Å; R163-S166 PolarHBondContact O-N 3.03Å; R163-S166 PolarHBondContact O-OG 2.92Å; E164-S166 VanDerWaalsContact C-N 3.27Å; E164-S166 PolarHBondContact O-N 3.44Å; S166-G170 WeakPolarHBondContact O-CA 3.5Å; S166-G170 PolarHBondContact O-N 3.19Å |
| 167 | E | 92.5 | Very high | 91.2 | Very high | 121 Ų | 121 | 79.3 Ų | 79.3 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.9 | -35 | 178.2 | -55.2 | -142.9 | 115.5 | 0 | 0 | 112.4 | R145 R163 E164 L165 | R145-E167 IonicContact NH1-OE1 3.82Å; R145-E167 PolarHBondContact NH1-OE1 2.94Å; R145-E167 PolarHBondContact NH2-O 3.15Å; R145-E167 VanDerWaalsContact NH2-O 3.14Å; R163-E167 VanDerWaalsContact O-CG 3.29Å; R163-E167 WeakPolarHBondContact O-CG 3.3Å; R163-E167 PolarHBondContact O-N 3.11Å; E164-E167 WeakPolarHBondContact O-CB 3.39Å; E164-E167 PolarHBondContact O-N 3.42Å; L165-E167 VanDerWaalsContact C-N 3.28Å; L165-E167 PolarHBondContact O-N 3.39Å |
| 168 | E | 89.3 | Confident | 90.3 | Very high | 149 Ų | 149 | 76.1 Ų | 76.1 | 70% | 0.696 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -81.6 | -46.6 | 178.3 | -175.2 | 179 | -158.1 | 0 | 0 | 112.7 | E164 L165 | E164-E168 PolarHBondContact O-N 3.44Å; L165-E168 PolarHBondContact O-N 2.76Å |
| 169 | H | 87.6 | Confident | 89.2 | Confident | 74 Ų | 74 | 83.1 Ų | 83.1 | 34% | 0.343 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -108.9 | -13.5 | -169.7 | -62 | 88.7 | 0 | 0 | 0 | 114.7 | L165 | L165-H169 WeakPolarHBondContact O-CB 3.35Å; L165-H169 PolarHBondContact O-N 2.82Å; L165-H169 PolarHBondContact O-ND1 2.65Å |
| 170 | G | 87.3 | Confident | 87.8 | Confident | 13 Ų | 13 | 85.4 Ų | 85.4 | 13% | 0.134 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 127.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S166 F172 | S166-G170 WeakPolarHBondContact O-CA 3.5Å; S166-G170 PolarHBondContact O-N 3.19Å; G170-F172 PolarHBondContact O-N 3.21Å |
| 171 | I | 90.8 | Very high | 86.2 | Confident | 79 Ų | 79 | 84.3 Ų | 84.3 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 128.7 | 177.9 | -57.8 | -175.8 | 0 | 0 | 0 | 109.5 | F122 T142 N146 L173 | F122-I171 HydrophobicContact CD1-CD1 4.49Å; F122-I171 HydrophobicContact CE1-CD1 3.48Å; F122-I171 VanDerWaalsContact CE1-CD1 3.48Å; F122-I171 HydrophobicContact CZ-CD1 3.76Å; T142-I171 HydrophobicContact CG2-CB 4.11Å; T142-I171 PolarHBondContact OG1-N 2.91Å; N146-I171 PolarHBondContact ND2-O 3.44Å; I171-L173 HydrophobicContact CG2-CD2 4.19Å; I171-L173 PolarHBondContact O-N 3.19Å |
| 172 | F | 91.6 | Very high | 83.8 | Confident | 132 Ų | 132 | 82.8 Ų | 82.8 | 58% | 0.579 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 122.2 | 173.9 | -173.2 | -91.1 | 0 | 0 | 0 | 110.1 | G170 T174 | G170-F172 PolarHBondContact O-N 3.21Å; F172-T174 HydrophobicContact CD1-CG2 4.09Å; F172-T174 HydrophobicContact CE1-CG2 3.85Å |
| 173 | L | 92 | Very high | 81.3 | Confident | 4 Ų | 4 | 86.9 Ų | 86.9 | 2% | 0.021 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -102.4 | 150.2 | -178.1 | -52 | 171.7 | 0 | 0 | 0 | 110.2 | I96 V99 A100 T142 N146 I171 | I96-L173 HydrophobicContact CG1-CD1 4.29Å; I96-L173 HydrophobicContact CG2-CD2 4.32Å; I96-L173 WeakPolarHBondContact O-CD1 3.47Å; V99-L173 HydrophobicContact CB-CD1 4.08Å; A100-L173 HydrophobicContact CB-CB 3.73Å; T142-L173 HydrophobicContact CG2-CD1 3.88Å; T142-L173 HydrophobicContact CG2-CD2 4.11Å; T142-L173 HydrophobicContact CG2-CG 4.05Å; N146-L173 WeakPolarHBondContact ND2-CG 3.5Å; N146-L173 PolarHBondContact OD1-N 3.09Å; N146-L173 PolarHBondContact OD1-O 3.01Å; I171-L173 HydrophobicContact CG2-CD2 4.19Å; I171-L173 PolarHBondContact O-N 3.19Å |
| 174 | T | 88.2 | Confident | 78.7 | Confident | 114 Ų | 114 | 92.2 Ų | 92.2 | 70% | 0.699 | 48% | 0.479 | S | S | * | . | trans | -124.5 | 132.7 | -179.9 | 51.5 | 0 | 0 | 0 | 0 | 111 | F172 | F172-T174 HydrophobicContact CD1-CG2 4.09Å; F172-T174 HydrophobicContact CE1-CG2 3.85Å | ||
| 175 | A | 83 | Confident | 75.8 | Confident | 22 Ų | 22 | 95 Ų | 95 | 18% | 0.182 | 49% | 0.491 | C | S | . | . | trans | -126.1 | 157.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | A100 Y104 | A100-A175 HydrophobicContact CB-CB 3.56Å; Y104-A175 HydrophobicContact CE2-CB 4.39Å; Y104-A175 PolarHBondContact OH-O 3.26Å | ||
| 176 | P | 84.4 | Confident | 73.2 | Confident | 87 Ų | 87 | 96.1 Ų | 96.1 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 145.6 | 163.5 | 28.2 | -34.6 | 0 | 0 | 0 | 110.4 | ||
| 177 | P | 79.9 | Confident | 70.1 | Confident | 95 Ų | 95 | 103.7 Ų | 103.7 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 153.8 | 176.8 | 27.6 | -34.8 | 0 | 0 | 0 | 111.4 | Q179 | P177-Q179 PolarHBondContact O-N 3.35Š|
| 178 | P | 78.8 | Confident | 67.3 | Low | 29 Ų | 29 | 102.7 Ų | 102.7 | 19% | 0.188 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 128.1 | 179.8 | -16.8 | 28.8 | 0 | 0 | 0 | 110.4 | S78 Y104 L180 | S78-P178 WeakPolarHBondContact O-CG 3.22Å; Y104-P178 HydrophobicContact CD1-CG 4.2Å; Y104-P178 HydrophobicContact CD2-CG 3.67Å; Y104-P178 HydrophobicContact CE2-CG 4.27Å; Y104-P178 HydrophobicContact CG-CG 3.63Å; P178-L180 PolarHBondContact O-N 2.93Å |
| 179 | Q | 73 | Confident | 64.7 | Low | 158 Ų | 158 | 104.5 Ų | 104.5 | 74% | 0.738 | 56% | 0.555 | S | S | * | * | trans | -71 | 97.8 | 166.6 | -69 | -179.5 | -5.2 | 0 | 0 | 107.7 | N79 P177 I181 | N79-Q179 PolarHBondContact ND2-O 2.95Å; P177-Q179 PolarHBondContact O-N 3.35Å; Q179-I181 PolarHBondContact O-N 2.97Å | ||
| 180 | L | 66 | Low | 62.3 | Low | 110 Ų | 110 | 108.9 Ų | 108.9 | 58% | 0.576 | 58% | 0.58 | S | S | * | * | trans | -66.4 | 124.4 | 171.5 | -64.5 | 178.6 | 0 | 0 | 0 | 108.3 | P178 I182 | P178-L180 PolarHBondContact O-N 2.93Å; L180-I182 VanDerWaalsContact C-N 3.32Å; L180-I182 PolarHBondContact O-N 3.26Å | ||
| 181 | I | 61.2 | Low | 59.8 | Low | 113 Ų | 113 | 113.6 Ų | 113.6 | 58% | 0.579 | 61% | 0.611 | S | S | * | * | trans | -73.5 | 94.3 | 171.9 | -56.4 | 172.5 | 0 | 0 | 0 | 106.2 | K56 Q179 | K56-I181 HydrophobicContact CB-CD1 4.44Å; Q179-I181 PolarHBondContact O-N 2.97Å | ||
| 182 | I | 44 | Very low | 57 | Low | 113 Ų | 113 | 118.7 Ų | 118.7 | 58% | 0.579 | 63% | 0.633 | S | S | * | * | trans | -81.6 | 120.4 | 167.1 | -58.1 | 174.3 | 0 | 0 | 0 | 106 | L180 E184 | L180-I182 VanDerWaalsContact C-N 3.32Å; L180-I182 PolarHBondContact O-N 3.26Å; I182-E184 VanDerWaalsContact C-N 3.32Å; I182-E184 PolarHBondContact O-N 3.13Å | ||
| 183 | D | 41.6 | Very low | 54.2 | Low | 125 Ų | 125 | 118.9 Ų | 118.9 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | trans | -69.5 | 89.2 | 173.2 | -73.3 | -38.3 | 0 | 0 | 0 | 109.6 | Q185 S186 | D183-Q185 PolarHBondContact O-N 2.99Å; D183-S186 PolarHBondContact O-OG 3.13Å | ||
| 184 | E | 39.8 | Very low | 51.5 | Low | 179 Ų | 179 | 124.9 Ų | 124.9 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 21.3 | 176.5 | -68.7 | -169 | 142.2 | 0 | 0 | 114.2 | I182 | I182-E184 VanDerWaalsContact C-N 3.32Å; I182-E184 PolarHBondContact O-N 3.13Å |
| 185 | Q | 35.5 | Very low | 48.7 | Very low | 197 Ų | 197 | 127.1 Ų | 127.1 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 17.3 | 176.1 | -64.8 | -164.2 | -14.8 | 0 | 0 | 113.5 | D183 | D183-Q185 PolarHBondContact O-N 2.99Š|
| 186 | S | 36.4 | Very low | 46.1 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -140.7 | 13.8 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 115.1 | D183 | D183-S186 PolarHBondContact O-OG 3.13Š|
| 187 | Q | 29.6 | Very low | 43.7 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | trans | -120.5 | 74.7 | 178.2 | -66.3 | -169.7 | 7.3 | 0 | 0 | 112.1 | ||||
| 188 | S | 33.5 | Very low | 41.4 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -138.9 | 115.5 | 161.4 | 60.2 | 0 | 0 | 0 | 0 | 108.2 | ||
| 189 | E | 34.4 | Very low | 39.1 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | 67.9 | 122.5 | -174.5 | -49.3 | 170.9 | -172.8 | 0 | 0 | 111 | ||||
| 190 | I | 36.3 | Very low | 37.2 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | -148.1 | 138.8 | 50.3 | -72.9 | 146.9 | 0 | 0 | 0 | 110.2 | |||||
| 191 | S | 36.3 | Very low | 35.5 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -72.7 | 158.6 | 177.7 | -53.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 192 | E | 30.8 | Very low | 33.9 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -41 | 131.7 | 175.9 | -54.4 | 169.1 | 131.6 | 0 | 0 | 114.8 | ||||
| 193 | T | 33.7 | Very low | 33.5 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | -177.3 | 150.9 | 126.2 | 21.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 194 | T | 34.7 | Very low | 33 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 81.4 | 91.4 | 161.4 | -28.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 195 | L | 29 | Very low | 32.5 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -63.9 | 149.3 | 150.4 | -73.2 | 155.3 | 0 | 0 | 0 | 111 | ||||
| 196 | T | 29.9 | Very low | 32.5 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 127.3 | 146.9 | 147.8 | 61.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 197 | N | 34.1 | Very low | 32.3 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | 76.1 | 93.4 | 167.7 | -58.4 | -19.9 | 0 | 0 | 0 | 117.8 | ||||
| 198 | I | 31.7 | Very low | 32.5 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | 83.4 | 128.3 | 72.3 | -71.4 | 170.7 | 0 | 0 | 0 | 114.1 | |||||
| 199 | N | 30.6 | Very low | 32.5 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | 85.2 | 109.5 | 163.5 | -70.4 | -11.5 | 0 | 0 | 0 | 121.2 | ||||
| 200 | Q | 31.7 | Very low | 32.4 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | 38.3 | 121.6 | 117.2 | -62.7 | 171.4 | -29 | 0 | 0 | 116.4 | |||||
| 201 | T | 29.9 | Very low | 32.2 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | -159.9 | 157 | 65.2 | 42.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 202 | D | 29.1 | Very low | 32 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 50.9 | 123 | 150.2 | -48.3 | -22.8 | 0 | 0 | 0 | 120.8 | ||||
| 203 | V | 34.8 | Very low | 32.1 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | -174.9 | 116.8 | 119.1 | 154.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 204 | D | 32.1 | Very low | 31.8 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | 32.9 | 109.5 | 156.9 | -62.1 | -20.3 | 0 | 0 | 0 | 122.4 | ||||
| 205 | E | 29.1 | Very low | 31.8 | Very low | 189 Ų | 189 | 131.2 Ų | 131.2 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -70.2 | 134.7 | 152.2 | -63.4 | 175.8 | 115.3 | 0 | 0 | 111.7 | ||||
| 206 | S | 34.9 | Very low | 31.9 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | trans | -153.3 | 103.5 | 144.6 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 207 | V | 32.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 125 Ų | 125 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | trans | -100.3 | 103.9 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 208 | D | 33.1 | Very low | 31.9 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | trans | -91.6 | 126.3 | 176.2 | -112.3 | -18.4 | 0 | 0 | 0 | 111.4 | ||||
| 209 | T | 33.8 | Very low | 32 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 53% | 0.528 | 67% | 0.67 | S | S | . | * | trans | -98.2 | 141.2 | -159.2 | 48.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 210 | H | 31.9 | Very low | 32.1 | Very low | 169 Ų | 169 | 116.6 Ų | 116.6 | 78% | 0.782 | 66% | 0.657 | S | S | * | * | trans | 19.9 | 101.6 | 148.6 | -68.8 | -72 | 0 | 0 | 0 | 119.6 | V212 | H210-V212 HydrophobicContact CB-CG2 4.07Å; H210-V212 PolarHBondContact O-N 3.38Å | ||
| 211 | S | 33 | Very low | 32.3 | Very low | 117 Ų | 117 | 113.3 Ų | 113.3 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -86.8 | 82.6 | 150.7 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | I213 | S211-I213 PolarHBondContact O-N 2.9Š| ||
| 212 | V | 30.5 | Very low | 32.3 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 60% | 0.6 | 65% | 0.652 | S | S | * | * | trans | -67.3 | 117.7 | 174.4 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | H210 | H210-V212 HydrophobicContact CB-CG2 4.07Å; H210-V212 PolarHBondContact O-N 3.38Å | ||
| 213 | I | 34 | Very low | 32.4 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | trans | -108.4 | 105.8 | 157.4 | -63.7 | 175.3 | 0 | 0 | 0 | 105.7 | S211 I215 | S211-I213 PolarHBondContact O-N 2.9Å; I213-I215 VanDerWaalsContact C-N 3.33Å; I213-I215 PolarHBondContact O-N 2.85Å | ||
| 214 | D | 28 | Very low | 32.3 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 64% | 0.642 | 65% | 0.65 | S | S | * | * | trans | -63.4 | 96.1 | 173 | -79.8 | -52.3 | 0 | 0 | 0 | 109.9 | T216 | D214-T216 VanDerWaalsContact C-N 3.27Å; D214-T216 PolarHBondContact O-N 2.79Å | ||
| 215 | I | 33.5 | Very low | 32.3 | Very low | 93 Ų | 93 | 121 Ų | 121 | 48% | 0.477 | 65% | 0.65 | S | S | . | * | trans | -75.4 | 95.3 | 152.1 | -56.9 | 178.2 | 0 | 0 | 0 | 104.9 | I213 L217 | I213-I215 VanDerWaalsContact C-N 3.33Å; I213-I215 PolarHBondContact O-N 2.85Å; I215-L217 VanDerWaalsContact C-N 3.31Å; I215-L217 PolarHBondContact O-N 2.96Å | ||
| 216 | T | 30.8 | Very low | 32.4 | Very low | 106 Ų | 106 | 118 Ų | 118 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | trans | -54.7 | 102.2 | 159 | 51.9 | 0 | 0 | 0 | 0 | 107.2 | D214 S218 | D214-T216 VanDerWaalsContact C-N 3.27Å; D214-T216 PolarHBondContact O-N 2.79Å; T216-S218 PolarHBondContact O-N 3.44Å | ||
| 217 | L | 33.9 | Very low | 32.2 | Very low | 45 Ų | 45 | 123.1 Ų | 123.1 | 24% | 0.236 | 64% | 0.641 | C | S | . | * | trans | -62.3 | 93.8 | 151.7 | -79 | 160.7 | 0 | 0 | 0 | 104.2 | N43 I63 N65 I215 S219 | N43-L217 HydrophobicContact CB-CD2 3.96Å; I63-L217 HydrophobicContact CB-CD1 4.42Å; I63-L217 HydrophobicContact CG2-CD1 3.41Å; I63-L217 VanDerWaalsContact CG2-CD1 3.41Å; N65-L217 HydrophobicContact CB-CD2 4.29Å; I215-L217 VanDerWaalsContact C-N 3.31Å; I215-L217 PolarHBondContact O-N 2.96Å; L217-S219 VanDerWaalsContact C-N 3.29Å; L217-S219 PolarHBondContact O-N 2.87Å | ||
| 218 | S | 30.9 | Very low | 32.1 | Very low | 57 Ų | 57 | 128.2 Ų | 128.2 | 40% | 0.399 | 65% | 0.648 | S | S | . | * | trans | -60.7 | 96.4 | 178.9 | -66.6 | 0 | 0 | 0 | 0 | 108.2 | T216 D220 | T216-S218 PolarHBondContact O-N 3.44Å; S218-D220 WeakPolarHBondContact CB-OD1 3.46Å; S218-D220 PolarHBondContact O-N 3.48Å | ||
| 219 | S | 34.6 | Very low | 32.1 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 63% | 0.629 | 66% | 0.662 | S | S | * | * | trans | -81.2 | 92.6 | 159.7 | 54.4 | 0 | 0 | 0 | 0 | 106 | L217 I221 | L217-S219 VanDerWaalsContact C-N 3.29Å; L217-S219 PolarHBondContact O-N 2.87Å; S219-I221 VanDerWaalsContact C-N 3.34Å; S219-I221 PolarHBondContact O-N 3.32Å | ||
| 220 | D | 31.5 | Very low | 31.9 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 42% | 0.417 | 67% | 0.668 | S | S | . | * | trans | -69.3 | 95.6 | 176 | -48.8 | -47.8 | 0 | 0 | 0 | 107.1 | S218 E349 | S218-D220 WeakPolarHBondContact CB-OD1 3.46Å; S218-D220 PolarHBondContact O-N 3.48Å; D220-E349 VanDerWaalsContact CG-OE2 3.22Å | ||
| 221 | I | 36.1 | Very low | 32.1 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 52% | 0.518 | 67% | 0.665 | S | S | . | * | trans | -131.6 | 90.7 | 174.2 | -56.1 | -178.4 | 0 | 0 | 0 | 107.2 | S219 M223 | S219-I221 VanDerWaalsContact C-N 3.34Å; S219-I221 PolarHBondContact O-N 3.32Å; I221-M223 VanDerWaalsContact C-N 3.32Å; I221-M223 HydrophobicContact CG2-CG 4.24Å; I221-M223 PolarHBondContact O-N 3.43Å | ||
| 222 | E | 30.6 | Very low | 31.9 | Very low | 189 Ų | 189 | 133 Ų | 133 | 88% | 0.883 | 67% | 0.667 | S | S | * | * | trans | -63.1 | 97 | 159.4 | -72 | -166.5 | 137 | 0 | 0 | 108.6 | K224 | E222-K224 VanDerWaalsContact C-N 3.34Å; E222-K224 PolarHBondContact O-N 2.91Å | ||
| 223 | M | 30.4 | Very low | 31.8 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | trans | -65.8 | 95.1 | 167.5 | -70.8 | -179.1 | 69.7 | 0 | 0 | 109.1 | I221 K225 | I221-M223 VanDerWaalsContact C-N 3.32Å; I221-M223 HydrophobicContact CG2-CG 4.24Å; I221-M223 PolarHBondContact O-N 3.43Å; M223-K225 PolarHBondContact O-N 3.37Å | ||
| 224 | K | 32.5 | Very low | 31.6 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | trans | -58.7 | 103.8 | 159.5 | -83.3 | -172.7 | 176.8 | 177.7 | 0 | 108.1 | E222 D226 | E222-K224 VanDerWaalsContact C-N 3.34Å; E222-K224 PolarHBondContact O-N 2.91Å; K224-D226 PolarHBondContact O-N 3.47Å | ||
| 225 | K | 32.2 | Very low | 31.5 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | trans | -81.8 | 63.8 | -178.5 | -164.6 | 174.2 | -174 | 172.2 | 0 | 109.9 | M223 R227 | M223-K225 PolarHBondContact O-N 3.37Å; K225-R227 PolarHBondContact O-N 3.39Å | ||
| 226 | D | 32 | Very low | 31.5 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | trans | -70 | 111.3 | 177.1 | -73.8 | -31.4 | 0 | 0 | 0 | 109.5 | K224 Y228 | K224-D226 PolarHBondContact O-N 3.47Å; D226-Y228 PolarHBondContact O-N 3.38Å | ||
| 227 | R | 29.7 | Very low | 31.4 | Very low | 228 Ų | 228 | 143.6 Ų | 143.6 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | trans | -78.4 | 98.4 | -178.8 | -80.6 | 174.6 | -81 | -165.3 | -5.4 | 109.6 | K225 | K225-R227 PolarHBondContact O-N 3.39Š| ||
| 228 | Y | 30.9 | Very low | 31.2 | Very low | 231 Ų | 231 | 149.7 Ų | 149.7 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | trans | -89.9 | 95 | 152.3 | -75.1 | -83.6 | 0 | 0 | 0 | 108.8 | D226 | D226-Y228 PolarHBondContact O-N 3.38Š| ||
| 229 | Q | 32.7 | Very low | 31.2 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | trans | -123.3 | 123.3 | 159.3 | -163.1 | 160.3 | 11.4 | 0 | 0 | 106.8 | ||||
| 230 | S | 30.8 | Very low | 30.8 | Very low | 93 Ų | 93 | 156.4 Ų | 156.4 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | -76 | 167.4 | -169.5 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 231 | D | 34.7 | Very low | 30.8 | Very low | 135 Ų | 135 | 160.7 Ų | 160.7 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | 88.8 | 112.3 | 152.1 | -51.5 | -47.4 | 0 | 0 | 0 | 120.6 | ||||
| 232 | L | 30.1 | Very low | 30.3 | Very low | 167 Ų | 167 | 162.8 Ų | 162.8 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | 89.8 | 122.7 | 143.9 | -67.2 | 155.4 | 0 | 0 | 0 | 119.4 | ||||
| 233 | P | 27.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 161 Ų | 161 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -97.5 | 142.7 | -178 | 37.1 | -33.1 | 0 | 0 | 0 | 113.5 | ||||
| 234 | V | 30.4 | Very low | 30.3 | Very low | 149 Ų | 149 | 158.6 Ų | 158.6 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | trans | -137.5 | 139.9 | 160.1 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 235 | T | 26 | Very low | 30.3 | Very low | 120 Ų | 120 | 156.7 Ų | 156.7 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -92.1 | 148.8 | -168.1 | 50.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 236 | K | 33.6 | Very low | 30.3 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 158.4 | 113.7 | 140.3 | -86.4 | 156.6 | -173.7 | -179.8 | 0 | 108.6 | ||||
| 237 | K | 27.7 | Very low | 30.4 | Very low | 183 Ų | 183 | 154.4 Ų | 154.4 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | 90.9 | 145 | 70.4 | -106.7 | -164.4 | 175.7 | -170.1 | 0 | 113.2 | |||||
| 238 | E | 30.3 | Very low | 30.5 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 74.8 | 139.5 | 173.3 | -67.2 | 153.5 | -144 | 0 | 0 | 116.2 | ||||
| 239 | S | 31.3 | Very low | 30.4 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | cis | -176.6 | 132.8 | -19.9 | 43.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 240 | Q | 27.1 | Very low | 30.5 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | 13.2 | 136.9 | 144.9 | -62 | 176.2 | -9.2 | 0 | 0 | 121 | ||||
| 241 | I | 30.4 | Very low | 30.7 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | -159.4 | 128.6 | 124.6 | -93.3 | 143.4 | 0 | 0 | 0 | 108.5 | |||||
| 242 | N | 25.3 | Very low | 30.8 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -108.4 | 156.7 | 165.3 | -75.3 | -16.2 | 0 | 0 | 0 | 108.9 | ||||
| 243 | N | 32.1 | Very low | 31 | Very low | 153 Ų | 153 | 150 Ų | 150 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 166.7 | 122.7 | 141.5 | -81.2 | -15.2 | 0 | 0 | 0 | 107.4 | ||||
| 244 | V | 30 | Very low | 31.5 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 70% | 0.697 | 76% | 0.764 | S | S | * | * | 88.7 | 144.7 | 51.6 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 245 | D | 32.2 | Very low | 31.7 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 76.6 | 146.5 | 179.8 | -56.8 | -35.5 | 0 | 0 | 0 | 117.1 | ||||
| 246 | N | 32.8 | Very low | 32.4 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -173.5 | 166.1 | -17.2 | -94.9 | -25.1 | 0 | 0 | 0 | 108.2 | ||||
| 247 | D | 32.3 | Very low | 32.8 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | cis | -176.7 | -177.7 | -20.8 | -173.8 | 16 | 0 | 0 | 0 | 108.7 | ||||
| 248 | I | 31.6 | Very low | 33.4 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 65% | 0.651 | 73% | 0.729 | S | S | * | * | trans | 82.5 | 105.2 | 145.2 | -88.7 | 158.3 | 0 | 0 | 0 | 121 | ||||
| 249 | I | 30 | Very low | 33.8 | Very low | 129 Ų | 129 | 135 Ų | 135 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | 97.8 | 119.5 | 121.2 | -76.1 | -175.9 | 0 | 0 | 0 | 124.8 | |||||
| 250 | K | 34.8 | Very low | 34.2 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | trans | 76.5 | 99.4 | 143.3 | -76.1 | 169.1 | -159.5 | 169.2 | 0 | 124.2 | ||||
| 251 | D | 35.1 | Very low | 34.8 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | 60.3 | 151.4 | 104.2 | -86.3 | -3 | 0 | 0 | 0 | 124.3 | |||||
| 252 | P | 36.5 | Very low | 35.2 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | -119.4 | 172.2 | -133.1 | 42.1 | -33 | 0 | 0 | 0 | 115.4 | ||||
| 253 | R | 34.8 | Very low | 35.8 | Very low | 242 Ų | 242 | 129 Ų | 129 | 91% | 0.913 | 68% | 0.677 | S | S | * | * | trans | -139.4 | 115.8 | 169 | -69.5 | -170.6 | -179.2 | -179 | 1.2 | 114.3 | ||||
| 254 | S | 37.5 | Very low | 36 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 53% | 0.531 | 67% | 0.669 | S | S | . | * | trans | 53.2 | 108.6 | 142.3 | -167.3 | 0 | 0 | 0 | 0 | 119.8 | N256 | S254-N256 PolarHBondContact O-N 2.92Å; S254-N256 VanDerWaalsContact O-N 3.11Å | ||
| 255 | T | 34.5 | Very low | 36.4 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -1.7 | 171 | 26.7 | 0 | 0 | 0 | 0 | 116 | ||
| 256 | N | 40.4 | Very low | 36.7 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -81.5 | -21.2 | -176.7 | -83.2 | -33.4 | 0 | 0 | 0 | 115.3 | S254 | S254-N256 PolarHBondContact O-N 2.92Å; S254-N256 VanDerWaalsContact O-N 3.11Å |
| 257 | D | 41.4 | Very low | 36.6 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 57% | 0.567 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.8 | -23.1 | -175.6 | -68.7 | -23.5 | 0 | 0 | 0 | 113.2 | ||
| 258 | I | 40.3 | Very low | 36.6 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 59% | 0.59 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.6 | -33.5 | -179.5 | -62.5 | 176.2 | 0 | 0 | 0 | 111.3 | L261 I262 | I258-L261 PolarHBondContact O-N 3.19Å; I258-I262 HydrophobicContact CG2-CD1 4.32Å |
| 259 | V | 38.7 | Very low | 36.5 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 53% | 0.527 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -71.7 | -31.4 | -179.7 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | N263 | V259-N263 PolarHBondContact O-N 3.24Å; V259-N263 PolarHBondContact O-ND2 3.36Å |
| 260 | Q | 40.8 | Very low | 36.5 | Very low | 130 Ų | 130 | 131 Ų | 131 | 61% | 0.607 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -72.3 | -34.2 | 175.2 | -66.9 | -162 | 6.4 | 0 | 0 | 113.1 | I262 N264 | Q260-I262 VanDerWaalsContact C-N 3.33Å; Q260-I262 PolarHBondContact O-N 2.81Å; Q260-N264 WeakPolarHBondContact O-CB 3.28Å; Q260-N264 VanDerWaalsContact O-CG 3.31Å; Q260-N264 PolarHBondContact O-N 3.03Å; Q260-N264 PolarHBondContact O-ND2 2.9Å |
| 261 | L | 38.3 | Very low | 36.3 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70.1 | -26.7 | -179.9 | -84.3 | 163.1 | 0 | 0 | 0 | 114 | I258 N265 | I258-L261 PolarHBondContact O-N 3.19Å; L261-N265 PolarHBondContact O-ND2 3Å; L261-N265 VanDerWaalsContact O-ND2 3.14Å |
| 262 | I | 38.7 | Very low | 35.8 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 60% | 0.595 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -81.7 | -41.1 | 178.3 | -66 | 170.6 | 0 | 0 | 0 | 111 | I258 Q260 | I258-I262 HydrophobicContact CG2-CD1 4.32Å; Q260-I262 VanDerWaalsContact C-N 3.33Å; Q260-I262 PolarHBondContact O-N 2.81Å |
| 263 | N | 38 | Very low | 35.4 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 55% | 0.551 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72.5 | -29.3 | -179 | -73.2 | -28.2 | 0 | 0 | 0 | 113.7 | V259 N265 | V259-N263 PolarHBondContact O-N 3.24Å; V259-N263 PolarHBondContact O-ND2 3.36Å; N263-N265 VanDerWaalsContact C-N 3.27Å; N263-N265 PolarHBondContact O-N 3.05Å |
| 264 | N | 37.6 | Very low | 35 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 66% | 0.658 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -3.3 | -178.1 | -74.4 | -21.6 | 0 | 0 | 0 | 115.2 | Q260 | Q260-N264 WeakPolarHBondContact O-CB 3.28Å; Q260-N264 VanDerWaalsContact O-CG 3.31Å; Q260-N264 PolarHBondContact O-N 3.03Å; Q260-N264 PolarHBondContact O-ND2 2.9Å |
| 265 | N | 38.6 | Very low | 34.5 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 6.1 | 178.7 | -86.6 | -60.9 | 0 | 0 | 0 | 114.6 | L261 N263 | L261-N265 PolarHBondContact O-ND2 3Å; L261-N265 VanDerWaalsContact O-ND2 3.14Å; N263-N265 VanDerWaalsContact C-N 3.27Å; N263-N265 PolarHBondContact O-N 3.05Å |
| 266 | I | 37.8 | Very low | 34.2 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -97.6 | -23.1 | -175.8 | -66.3 | 177.7 | 0 | 0 | 0 | 113 | ||
| 267 | D | 30.9 | Very low | 33.7 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | trans | -119 | 75.8 | -176.2 | -86.6 | -49.8 | 0 | 0 | 0 | 114.1 | ||||
| 268 | S | 33 | Very low | 33.3 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | -142.6 | 106.4 | 157.7 | 61 | 0 | 0 | 0 | 0 | 113.1 | S270 | S268-S270 PolarHBondContact O-N 3.03Š| ||
| 269 | K | 28.8 | Very low | 32.9 | Very low | 216 Ų | 216 | 139.3 Ų | 139.3 | 94% | 0.939 | 72% | 0.719 | S | S | * | * | trans | -75.5 | 113.7 | 167.5 | -68.8 | 169.6 | -178.1 | 163 | 0 | 109.2 | ||||
| 270 | S | 29 | Very low | 32.9 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | -144 | 133.2 | 164.9 | 65 | 0 | 0 | 0 | 0 | 114.5 | S268 | S268-S270 PolarHBondContact O-N 3.03Š| ||
| 271 | S | 30.8 | Very low | 33.1 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 43.7 | 77.9 | 157.8 | 53.9 | 0 | 0 | 0 | 0 | 119.6 | V273 | S271-V273 PolarHBondContact O-N 3.09Š| ||
| 272 | F | 25 | Very low | 33 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | 0.4 | 97 | 128.4 | -156.2 | -100.8 | 0 | 0 | 0 | 117.6 | K274 | F272-K274 HydrophobicContact CD1-CG 4.38Å; F272-K274 HydrophobicContact CE1-CD 3.87Å; F272-K274 HydrophobicContact CE1-CG 3.77Å; F272-K274 HydrophobicContact CZ-CD 4.25Å; F272-K274 HydrophobicContact CZ-CG 4.13Å | |||
| 273 | V | 28.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | trans | -117.6 | 107.6 | 160.7 | -179.8 | 0 | 0 | 0 | 0 | 110 | S271 R275 | S271-V273 PolarHBondContact O-N 3.09Å; V273-R275 VanDerWaalsContact C-N 3.29Å; V273-R275 HydrophobicContact CG1-CG 4.28Å; V273-R275 PolarHBondContact O-N 2.89Å | ||
| 274 | K | 26.3 | Very low | 33.5 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | -68.4 | 76.7 | 173.7 | -79.1 | 176.5 | 170.3 | 166.8 | 0 | 111.7 | F272 K276 | F272-K274 HydrophobicContact CD1-CG 4.38Å; F272-K274 HydrophobicContact CE1-CD 3.87Å; F272-K274 HydrophobicContact CE1-CG 3.77Å; F272-K274 HydrophobicContact CZ-CD 4.25Å; F272-K274 HydrophobicContact CZ-CG 4.13Å; K274-K276 PolarHBondContact O-N 3.23Å | ||
| 275 | R | 27.1 | Very low | 34.1 | Very low | 234 Ų | 234 | 142.7 Ų | 142.7 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | trans | -74.7 | 91.9 | 162.1 | -81.3 | -175.3 | 173.7 | 167.3 | -0.5 | 109.5 | V273 G277 | V273-R275 VanDerWaalsContact C-N 3.29Å; V273-R275 HydrophobicContact CG1-CG 4.28Å; V273-R275 PolarHBondContact O-N 2.89Å; R275-G277 PolarHBondContact O-N 3.45Å | ||
| 276 | K | 28.3 | Very low | 34.7 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | trans | -49.2 | 127.8 | 170.2 | -80.2 | -179.5 | 172.8 | 177 | 0 | 109.7 | K274 R278 | K274-K276 PolarHBondContact O-N 3.23Å; K276-R278 PolarHBondContact O-N 2.8Å | ||
| 277 | G | 29.9 | Very low | 36.3 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | trans | -63.9 | 121.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R275 | R275-G277 PolarHBondContact O-N 3.45Š| ||
| 278 | R | 32.4 | Very low | 38.3 | Very low | 200 Ų | 200 | 130.7 Ų | 130.7 | 76% | 0.755 | 66% | 0.656 | S | S | * | * | trans | -133.6 | -8.9 | 172.9 | -85.1 | -173.5 | 167 | 169.4 | -5.8 | 115.5 | K276 | K276-R278 PolarHBondContact O-N 2.8Š| ||
| 279 | N | 33.7 | Very low | 40.3 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -100.7 | 3.6 | -168.9 | -66.3 | 12.1 | 0 | 0 | 0 | 115.3 | ||
| 280 | R | 38.5 | Very low | 42.6 | Very low | 218 Ų | 218 | 128.9 Ų | 128.9 | 82% | 0.823 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -85.8 | -28.6 | -179.9 | -149.7 | 174 | -167.7 | 165.3 | 3.7 | 113.5 | ||
| 281 | S | 44.2 | Very low | 44.8 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.3 | -45.7 | 174.7 | 49.3 | 0 | 0 | 0 | 0 | 112 | L283 Q284 D285 | S281-L283 PolarHBondContact O-N 3.28Å; S281-Q284 PolarHBondContact O-N 3.44Å; S281-D285 VanDerWaalsContact O-CB 3.32Å; S281-D285 WeakPolarHBondContact O-CB 3.36Å; S281-D285 PolarHBondContact O-N 3.04Å |
| 282 | Y | 37 | Very low | 47.3 | Very low | 173 Ų | 173 | 123.6 Ų | 123.6 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59 | -46.1 | -176.6 | -78.6 | -85.9 | 0 | 0 | 0 | 113.4 | Q284 D285 V286 | Y282-Q284 VanDerWaalsContact C-N 3.34Å; Y282-Q284 PolarHBondContact O-N 3.25Å; Y282-D285 PolarHBondContact O-N 2.73Å; Y282-V286 VanDerWaalsContact O-CG2 3.28Å; Y282-V286 WeakPolarHBondContact O-CG2 3.25Å; Y282-V286 PolarHBondContact O-N 2.86Å |
| 283 | L | 39.4 | Very low | 50.3 | Low | 130 Ų | 130 | 121 Ų | 121 | 68% | 0.681 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.2 | -44.2 | 177 | -99.6 | 161.4 | 0 | 0 | 0 | 112.1 | S281 V286 T287 | S281-L283 PolarHBondContact O-N 3.28Å; L283-V286 PolarHBondContact O-N 2.86Å; L283-T287 PolarHBondContact O-N 3.48Å; L283-T287 VanDerWaalsContact O-N 3.09Å; L283-T287 PolarHBondContact O-OG1 2.87Å |
| 284 | Q | 46.6 | Very low | 52.7 | Low | 110 Ų | 110 | 119.5 Ų | 119.5 | 51% | 0.514 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.9 | -32.9 | -177.4 | -151.7 | 143.8 | 18.6 | 0 | 0 | 112 | S281 Y282 T287 L288 | S281-Q284 PolarHBondContact O-N 3.44Å; Y282-Q284 VanDerWaalsContact C-N 3.34Å; Y282-Q284 PolarHBondContact O-N 3.25Å; Q284-T287 WeakPolarHBondContact CA-OG1 3.36Å; Q284-T287 PolarHBondContact O-OG1 2.85Å; Q284-L288 PolarHBondContact O-N 3.17Å; Q284-L288 VanDerWaalsContact O-N 3.11Å |
| 285 | D | 51.4 | Low | 55.3 | Low | 58 Ų | 58 | 114.9 Ų | 114.9 | 31% | 0.31 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.1 | -34.2 | 174 | -81.3 | 0.1 | 0 | 0 | 0 | 113.2 | S281 Y282 K289 K305 | S281-D285 VanDerWaalsContact O-CB 3.32Å; S281-D285 WeakPolarHBondContact O-CB 3.36Å; S281-D285 PolarHBondContact O-N 3.04Å; Y282-D285 PolarHBondContact O-N 2.73Å; D285-K289 WeakPolarHBondContact O-CB 3.38Å; D285-K289 VanDerWaalsContact O-CG 3.29Å; D285-K289 WeakPolarHBondContact O-CG 3.39Å; D285-K289 PolarHBondContact O-N 2.78Å; D285-K305 VanDerWaalsContact OD1-CE 3.31Å; D285-K305 WeakPolarHBondContact OD1-CE 3.44Å; D285-K305 IonicContact OD1-NZ 2.96Å; D285-K305 PolarHBondContact OD1-NZ 3.17Å; D285-K305 IonicContact OD2-NZ 3Å; D285-K305 PolarHBondContact OD2-NZ 2.9Å |
| 286 | V | 50.3 | Low | 58.1 | Low | 82 Ų | 82 | 110 Ų | 110 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -53.3 | 170.7 | 169.1 | 0 | 0 | 0 | 0 | 109.4 | Y282 L283 L288 K289 E290 | Y282-V286 VanDerWaalsContact O-CG2 3.28Å; Y282-V286 WeakPolarHBondContact O-CG2 3.25Å; Y282-V286 PolarHBondContact O-N 2.86Å; L283-V286 PolarHBondContact O-N 2.86Å; V286-L288 VanDerWaalsContact C-N 3.25Å; V286-L288 PolarHBondContact O-N 2.89Å; V286-K289 PolarHBondContact O-N 3.2Å; V286-K289 VanDerWaalsContact O-N 3.15Å; V286-E290 WeakPolarHBondContact O-CB 3.38Å; V286-E290 PolarHBondContact O-N 3.16Å |
| 287 | T | 70.4 | Confident | 60.9 | Low | 72 Ų | 72 | 106.6 Ų | 106.6 | 44% | 0.442 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.7 | -36.1 | 179.9 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | L283 Q284 T291 | L283-T287 PolarHBondContact O-N 3.48Å; L283-T287 VanDerWaalsContact O-N 3.09Å; L283-T287 PolarHBondContact O-OG1 2.87Å; Q284-T287 WeakPolarHBondContact CA-OG1 3.36Å; Q284-T287 PolarHBondContact O-OG1 2.85Å; T287-T291 VanDerWaalsContact O-CB 3.29Å; T287-T291 WeakPolarHBondContact O-CB 3.16Å; T287-T291 PolarHBondContact O-N 3.16Å; T287-T291 PolarHBondContact O-OG1 3.13Å |
| 288 | L | 73.3 | Confident | 63.2 | Low | 18 Ų | 18 | 109.1 Ų | 109.1 | 9% | 0.094 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -77.1 | -37.6 | 178.5 | -176.8 | 59.4 | 0 | 0 | 0 | 113.1 | Q284 V286 E290 N292 I303 K305 I308 | Q284-L288 PolarHBondContact O-N 3.17Å; Q284-L288 VanDerWaalsContact O-N 3.11Å; V286-L288 VanDerWaalsContact C-N 3.25Å; V286-L288 PolarHBondContact O-N 2.89Å; L288-E290 VanDerWaalsContact C-N 3.3Å; L288-N292 VanDerWaalsContact O-CB 3.3Å; L288-N292 WeakPolarHBondContact O-CB 3.39Å; L288-N292 PolarHBondContact O-N 2.91Å; L288-I303 HydrophobicContact CD1-CB 4.14Å; L288-I303 HydrophobicContact CD1-CG2 4.43Å; L288-K305 HydrophobicContact CD2-CB 4.23Å; L288-K305 HydrophobicContact CD2-CD 4.31Å; L288-K305 HydrophobicContact CD2-CG 3.25Å; L288-I308 HydrophobicContact CD1-CD1 3.6Å; L288-I308 HydrophobicContact CD2-CD1 3.97Å; L288-I308 HydrophobicContact CG-CD1 4.35Å |
| 289 | K | 76.1 | Confident | 65.5 | Low | 161 Ų | 161 | 103.2 Ų | 103.2 | 70% | 0.7 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -44.4 | 173.9 | -79.3 | 178.1 | 176.2 | -171.6 | 0 | 110.8 | D285 V286 N292 K293 | D285-K289 WeakPolarHBondContact O-CB 3.38Å; D285-K289 VanDerWaalsContact O-CG 3.29Å; D285-K289 WeakPolarHBondContact O-CG 3.39Å; D285-K289 PolarHBondContact O-N 2.78Å; V286-K289 PolarHBondContact O-N 3.2Å; V286-K289 VanDerWaalsContact O-N 3.15Å; K289-N292 PolarHBondContact O-N 2.73Å; K289-K293 WeakPolarHBondContact O-CB 3.23Å; K289-K293 PolarHBondContact O-N 3.03Å |
| 290 | E | 75.6 | Confident | 67.6 | Low | 119 Ų | 119 | 100.2 Ų | 100.2 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.4 | -46.4 | 179.1 | -161.7 | 155.2 | -139.5 | 0 | 0 | 111.4 | V286 L288 N292 K293 I294 | V286-E290 WeakPolarHBondContact O-CB 3.38Å; V286-E290 PolarHBondContact O-N 3.16Å; L288-E290 VanDerWaalsContact C-N 3.3Å; E290-N292 VanDerWaalsContact C-N 3.32Å; E290-N292 PolarHBondContact O-N 2.72Å; E290-K293 WeakPolarHBondContact O-CB 3.46Å; E290-K293 PolarHBondContact O-N 3.07Å; E290-I294 WeakPolarHBondContact O-CG1 3.48Å; E290-I294 PolarHBondContact O-N 2.88Å; E290-I294 VanDerWaalsContact O-N 3.07Å |
| 291 | T | 76.2 | Confident | 69.6 | Low | 62 Ų | 62 | 98.5 Ų | 98.5 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 172.6 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | T287 R295 I303 | T287-T291 VanDerWaalsContact O-CB 3.29Å; T287-T291 WeakPolarHBondContact O-CB 3.16Å; T287-T291 PolarHBondContact O-N 3.16Å; T287-T291 PolarHBondContact O-OG1 3.13Å; T291-R295 VanDerWaalsContact O-CG 3.29Å; T291-R295 WeakPolarHBondContact O-CG 3.33Å; T291-R295 PolarHBondContact O-N 3.13Å; T291-I303 HydrophobicContact CG2-CD1 4.11Å |
| 292 | N | 83.7 | Confident | 71.4 | Confident | 29 Ų | 29 | 98.9 Ų | 98.9 | 16% | 0.155 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -73.7 | -30.2 | 179.9 | -77.7 | -11.9 | 0 | 0 | 0 | 113.1 | L288 K289 E290 R295 Q296 P302 I303 | L288-N292 VanDerWaalsContact O-CB 3.3Å; L288-N292 WeakPolarHBondContact O-CB 3.39Å; L288-N292 PolarHBondContact O-N 2.91Å; K289-N292 PolarHBondContact O-N 2.73Å; E290-N292 VanDerWaalsContact C-N 3.32Å; E290-N292 PolarHBondContact O-N 2.72Å; N292-R295 PolarHBondContact O-N 2.98Å; N292-Q296 WeakPolarHBondContact O-CG 3.3Å; N292-Q296 PolarHBondContact O-N 3.15Å; N292-Q296 VanDerWaalsContact O-N 3.07Å; N292-P302 HydrophobicContact CB-CB 4.19Å; N292-I303 PolarHBondContact ND2-O 2.91Å; N292-I303 PolarHBondContact OD1-N 3.37Å |
| 293 | K | 86.6 | Confident | 73.3 | Confident | 121 Ų | 121 | 93.2 Ų | 93.2 | 53% | 0.526 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -51.2 | 171 | -178.3 | 178.2 | -177.3 | -77.2 | 0 | 110.6 | K289 E290 R295 Q296 E297 | K289-K293 WeakPolarHBondContact O-CB 3.23Å; K289-K293 PolarHBondContact O-N 3.03Å; E290-K293 WeakPolarHBondContact O-CB 3.46Å; E290-K293 PolarHBondContact O-N 3.07Å; K293-R295 VanDerWaalsContact C-N 3.31Å; K293-R295 PolarHBondContact O-N 2.93Å; K293-Q296 PolarHBondContact O-N 2.88Å; K293-Q296 VanDerWaalsContact O-N 3.09Å; K293-E297 WeakPolarHBondContact CE-OE1 3.48Å; K293-E297 IonicContact NZ-OE1 3.75Å; K293-E297 PolarHBondContact NZ-OE1 3.48Å; K293-E297 WeakPolarHBondContact O-CG 3.48Å; K293-E297 PolarHBondContact O-N 3.03Å |
| 294 | I | 78.7 | Confident | 74.7 | Confident | 89 Ų | 89 | 91.4 Ų | 91.4 | 46% | 0.456 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 176.5 | -63.8 | 163.5 | 0 | 0 | 0 | 110.4 | E290 Q296 E297 Y298 | E290-I294 WeakPolarHBondContact O-CG1 3.48Å; E290-I294 PolarHBondContact O-N 2.88Å; E290-I294 VanDerWaalsContact O-N 3.07Å; I294-Q296 VanDerWaalsContact C-N 3.3Å; I294-Q296 PolarHBondContact O-N 3.18Å; I294-E297 PolarHBondContact O-N 2.89Å; I294-E297 VanDerWaalsContact O-N 3.15Å; I294-Y298 HydrophobicContact CG2-CD2 4.15Å; I294-Y298 HydrophobicContact CG2-CE2 4.3Å; I294-Y298 WeakPolarHBondContact O-CD2 3.41Å; I294-Y298 PolarHBondContact O-N 3.21Å; I294-Y298 VanDerWaalsContact O-N 3.14Å |
| 295 | R | 82.8 | Confident | 75.5 | Confident | 74 Ų | 74 | 91.4 Ų | 91.4 | 28% | 0.279 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.4 | -37.8 | 177.6 | -71.7 | 175.3 | 73.9 | 83 | 2.9 | 113.1 | T291 N292 K293 Y298 G299 L300 K301 | T291-R295 VanDerWaalsContact O-CG 3.29Å; T291-R295 WeakPolarHBondContact O-CG 3.33Å; T291-R295 PolarHBondContact O-N 3.13Å; N292-R295 PolarHBondContact O-N 2.98Å; K293-R295 VanDerWaalsContact C-N 3.31Å; K293-R295 PolarHBondContact O-N 2.93Å; R295-Y298 CarbonylContact O-C 3.45Å; R295-Y298 PolarHBondContact O-N 3.4Å; R295-G299 PolarHBondContact O-N 3.07Å; R295-L300 CarbonylContact C-O 3.44Å; R295-L300 HydrophobicContact CB-CB 4.03Å; R295-L300 HydrophobicContact CG-CB 4.39Å; R295-L300 WeakPolarHBondContact O-CA 3.49Å; R295-L300 WeakPolarHBondContact O-CB 3.29Å; R295-L300 PolarHBondContact O-N 3.32Å; R295-K301 PolarHBondContact NE-O 2.77Å; R295-K301 PolarHBondContact NH2-O 2.88Å |
| 296 | Q | 85.6 | Confident | 76.1 | Confident | 132 Ų | 132 | 95.5 Ų | 95.5 | 62% | 0.617 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -70.1 | -35 | 176.1 | -72.4 | 174.5 | -42.8 | 0 | 0 | 112.7 | N292 K293 I294 Y298 G299 | N292-Q296 WeakPolarHBondContact O-CG 3.3Å; N292-Q296 PolarHBondContact O-N 3.15Å; N292-Q296 VanDerWaalsContact O-N 3.07Å; K293-Q296 PolarHBondContact O-N 2.88Å; K293-Q296 VanDerWaalsContact O-N 3.09Å; I294-Q296 VanDerWaalsContact C-N 3.3Å; I294-Q296 PolarHBondContact O-N 3.18Å; Q296-Y298 PolarHBondContact O-N 3.33Å; Q296-G299 PolarHBondContact O-N 3.43Å |
| 297 | E | 85.7 | Confident | 76.3 | Confident | 115 Ų | 115 | 100.2 Ų | 100.2 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -28.5 | 174.6 | -71.8 | 166.2 | 176.2 | 0 | 0 | 112.3 | K293 I294 | K293-E297 WeakPolarHBondContact CE-OE1 3.48Å; K293-E297 IonicContact NZ-OE1 3.75Å; K293-E297 PolarHBondContact NZ-OE1 3.48Å; K293-E297 WeakPolarHBondContact O-CG 3.48Å; K293-E297 PolarHBondContact O-N 3.03Å; I294-E297 PolarHBondContact O-N 2.89Å; I294-E297 VanDerWaalsContact O-N 3.15Å |
| 298 | Y | 79.9 | Confident | 75.5 | Confident | 133 Ų | 133 | 100.1 Ų | 100.1 | 52% | 0.522 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 28.6 | 176.3 | -71 | -100.6 | 0 | 0 | 0 | 113.2 | I294 R295 Q296 L300 | I294-Y298 HydrophobicContact CG2-CD2 4.15Å; I294-Y298 HydrophobicContact CG2-CE2 4.3Å; I294-Y298 WeakPolarHBondContact O-CD2 3.41Å; I294-Y298 PolarHBondContact O-N 3.21Å; I294-Y298 VanDerWaalsContact O-N 3.14Å; R295-Y298 CarbonylContact O-C 3.45Å; R295-Y298 PolarHBondContact O-N 3.4Å; Q296-Y298 PolarHBondContact O-N 3.33Å; Y298-L300 PolarHBondContact O-N 3.39Å |
| 299 | G | 79.3 | Confident | 73.9 | Confident | 75 Ų | 75 | 103.3 Ų | 103.3 | 77% | 0.773 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | -1.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | R295 Q296 | R295-G299 PolarHBondContact O-N 3.07Å; Q296-G299 PolarHBondContact O-N 3.43Å |
| 300 | L | 77.4 | Confident | 72.3 | Confident | 68 Ų | 68 | 97.2 Ų | 97.2 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 140 | -174.1 | -69 | 168 | 0 | 0 | 0 | 113 | R295 Y298 | R295-L300 CarbonylContact C-O 3.44Å; R295-L300 HydrophobicContact CB-CB 4.03Å; R295-L300 HydrophobicContact CG-CB 4.39Å; R295-L300 WeakPolarHBondContact O-CA 3.49Å; R295-L300 WeakPolarHBondContact O-CB 3.29Å; R295-L300 PolarHBondContact O-N 3.32Å; Y298-L300 PolarHBondContact O-N 3.39Å |
| 301 | K | 82.1 | Confident | 70.5 | Confident | 182 Ų | 182 | 97.3 Ų | 97.3 | 79% | 0.791 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 133.3 | 175.8 | -68.7 | 175.6 | -178.2 | 169.3 | 0 | 111.3 | R295 | R295-K301 PolarHBondContact NE-O 2.77Å; R295-K301 PolarHBondContact NH2-O 2.88Å |
| 302 | P | 80.3 | Confident | 68.7 | Low | 74 Ų | 74 | 97 Ų | 97 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 149 | -176.7 | 26.6 | -34.6 | 0 | 0 | 0 | 112.8 | N292 | N292-P302 HydrophobicContact CB-CB 4.19Š|
| 303 | I | 76.8 | Confident | 66.7 | Low | 54 Ų | 54 | 101.8 Ų | 101.8 | 28% | 0.277 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 125.1 | -179 | -55.9 | 174.3 | 0 | 0 | 0 | 109.7 | L288 T291 N292 I308 | L288-I303 HydrophobicContact CD1-CB 4.14Å; L288-I303 HydrophobicContact CD1-CG2 4.43Å; T291-I303 HydrophobicContact CG2-CD1 4.11Å; N292-I303 PolarHBondContact ND2-O 2.91Å; N292-I303 PolarHBondContact OD1-N 3.37Å; I303-I308 HydrophobicContact CG2-CD1 3.82Å; I303-I308 HydrophobicContact CG2-CG1 3.58Å |
| 304 | N | 70.2 | Confident | 64.2 | Low | 91 Ų | 91 | 106.2 Ų | 106.2 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 132.4 | 172.7 | -173.1 | -35.1 | 0 | 0 | 0 | 110.3 | N306 K307 | N304-N306 PolarHBondContact O-N 3.43Å; N304-N306 PolarHBondContact OD1-N 3.27Å; N304-K307 PolarHBondContact O-N 3.43Å |
| 305 | K | 63.9 | Low | 62.3 | Low | 111 Ų | 111 | 108.6 Ų | 108.6 | 48% | 0.483 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -43.2 | -35.9 | 174.9 | -74.4 | -174.9 | -176.1 | -163.6 | 0 | 113.2 | D285 L288 K307 I308 | D285-K305 VanDerWaalsContact OD1-CE 3.31Å; D285-K305 WeakPolarHBondContact OD1-CE 3.44Å; D285-K305 IonicContact OD1-NZ 2.96Å; D285-K305 PolarHBondContact OD1-NZ 3.17Å; D285-K305 IonicContact OD2-NZ 3Å; D285-K305 PolarHBondContact OD2-NZ 2.9Å; L288-K305 HydrophobicContact CD2-CB 4.23Å; L288-K305 HydrophobicContact CD2-CD 4.31Å; L288-K305 HydrophobicContact CD2-CG 3.25Å; K305-K307 PolarHBondContact O-N 2.66Å; K305-I308 PolarHBondContact O-N 2.92Å |
| 306 | N | 62.8 | Low | 60.3 | Low | 143 Ų | 143 | 110.9 Ų | 110.9 | 77% | 0.765 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -78.2 | -16.1 | -174.2 | -61.7 | -8.3 | 0 | 0 | 0 | 114 | N304 | N304-N306 PolarHBondContact O-N 3.43Å; N304-N306 PolarHBondContact OD1-N 3.27Å |
| 307 | K | 55.5 | Low | 57.9 | Low | 182 Ų | 182 | 109.9 Ų | 109.9 | 79% | 0.791 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -91.8 | -9.4 | 175.7 | -69.4 | -167.4 | 175.2 | -172 | 0 | 113.5 | N304 K305 S309 | N304-K307 PolarHBondContact O-N 3.43Å; K305-K307 PolarHBondContact O-N 2.66Å; K307-S309 PolarHBondContact O-N 3.45Å; K307-S309 VanDerWaalsContact O-N 3.07Å |
| 308 | I | 52.1 | Low | 55.6 | Low | 69 Ų | 69 | 110.8 Ų | 110.8 | 35% | 0.354 | 59% | 0.585 | S | S | . | * | trans | -81.1 | 92 | 177.6 | -54 | 173.7 | 0 | 0 | 0 | 108.5 | L288 I303 K305 S310 | L288-I308 HydrophobicContact CD1-CD1 3.6Å; L288-I308 HydrophobicContact CD2-CD1 3.97Å; L288-I308 HydrophobicContact CG-CD1 4.35Å; I303-I308 HydrophobicContact CG2-CD1 3.82Å; I303-I308 HydrophobicContact CG2-CG1 3.58Å; K305-I308 PolarHBondContact O-N 2.92Å; I308-S310 PolarHBondContact O-N 2.93Å | ||
| 309 | S | 41.4 | Very low | 53.5 | Low | 85 Ų | 85 | 110.7 Ų | 110.7 | 59% | 0.594 | 59% | 0.593 | S | S | * | * | trans | -65.8 | 95.6 | 170.3 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | K307 | K307-S309 PolarHBondContact O-N 3.45Å; K307-S309 VanDerWaalsContact O-N 3.07Å | ||
| 310 | S | 41.1 | Very low | 51.6 | Low | 33 Ų | 33 | 114.6 Ų | 114.6 | 23% | 0.231 | 59% | 0.592 | C | S | . | * | trans | -58.3 | 131.4 | 173.8 | -40 | 0 | 0 | 0 | 0 | 108.7 | I308 A312 K313 | I308-S310 PolarHBondContact O-N 2.93Å; S310-A312 PolarHBondContact O-N 2.86Å; S310-K313 PolarHBondContact O-N 2.66Å | ||
| 311 | P | 38.2 | Very low | 49.9 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 79% | 0.792 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -52.5 | -31.4 | 178.2 | -29.3 | 35.6 | 0 | 0 | 0 | 113.1 | K313 | P311-K313 VanDerWaalsContact C-N 3.34Å; P311-K313 PolarHBondContact O-N 2.85Å |
| 312 | A | 38.4 | Very low | 47.7 | Very low | 55 Ų | 55 | 118.3 Ų | 118.3 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -68.2 | -18 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | S310 Q316 | S310-A312 PolarHBondContact O-N 2.86Å; A312-Q316 WeakPolarHBondContact O-CG 3.37Å |
| 313 | K | 41.5 | Very low | 45.7 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 57% | 0.565 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -74.8 | -27.4 | 179.3 | -80.2 | -174.8 | 176.2 | 180 | 0 | 112.8 | S310 P311 L315 Q316 | S310-K313 PolarHBondContact O-N 2.66Å; P311-K313 VanDerWaalsContact C-N 3.34Å; P311-K313 PolarHBondContact O-N 2.85Å; K313-L315 PolarHBondContact O-N 3.27Å; K313-Q316 PolarHBondContact O-N 2.76Å |
| 314 | R | 35.1 | Very low | 44 | Very low | 214 Ų | 214 | 124.5 Ų | 124.5 | 81% | 0.808 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -71.8 | -4.6 | 178.2 | -155.7 | 179.3 | -75.1 | -172.8 | -2.4 | 113.3 | ||
| 315 | L | 37.7 | Very low | 43 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 72% | 0.723 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -112.9 | 8.7 | -179.7 | -70.6 | 166.3 | 0 | 0 | 0 | 113.7 | K313 | K313-L315 PolarHBondContact O-N 3.27Š|
| 316 | Q | 40.5 | Very low | 41.8 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 58% | 0.575 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -111.5 | 6.5 | -171.9 | -71.2 | -177.9 | 11.9 | 0 | 0 | 115.2 | A312 K313 | A312-Q316 WeakPolarHBondContact O-CG 3.37Å; K313-Q316 PolarHBondContact O-N 2.76Å |
| 317 | S | 35.4 | Very low | 41 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 64% | 0.644 | S | S | * | * | trans | -108.2 | 26.2 | 177.6 | 62 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 318 | I | 37.4 | Very low | 40.8 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -107.7 | 132.8 | 166.8 | -60.7 | 175 | 0 | 0 | 0 | 107 | Q320 | I318-Q320 PolarHBondContact O-N 2.86Š|
| 319 | D | 36.6 | Very low | 41 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | trans | -41.5 | 118.1 | -164.2 | -88 | -64.4 | 0 | 0 | 0 | 116.1 | K321 | D319-K321 PolarHBondContact O-N 3.23Š| ||
| 320 | Q | 38.6 | Very low | 42 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 23 | 178.1 | -67 | -176.6 | -5.1 | 0 | 0 | 114.1 | I318 | I318-Q320 PolarHBondContact O-N 2.86Š|
| 321 | K | 41.7 | Very low | 43.2 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 80% | 0.796 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -9 | -178.3 | -75.1 | -176.1 | 175.6 | 176.7 | 0 | 115.5 | D319 | D319-K321 PolarHBondContact O-N 3.23Š|
| 322 | N | 37.5 | Very low | 44.9 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -122.9 | 9.6 | -178.3 | -83.7 | -25.9 | 0 | 0 | 0 | 116 | N324 | N322-N324 VanDerWaalsContact C-N 3.25Å; N322-N324 PolarHBondContact O-N 3.38Å |
| 323 | I | 37.4 | Very low | 46.6 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | trans | -84.1 | 61.1 | -174.9 | -44.8 | -178 | 0 | 0 | 0 | 112.2 | ||||
| 324 | N | 41.8 | Very low | 48.1 | Very low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -108.5 | 120.8 | 170.8 | -79.3 | -31.9 | 0 | 0 | 0 | 110.4 | N322 F326 | N322-N324 VanDerWaalsContact C-N 3.25Å; N322-N324 PolarHBondContact O-N 3.38Å; N324-F326 PolarHBondContact O-N 3.04Å |
| 325 | K | 48.2 | Very low | 50 | Low | 199 Ų | 199 | 130.8 Ų | 130.8 | 87% | 0.865 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 57.4 | -47.6 | -176.1 | -89.3 | -179.9 | 172.6 | 179.2 | 0 | 117.6 | G327 K328 | K325-G327 PolarHBondContact O-N 3.11Å; K325-K328 PolarHBondContact O-N 3.13Å |
| 326 | F | 39.4 | Very low | 51.8 | Low | 158 Ų | 158 | 131 Ų | 131 | 69% | 0.693 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.8 | -40.5 | -170.1 | -109.9 | -93.1 | 0 | 0 | 0 | 114.4 | N324 K328 K329 N330 | N324-F326 PolarHBondContact O-N 3.04Å; F326-K328 PolarHBondContact O-N 3.02Å; F326-K328 VanDerWaalsContact O-N 3.13Å; F326-K329 PolarHBondContact O-N 3.49Å; F326-K329 VanDerWaalsContact O-N 3.13Å; F326-N330 PolarHBondContact O-N 3.12Å |
| 327 | G | 45.6 | Very low | 53.3 | Low | 24 Ų | 24 | 129.3 Ų | 129.3 | 25% | 0.247 | 64% | 0.637 | C | S | . | * | H | α-helix | trans | -62.2 | -22.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K325 N331 | K325-G327 PolarHBondContact O-N 3.11Å; G327-N331 PolarHBondContact O-N 3.3Å; G327-N331 PolarHBondContact O-ND2 3.46Å |
| 328 | K | 52.2 | Low | 55.2 | Low | 174 Ų | 174 | 127 Ų | 127 | 76% | 0.757 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.1 | -45.8 | 173.5 | -78.5 | -169.9 | 175.3 | -174.1 | 0 | 111.8 | K325 F326 N330 N331 E332 | K325-K328 PolarHBondContact O-N 3.13Å; F326-K328 PolarHBondContact O-N 3.02Å; F326-K328 VanDerWaalsContact O-N 3.13Å; K328-N330 VanDerWaalsContact C-N 3.34Å; K328-N330 PolarHBondContact O-N 3Å; K328-N331 PolarHBondContact O-N 3.06Å; K328-E332 WeakPolarHBondContact O-CB 3.24Å; K328-E332 PolarHBondContact O-N 3Å |
| 329 | K | 56.1 | Low | 57.1 | Low | 149 Ų | 149 | 124.7 Ų | 124.7 | 65% | 0.648 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.6 | -41.3 | 178.5 | -75.6 | -167.6 | 171.5 | -169.9 | 0 | 111.8 | F326 E332 K333 | F326-K329 PolarHBondContact O-N 3.49Å; F326-K329 VanDerWaalsContact O-N 3.13Å; K329-E332 PolarHBondContact O-N 3.02Å; K329-K333 WeakPolarHBondContact O-CB 3.33Å; K329-K333 PolarHBondContact O-N 3.41Å |
| 330 | N | 61.2 | Low | 58.9 | Low | 94 Ų | 94 | 121.5 Ų | 121.5 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.1 | -44.8 | 177.9 | -76.3 | 8.3 | 0 | 0 | 0 | 112 | F326 K328 E332 K333 I334 | F326-N330 PolarHBondContact O-N 3.12Å; K328-N330 VanDerWaalsContact C-N 3.34Å; K328-N330 PolarHBondContact O-N 3Å; N330-E332 VanDerWaalsContact C-N 3.32Å; N330-E332 PolarHBondContact O-N 3.11Å; N330-K333 PolarHBondContact O-N 3.43Å; N330-I334 WeakPolarHBondContact O-CD1 3.48Å; N330-I334 VanDerWaalsContact O-CG1 3.24Å; N330-I334 WeakPolarHBondContact O-CG1 3.44Å; N330-I334 PolarHBondContact O-N 2.92Å |
| 331 | N | 66.6 | Low | 60.6 | Low | 105 Ų | 105 | 122.5 Ų | 122.5 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.4 | -39.7 | 175.7 | -73.3 | -13.5 | 0 | 0 | 0 | 112 | G327 K328 I334 V335 | G327-N331 PolarHBondContact O-N 3.3Å; G327-N331 PolarHBondContact O-ND2 3.46Å; K328-N331 PolarHBondContact O-N 3.06Å; N331-I334 PolarHBondContact O-N 3.23Å; N331-V335 WeakPolarHBondContact O-CB 3.4Å; N331-V335 VanDerWaalsContact O-CG2 3.28Å; N331-V335 WeakPolarHBondContact O-CG2 3.49Å; N331-V335 PolarHBondContact O-N 3.35Å |
| 332 | E | 74.4 | Confident | 62.3 | Low | 138 Ų | 138 | 119 Ų | 119 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.5 | -44 | 174.9 | -172.5 | 177 | 175.4 | 0 | 0 | 112 | K328 K329 N330 V335 R336 | K328-E332 WeakPolarHBondContact O-CB 3.24Å; K328-E332 PolarHBondContact O-N 3Å; K329-E332 PolarHBondContact O-N 3.02Å; N330-E332 VanDerWaalsContact C-N 3.32Å; N330-E332 PolarHBondContact O-N 3.11Å; E332-V335 PolarHBondContact O-N 2.96Å; E332-R336 WeakPolarHBondContact O-CB 3.4Å; E332-R336 PolarHBondContact O-N 2.79Å |
| 333 | K | 73.4 | Confident | 64.1 | Low | 140 Ų | 140 | 115.6 Ų | 115.6 | 61% | 0.609 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.9 | -43.7 | 174.4 | -171.2 | 176.5 | -179.9 | -178.9 | 0 | 111.9 | K329 N330 R336 N337 | K329-K333 WeakPolarHBondContact O-CB 3.33Å; K329-K333 PolarHBondContact O-N 3.41Å; N330-K333 PolarHBondContact O-N 3.43Å; K333-R336 PolarHBondContact O-N 3.02Å; K333-N337 VanDerWaalsContact O-CB 3.3Å; K333-N337 WeakPolarHBondContact O-CB 3.37Å; K333-N337 PolarHBondContact O-N 2.83Å; K333-N337 PolarHBondContact O-OD1 3.24Å |
| 334 | I | 74.3 | Confident | 65.9 | Low | 102 Ų | 102 | 118.3 Ų | 118.3 | 52% | 0.523 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.5 | -46.4 | 176.6 | -67.7 | 162.6 | 0 | 0 | 0 | 110.6 | N330 N331 N337 S338 | N330-I334 WeakPolarHBondContact O-CD1 3.48Å; N330-I334 VanDerWaalsContact O-CG1 3.24Å; N330-I334 WeakPolarHBondContact O-CG1 3.44Å; N330-I334 PolarHBondContact O-N 2.92Å; N331-I334 PolarHBondContact O-N 3.23Å; I334-N337 PolarHBondContact O-N 3.16Å; I334-S338 WeakPolarHBondContact O-CB 3.47Å; I334-S338 PolarHBondContact O-N 3.38Å; I334-S338 PolarHBondContact O-OG 3.33Å |
| 335 | V | 74.6 | Confident | 67.5 | Low | 84 Ų | 84 | 114.8 Ų | 114.8 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.9 | -44.3 | 178.4 | 169.6 | 0 | 0 | 0 | 0 | 111 | N331 E332 S338 I339 | N331-V335 WeakPolarHBondContact O-CB 3.4Å; N331-V335 VanDerWaalsContact O-CG2 3.28Å; N331-V335 WeakPolarHBondContact O-CG2 3.49Å; N331-V335 PolarHBondContact O-N 3.35Å; E332-V335 PolarHBondContact O-N 2.96Å; V335-S338 WeakPolarHBondContact O-CB 3.28Å; V335-S338 PolarHBondContact O-N 2.91Å; V335-I339 HydrophobicContact CG1-CD1 3.7Å; V335-I339 HydrophobicContact CG1-CG1 4.39Å; V335-I339 VanDerWaalsContact O-CG1 3.28Å; V335-I339 WeakPolarHBondContact O-CG1 3.41Å; V335-I339 PolarHBondContact O-N 2.83Å |
| 336 | R | 75 | Confident | 68.8 | Low | 143 Ų | 143 | 107.7 Ų | 107.7 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 175.4 | -179.1 | 179.2 | 176.1 | 110.8 | -2.8 | 111.6 | E332 K333 S338 I339 I340 | E332-R336 WeakPolarHBondContact O-CB 3.4Å; E332-R336 PolarHBondContact O-N 2.79Å; K333-R336 PolarHBondContact O-N 3.02Å; R336-S338 VanDerWaalsContact C-N 3.31Å; R336-S338 PolarHBondContact O-N 3.28Å; R336-I339 PolarHBondContact O-N 3.45Å; R336-I340 HydrophobicContact CG-CD1 3.85Å; R336-I340 VanDerWaalsContact O-CG1 3.29Å; R336-I340 WeakPolarHBondContact O-CG1 3.45Å; R336-I340 PolarHBondContact O-N 3.13Å |
| 337 | N | 72.8 | Confident | 70.7 | Confident | 86 Ų | 86 | 102.5 Ų | 102.5 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 178 | -73.7 | 9.2 | 0 | 0 | 0 | 111.5 | K333 I334 I340 R341 | K333-N337 VanDerWaalsContact O-CB 3.3Å; K333-N337 WeakPolarHBondContact O-CB 3.37Å; K333-N337 PolarHBondContact O-N 2.83Å; K333-N337 PolarHBondContact O-OD1 3.24Å; I334-N337 PolarHBondContact O-N 3.16Å; N337-I340 PolarHBondContact O-N 3.48Å; N337-R341 WeakPolarHBondContact O-CB 3.45Å; N337-R341 PolarHBondContact O-N 3.16Å |
| 338 | S | 74.5 | Confident | 72.2 | Confident | 61 Ų | 61 | 110.1 Ų | 110.1 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 175.4 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | I334 V335 R336 R341 L342 | I334-S338 WeakPolarHBondContact O-CB 3.47Å; I334-S338 PolarHBondContact O-N 3.38Å; I334-S338 PolarHBondContact O-OG 3.33Å; V335-S338 WeakPolarHBondContact O-CB 3.28Å; V335-S338 PolarHBondContact O-N 2.91Å; R336-S338 VanDerWaalsContact C-N 3.31Å; R336-S338 PolarHBondContact O-N 3.28Å; S338-R341 PolarHBondContact O-N 2.77Å; S338-L342 WeakPolarHBondContact O-CG 3.45Å; S338-L342 PolarHBondContact O-N 3.2Å |
| 339 | I | 77.3 | Confident | 73.3 | Confident | 87 Ų | 87 | 105.2 Ų | 105.2 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 174.7 | -69.4 | 165.3 | 0 | 0 | 0 | 110.4 | V335 R336 R341 L342 L343 | V335-I339 HydrophobicContact CG1-CD1 3.7Å; V335-I339 HydrophobicContact CG1-CG1 4.39Å; V335-I339 VanDerWaalsContact O-CG1 3.28Å; V335-I339 WeakPolarHBondContact O-CG1 3.41Å; V335-I339 PolarHBondContact O-N 2.83Å; R336-I339 PolarHBondContact O-N 3.45Å; I339-R341 VanDerWaalsContact C-N 3.3Å; I339-R341 PolarHBondContact O-N 3.29Å; I339-L342 PolarHBondContact O-N 3.19Å; I339-L343 HydrophobicContact CG2-CD1 3.73Å; I339-L343 HydrophobicContact CG2-CG 4.17Å; I339-L343 VanDerWaalsContact O-CG 3.28Å; I339-L343 WeakPolarHBondContact O-CG 3.38Å; I339-L343 PolarHBondContact O-N 3.11Å |
| 340 | I | 74.7 | Confident | 74.3 | Confident | 64 Ų | 64 | 99.1 Ų | 99.1 | 33% | 0.328 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.5 | -41 | 177 | -69.6 | 166.7 | 0 | 0 | 0 | 111.2 | R336 N337 L342 L343 K344 | R336-I340 HydrophobicContact CG-CD1 3.85Å; R336-I340 VanDerWaalsContact O-CG1 3.29Å; R336-I340 WeakPolarHBondContact O-CG1 3.45Å; R336-I340 PolarHBondContact O-N 3.13Å; N337-I340 PolarHBondContact O-N 3.48Å; I340-L342 VanDerWaalsContact C-N 3.35Å; I340-L343 PolarHBondContact O-N 3.13Å; I340-K344 HydrophobicContact CG2-CD 4.34Å; I340-K344 WeakPolarHBondContact O-CG 3.45Å; I340-K344 PolarHBondContact O-N 3.43Å |
| 341 | R | 74 | Confident | 75.1 | Confident | 178 Ų | 178 | 97.5 Ų | 97.5 | 67% | 0.672 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.5 | -37.5 | 177.7 | -163.3 | 170 | -171.3 | 145.4 | 0.6 | 111.9 | N337 S338 I339 T345 | N337-R341 WeakPolarHBondContact O-CB 3.45Å; N337-R341 PolarHBondContact O-N 3.16Å; S338-R341 PolarHBondContact O-N 2.77Å; I339-R341 VanDerWaalsContact C-N 3.3Å; I339-R341 PolarHBondContact O-N 3.29Å; R341-T345 PolarHBondContact O-OG1 3.32Å |
| 342 | L | 76.5 | Confident | 75.8 | Confident | 110 Ų | 110 | 96.2 Ų | 96.2 | 58% | 0.576 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.2 | -47.7 | 172.5 | -70.5 | 166.6 | 0 | 0 | 0 | 111.8 | S338 I339 I340 K344 T345 L346 | S338-L342 WeakPolarHBondContact O-CG 3.45Å; S338-L342 PolarHBondContact O-N 3.2Å; I339-L342 PolarHBondContact O-N 3.19Å; I340-L342 VanDerWaalsContact C-N 3.35Å; L342-K344 VanDerWaalsContact C-N 3.29Å; L342-K344 PolarHBondContact O-N 3.26Å; L342-T345 PolarHBondContact O-N 3.34Å; L342-T345 PolarHBondContact O-OG1 3.34Å; L342-L346 WeakPolarHBondContact O-CD1 3.36Å; L342-L346 WeakPolarHBondContact O-CG 3.45Å; L342-L346 PolarHBondContact O-N 3.38Å |
| 343 | L | 75.8 | Confident | 76.1 | Confident | 74 Ų | 74 | 95.2 Ų | 95.2 | 39% | 0.387 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.7 | -40.6 | 177.5 | -69.1 | 171.5 | 0 | 0 | 0 | 112.2 | I339 I340 T345 L346 L351 | I339-L343 HydrophobicContact CG2-CD1 3.73Å; I339-L343 HydrophobicContact CG2-CG 4.17Å; I339-L343 VanDerWaalsContact O-CG 3.28Å; I339-L343 WeakPolarHBondContact O-CG 3.38Å; I339-L343 PolarHBondContact O-N 3.11Å; I340-L343 PolarHBondContact O-N 3.13Å; L343-T345 PolarHBondContact O-N 3.04Å; L343-L346 HydrophobicContact CD2-CD1 4.44Å; L343-L346 PolarHBondContact O-N 2.99Å; L343-L351 HydrophobicContact CD2-CD1 3.48Å; L343-L351 VanDerWaalsContact CD2-CD1 3.48Å |
| 344 | K | 74.7 | Confident | 76.3 | Confident | 173 Ų | 173 | 92.2 Ų | 92.2 | 75% | 0.752 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.2 | 174.3 | -74.9 | -177.9 | 176.7 | -172.1 | 0 | 114.9 | I340 L342 | I340-K344 HydrophobicContact CG2-CD 4.34Å; I340-K344 WeakPolarHBondContact O-CG 3.45Å; I340-K344 PolarHBondContact O-N 3.43Å; L342-K344 VanDerWaalsContact C-N 3.29Å; L342-K344 PolarHBondContact O-N 3.26Å |
| 345 | T | 76.5 | Confident | 76.6 | Confident | 67 Ų | 67 | 91.1 Ų | 91.1 | 41% | 0.411 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 0 | -179.3 | 55.4 | 0 | 0 | 0 | 0 | 114.5 | R341 L342 L343 | R341-T345 PolarHBondContact O-OG1 3.32Å; L342-T345 PolarHBondContact O-N 3.34Å; L342-T345 PolarHBondContact O-OG1 3.34Å; L343-T345 PolarHBondContact O-N 3.04Å |
| 346 | L | 75.8 | Confident | 76.9 | Confident | 51 Ų | 51 | 90.6 Ų | 90.6 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | trans | -97.4 | 138.7 | -177.3 | -70.3 | 156.9 | 0 | 0 | 0 | 110.4 | L342 L343 I354 | L342-L346 WeakPolarHBondContact O-CD1 3.36Å; L342-L346 WeakPolarHBondContact O-CG 3.45Å; L342-L346 PolarHBondContact O-N 3.38Å; L343-L346 HydrophobicContact CD2-CD1 4.44Å; L343-L346 PolarHBondContact O-N 2.99Å; L346-I354 HydrophobicContact CD1-CD1 3.38Å; L346-I354 HydrophobicContact CD2-CD1 3.82Å; L346-I354 HydrophobicContact CG-CD1 4.26Å | ||
| 347 | N | 78.8 | Confident | 77.1 | Confident | 49 Ų | 49 | 86.5 Ų | 86.5 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | trans | -71.9 | 166.1 | 167.7 | 71.5 | -17 | 0 | 0 | 0 | 110.4 | E349 S350 L351 | N347-E349 VanDerWaalsContact C-N 3.3Å; N347-E349 PolarHBondContact O-N 3.07Å; N347-S350 PolarHBondContact O-N 2.9Å; N347-S350 VanDerWaalsContact O-N 3.11Å; N347-S350 WeakPolarHBondContact OD1-CB 3.43Å; N347-S350 PolarHBondContact OD1-N 2.9Å; N347-S350 PolarHBondContact OD1-OG 3.43Å; N347-L351 PolarHBondContact O-N 3.34Å | ||
| 348 | Y | 76.9 | Confident | 77.4 | Confident | 183 Ų | 183 | 84.5 Ų | 84.5 | 72% | 0.718 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -48.6 | -49.7 | -177.8 | 177.5 | -92.1 | 0 | 0 | 0 | 112.4 | S350 L351 E352 | Y348-S350 PolarHBondContact O-N 3.37Å; Y348-L351 WeakPolarHBondContact O-CB 3.43Å; Y348-L351 PolarHBondContact O-N 2.82Å; Y348-E352 PolarHBondContact O-N 2.97Å |
| 349 | E | 76 | Confident | 77.6 | Confident | 71 Ų | 71 | 86.1 Ų | 86.1 | 33% | 0.332 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68 | -36.9 | -179.1 | -57.6 | 175.9 | -171.4 | 0 | 0 | 114.1 | D220 N347 L351 E352 R353 | D220-E349 VanDerWaalsContact CG-OE2 3.22Å; N347-E349 VanDerWaalsContact C-N 3.3Å; N347-E349 PolarHBondContact O-N 3.07Å; E349-L351 VanDerWaalsContact C-N 3.3Å; E349-E352 PolarHBondContact O-N 2.8Å; E349-R353 WeakPolarHBondContact O-CB 3.42Å; E349-R353 WeakPolarHBondContact O-CG 3.26Å; E349-R353 PolarHBondContact O-N 2.9Å; E349-R353 IonicContact OE2-NH2 3.55Å |
| 350 | S | 75.8 | Confident | 77.6 | Confident | 21 Ų | 21 | 87.8 Ų | 87.8 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -71.4 | -32.5 | 176.7 | -59.5 | 0 | 0 | 0 | 0 | 111 | N347 Y348 R353 I354 | N347-S350 PolarHBondContact O-N 2.9Å; N347-S350 VanDerWaalsContact O-N 3.11Å; N347-S350 WeakPolarHBondContact OD1-CB 3.43Å; N347-S350 PolarHBondContact OD1-N 2.9Å; N347-S350 PolarHBondContact OD1-OG 3.43Å; Y348-S350 PolarHBondContact O-N 3.37Å; S350-R353 PolarHBondContact OG-NH1 2.99Å; S350-R353 VanDerWaalsContact OG-NH1 3.13Å; S350-R353 PolarHBondContact OG-NH2 3.38Å; S350-R353 VanDerWaalsContact OG-NH2 3.1Å; S350-I354 WeakPolarHBondContact O-CB 3.36Å; S350-I354 WeakPolarHBondContact O-CD1 3.48Å; S350-I354 VanDerWaalsContact O-CG1 3.26Å; S350-I354 WeakPolarHBondContact O-CG1 3.49Å; S350-I354 PolarHBondContact O-N 2.67Å; S350-I354 VanDerWaalsContact O-N 3.08Å |
| 351 | L | 79.7 | Confident | 77.7 | Confident | 60 Ų | 60 | 93 Ų | 93 | 31% | 0.314 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 169.1 | 178 | 62.7 | 0 | 0 | 0 | 110.6 | L343 N347 Y348 E349 I354 I355 | L343-L351 HydrophobicContact CD2-CD1 3.48Å; L343-L351 VanDerWaalsContact CD2-CD1 3.48Å; N347-L351 PolarHBondContact O-N 3.34Å; Y348-L351 WeakPolarHBondContact O-CB 3.43Å; Y348-L351 PolarHBondContact O-N 2.82Å; E349-L351 VanDerWaalsContact C-N 3.3Å; L351-I354 CarbonylContact O-C 3.57Å; L351-I354 WeakPolarHBondContact O-CB 3.47Å; L351-I354 PolarHBondContact O-N 2.79Å; L351-I354 VanDerWaalsContact O-N 3.11Å; L351-I355 HydrophobicContact CD1-CD1 4.25Å; L351-I355 HydrophobicContact CD1-CG1 4.45Å; L351-I355 HydrophobicContact CG-CD1 3.96Å; L351-I355 WeakPolarHBondContact O-CG1 3.28Å; L351-I355 PolarHBondContact O-N 3.39Å |
| 352 | E | 80.9 | Confident | 77.9 | Confident | 79 Ų | 79 | 89.8 Ų | 89.8 | 37% | 0.369 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 177 | -162.8 | -166 | 149.5 | 0 | 0 | 112 | Y348 E349 I354 I355 Q356 | Y348-E352 PolarHBondContact O-N 2.97Å; E349-E352 PolarHBondContact O-N 2.8Å; E352-I354 PolarHBondContact O-N 2.85Å; E352-I355 PolarHBondContact O-N 3.11Å; E352-I355 VanDerWaalsContact O-N 3.1Å; E352-Q356 WeakPolarHBondContact O-CG 3.41Å; E352-Q356 PolarHBondContact O-N 3.44Å; E352-Q356 PolarHBondContact OE1-NE2 3.45Å |
| 353 | R | 79.6 | Confident | 77.6 | Confident | 117 Ų | 117 | 87.1 Ų | 87.1 | 44% | 0.442 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.6 | -36.1 | 173.4 | -78.2 | -176.7 | -95 | 113.1 | -6.7 | 112.3 | E349 S350 A357 | E349-R353 WeakPolarHBondContact O-CB 3.42Å; E349-R353 WeakPolarHBondContact O-CG 3.26Å; E349-R353 PolarHBondContact O-N 2.9Å; E349-R353 IonicContact OE2-NH2 3.55Å; S350-R353 PolarHBondContact OG-NH1 2.99Å; S350-R353 VanDerWaalsContact OG-NH1 3.13Å; S350-R353 PolarHBondContact OG-NH2 3.38Å; S350-R353 VanDerWaalsContact OG-NH2 3.1Å; R353-A357 WeakPolarHBondContact O-CB 3.32Å; R353-A357 PolarHBondContact O-N 3.24Å |
| 354 | I | 79.1 | Confident | 77.4 | Confident | 77 Ų | 77 | 94 Ų | 94 | 40% | 0.395 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -74.4 | -38.6 | 176.2 | -75.8 | 165.3 | 0 | 0 | 0 | 111.8 | L346 S350 L351 E352 A357 A358 | L346-I354 HydrophobicContact CD1-CD1 3.38Å; L346-I354 HydrophobicContact CD2-CD1 3.82Å; L346-I354 HydrophobicContact CG-CD1 4.26Å; S350-I354 WeakPolarHBondContact O-CB 3.36Å; S350-I354 WeakPolarHBondContact O-CD1 3.48Å; S350-I354 VanDerWaalsContact O-CG1 3.26Å; S350-I354 WeakPolarHBondContact O-CG1 3.49Å; S350-I354 PolarHBondContact O-N 2.67Å; S350-I354 VanDerWaalsContact O-N 3.08Å; L351-I354 CarbonylContact O-C 3.57Å; L351-I354 WeakPolarHBondContact O-CB 3.47Å; L351-I354 PolarHBondContact O-N 2.79Å; L351-I354 VanDerWaalsContact O-N 3.11Å; E352-I354 PolarHBondContact O-N 2.85Å; I354-A357 PolarHBondContact O-N 3.09Å; I354-A358 VanDerWaalsContact O-CB 3.27Å; I354-A358 WeakPolarHBondContact O-CB 3.39Å; I354-A358 PolarHBondContact O-N 3.43Å |
| 355 | I | 79.7 | Confident | 77.4 | Confident | 79 Ų | 79 | 92.3 Ų | 92.3 | 41% | 0.405 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.6 | -55.5 | 173.2 | -70.6 | 165.6 | 0 | 0 | 0 | 109.5 | L351 E352 A357 A358 E359 | L351-I355 HydrophobicContact CD1-CD1 4.25Å; L351-I355 HydrophobicContact CD1-CG1 4.45Å; L351-I355 HydrophobicContact CG-CD1 3.96Å; L351-I355 WeakPolarHBondContact O-CG1 3.28Å; L351-I355 PolarHBondContact O-N 3.39Å; E352-I355 PolarHBondContact O-N 3.11Å; E352-I355 VanDerWaalsContact O-N 3.1Å; I355-A357 VanDerWaalsContact C-N 3.26Å; I355-A357 PolarHBondContact O-N 2.86Å; I355-A358 WeakPolarHBondContact O-CA 3.38Å; I355-A358 WeakPolarHBondContact O-CB 3.49Å; I355-A358 PolarHBondContact O-N 3.22Å; I355-E359 HydrophobicContact CG2-CG 4.37Å; I355-E359 WeakPolarHBondContact CG2-OE1 3.47Å; I355-E359 WeakPolarHBondContact O-CG 3.42Å; I355-E359 PolarHBondContact O-N 2.95Å |
| 356 | Q | 80.3 | Confident | 77.1 | Confident | 73 Ų | 73 | 92.1 Ų | 92.1 | 34% | 0.341 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.9 | -37.8 | 177.4 | -66 | -177.4 | 19.2 | 0 | 0 | 112.5 | E352 K360 | E352-Q356 WeakPolarHBondContact O-CG 3.41Å; E352-Q356 PolarHBondContact O-N 3.44Å; E352-Q356 PolarHBondContact OE1-NE2 3.45Å; Q356-K360 VanDerWaalsContact O-CB 3.3Å; Q356-K360 WeakPolarHBondContact O-CB 3.28Å; Q356-K360 WeakPolarHBondContact O-CD 3.21Å; Q356-K360 WeakPolarHBondContact O-CG 3.36Å; Q356-K360 PolarHBondContact O-N 2.98Å |
| 357 | A | 79.6 | Confident | 76.6 | Confident | 57 Ų | 57 | 92.1 Ų | 92.1 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70.9 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R353 I354 I355 R361 | R353-A357 WeakPolarHBondContact O-CB 3.32Å; R353-A357 PolarHBondContact O-N 3.24Å; I354-A357 PolarHBondContact O-N 3.09Å; I355-A357 VanDerWaalsContact C-N 3.26Å; I355-A357 PolarHBondContact O-N 2.86Å; A357-R361 WeakPolarHBondContact O-CB 3.29Å; A357-R361 PolarHBondContact O-N 3.23Å |
| 358 | A | 78.7 | Confident | 75.6 | Confident | 44 Ų | 44 | 94.7 Ų | 94.7 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.2 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I354 I355 R361 I362 | I354-A358 VanDerWaalsContact O-CB 3.27Å; I354-A358 WeakPolarHBondContact O-CB 3.39Å; I354-A358 PolarHBondContact O-N 3.43Å; I355-A358 WeakPolarHBondContact O-CA 3.38Å; I355-A358 WeakPolarHBondContact O-CB 3.49Å; I355-A358 PolarHBondContact O-N 3.22Å; A358-R361 CarbonylContact O-C 3.28Å; A358-R361 WeakPolarHBondContact O-CA 3.29Å; A358-R361 WeakPolarHBondContact O-CB 3.31Å; A358-R361 PolarHBondContact O-N 3.36Å; A358-R361 VanDerWaalsContact O-N 3.12Å; A358-I362 VanDerWaalsContact O-CG1 3.3Å; A358-I362 WeakPolarHBondContact O-CG1 3.37Å; A358-I362 PolarHBondContact O-N 2.9Å |
| 359 | E | 78.4 | Confident | 74.5 | Confident | 95 Ų | 95 | 91.6 Ų | 91.6 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.5 | -52.9 | 173.7 | -70.6 | 170.3 | 167.4 | 0 | 0 | 111.6 | I355 R361 I362 L363 | I355-E359 HydrophobicContact CG2-CG 4.37Å; I355-E359 WeakPolarHBondContact CG2-OE1 3.47Å; I355-E359 WeakPolarHBondContact O-CG 3.42Å; I355-E359 PolarHBondContact O-N 2.95Å; E359-R361 PolarHBondContact O-N 3.15Å; E359-R361 VanDerWaalsContact O-N 3.14Å; E359-I362 PolarHBondContact O-N 3.18Å; E359-L363 WeakPolarHBondContact O-CB 3.49Å; E359-L363 WeakPolarHBondContact O-CG 3.48Å; E359-L363 PolarHBondContact O-N 2.85Å |
| 360 | K | 77.8 | Confident | 73.5 | Confident | 122 Ų | 122 | 93.6 Ų | 93.6 | 53% | 0.53 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -55.2 | -33 | 174.4 | -75.1 | 165.3 | -175.4 | 161.2 | 0 | 112 | Q356 R364 | Q356-K360 VanDerWaalsContact O-CB 3.3Å; Q356-K360 WeakPolarHBondContact O-CB 3.28Å; Q356-K360 WeakPolarHBondContact O-CD 3.21Å; Q356-K360 WeakPolarHBondContact O-CG 3.36Å; Q356-K360 PolarHBondContact O-N 2.98Å; K360-R364 VanDerWaalsContact O-CG 3.29Å; K360-R364 WeakPolarHBondContact O-CG 3.48Å; K360-R364 PolarHBondContact O-N 3.18Å |
| 361 | R | 77.5 | Confident | 72.5 | Confident | 174 Ų | 174 | 96.9 Ų | 96.9 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -76 | -41.3 | 175.6 | -172.2 | 178.3 | -179.2 | 97.1 | 2.6 | 112.6 | A357 A358 E359 R364 L365 | A357-R361 WeakPolarHBondContact O-CB 3.29Å; A357-R361 PolarHBondContact O-N 3.23Å; A358-R361 CarbonylContact O-C 3.28Å; A358-R361 WeakPolarHBondContact O-CA 3.29Å; A358-R361 WeakPolarHBondContact O-CB 3.31Å; A358-R361 PolarHBondContact O-N 3.36Å; A358-R361 VanDerWaalsContact O-N 3.12Å; E359-R361 PolarHBondContact O-N 3.15Å; E359-R361 VanDerWaalsContact O-N 3.14Å; R361-R364 PolarHBondContact O-N 3.07Å; R361-L365 HydrophobicContact CG-CD1 4.21Å; R361-L365 VanDerWaalsContact O-CG 3.3Å; R361-L365 WeakPolarHBondContact O-CG 3.3Å; R361-L365 PolarHBondContact O-N 3.28Å |
| 362 | I | 78.5 | Confident | 71.3 | Confident | 110 Ų | 110 | 98.7 Ų | 98.7 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.9 | -46.1 | 175.3 | -70.3 | 162.9 | 0 | 0 | 0 | 109.7 | A358 E359 R364 L365 A366 | A358-I362 VanDerWaalsContact O-CG1 3.3Å; A358-I362 WeakPolarHBondContact O-CG1 3.37Å; A358-I362 PolarHBondContact O-N 2.9Å; E359-I362 PolarHBondContact O-N 3.18Å; I362-R364 PolarHBondContact O-N 2.65Å; I362-L365 CarbonylContact O-C 3.59Å; I362-L365 PolarHBondContact O-N 2.97Å; I362-L365 VanDerWaalsContact O-N 3.08Å; I362-A366 WeakPolarHBondContact O-CB 3.47Å; I362-A366 PolarHBondContact O-N 3Å |
| 363 | L | 69.1 | Low | 69.9 | Low | 54 Ų | 54 | 102.1 Ų | 102.1 | 28% | 0.283 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 175.6 | -70.3 | 170.4 | 0 | 0 | 0 | 112.4 | E359 L365 A366 G367 L368 L374 | E359-L363 WeakPolarHBondContact O-CB 3.49Å; E359-L363 WeakPolarHBondContact O-CG 3.48Å; E359-L363 PolarHBondContact O-N 2.85Å; L363-L365 VanDerWaalsContact C-N 3.32Å; L363-L365 PolarHBondContact O-N 3.28Å; L363-A366 PolarHBondContact O-N 2.85Å; L363-G367 PolarHBondContact O-N 2.65Å; L363-L368 HydrophobicContact CD2-CB 4.32Å; L363-L368 HydrophobicContact CD2-CD1 4.39Å; L363-L368 PolarHBondContact O-N 3.4Å; L363-L374 HydrophobicContact CD1-CD2 3.97Å; L363-L374 HydrophobicContact CD2-CD2 3.9Å |
| 364 | R | 72.8 | Confident | 68.2 | Low | 218 Ų | 218 | 99 Ų | 99 | 82% | 0.823 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.8 | -36.5 | 174.1 | -76.3 | 176.4 | -177.4 | -171.7 | 2.5 | 113 | K360 R361 I362 | K360-R364 VanDerWaalsContact O-CG 3.29Å; K360-R364 WeakPolarHBondContact O-CG 3.48Å; K360-R364 PolarHBondContact O-N 3.18Å; R361-R364 PolarHBondContact O-N 3.07Å; I362-R364 PolarHBondContact O-N 2.65Å |
| 365 | L | 73.5 | Confident | 66.6 | Low | 137 Ų | 137 | 102.1 Ų | 102.1 | 72% | 0.717 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -76 | -31.1 | 177.9 | -70.9 | 170.3 | 0 | 0 | 0 | 112.6 | R361 I362 L363 G367 | R361-L365 HydrophobicContact CG-CD1 4.21Å; R361-L365 VanDerWaalsContact O-CG 3.3Å; R361-L365 WeakPolarHBondContact O-CG 3.3Å; R361-L365 PolarHBondContact O-N 3.28Å; I362-L365 CarbonylContact O-C 3.59Å; I362-L365 PolarHBondContact O-N 2.97Å; I362-L365 VanDerWaalsContact O-N 3.08Å; L363-L365 VanDerWaalsContact C-N 3.32Å; L363-L365 PolarHBondContact O-N 3.28Å; L365-G367 VanDerWaalsContact C-N 3.26Å; L365-G367 PolarHBondContact O-N 3.03Å |
| 366 | A | 71.8 | Confident | 65.3 | Low | 63 Ų | 63 | 101.4 Ų | 101.4 | 52% | 0.521 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -5.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I362 L363 L368 | I362-A366 WeakPolarHBondContact O-CB 3.47Å; I362-A366 PolarHBondContact O-N 3Å; L363-A366 PolarHBondContact O-N 2.85Å; A366-L368 HydrophobicContact CB-CD1 4.02Å; A366-L368 HydrophobicContact CB-CG 4.15Å; A366-L368 PolarHBondContact O-N 2.92Å |
| 367 | G | 63.3 | Low | 63.7 | Low | 52 Ų | 52 | 104.1 Ų | 104.1 | 54% | 0.536 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 70.4 | 14.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L363 L365 T369 | L363-G367 PolarHBondContact O-N 2.65Å; L365-G367 VanDerWaalsContact C-N 3.26Å; L365-G367 PolarHBondContact O-N 3.03Å; G367-T369 PolarHBondContact O-N 2.88Å |
| 368 | L | 58.7 | Low | 62.3 | Low | 102 Ų | 102 | 107.8 Ų | 107.8 | 53% | 0.534 | 57% | 0.574 | S | S | . | * | trans | -87.5 | 88.5 | -177.8 | -68.4 | 170.4 | 0 | 0 | 0 | 110 | L363 A366 | L363-L368 HydrophobicContact CD2-CB 4.32Å; L363-L368 HydrophobicContact CD2-CD1 4.39Å; L363-L368 PolarHBondContact O-N 3.4Å; A366-L368 HydrophobicContact CB-CD1 4.02Å; A366-L368 HydrophobicContact CB-CG 4.15Å; A366-L368 PolarHBondContact O-N 2.92Å | ||
| 369 | T | 54.4 | Low | 60.8 | Low | 119 Ų | 119 | 111.1 Ų | 111.1 | 73% | 0.73 | 59% | 0.589 | S | S | * | * | trans | -97 | -1.3 | -174.6 | 54 | 0 | 0 | 0 | 0 | 115.2 | G367 | G367-T369 PolarHBondContact O-N 2.88Š| ||
| 370 | N | 53.7 | Low | 58.8 | Low | 112 Ų | 112 | 113.3 Ų | 113.3 | 60% | 0.599 | 60% | 0.604 | S | S | * | * | trans | -108.5 | 118.7 | -163.7 | -66.6 | 3.1 | 0 | 0 | 0 | 113.1 | S372 K373 | N370-S372 PolarHBondContact O-N 2.91Å; N370-K373 PolarHBondContact O-N 3.37Å | ||
| 371 | S | 55.8 | Low | 56.8 | Low | 91 Ų | 91 | 110.7 Ų | 110.7 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -34.8 | -170 | -158.4 | 0 | 0 | 0 | 0 | 115.4 | K373 L374 | S371-K373 VanDerWaalsContact C-N 3.29Å; S371-K373 PolarHBondContact O-N 3.04Å; S371-L374 WeakPolarHBondContact O-CB 3.34Å; S371-L374 PolarHBondContact O-N 3.36Å; S371-L374 VanDerWaalsContact O-N 3.12Å |
| 372 | S | 54 | Low | 54.8 | Low | 98 Ų | 98 | 109.3 Ų | 109.3 | 69% | 0.685 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.5 | -25.2 | -173.2 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | N370 | N370-S372 PolarHBondContact O-N 2.91Å |
| 373 | K | 51 | Low | 52.5 | Low | 150 Ų | 150 | 110.7 Ų | 110.7 | 65% | 0.652 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -86.1 | -11.5 | 177.2 | -139.2 | 172 | -173.1 | 178.2 | 0 | 113 | N370 S371 S376 L377 | N370-K373 PolarHBondContact O-N 3.37Å; S371-K373 VanDerWaalsContact C-N 3.29Å; S371-K373 PolarHBondContact O-N 3.04Å; K373-S376 PolarHBondContact O-OG 3.15Å; K373-L377 WeakPolarHBondContact O-CD1 3.29Å |
| 374 | L | 44 | Very low | 50.8 | Low | 52 Ų | 52 | 114.4 Ų | 114.4 | 27% | 0.272 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -79.5 | -42.8 | 179.1 | -68.7 | 171.8 | 0 | 0 | 0 | 111.6 | L363 S371 S376 L377 L378 | L363-L374 HydrophobicContact CD1-CD2 3.97Å; L363-L374 HydrophobicContact CD2-CD2 3.9Å; S371-L374 WeakPolarHBondContact O-CB 3.34Å; S371-L374 PolarHBondContact O-N 3.36Å; S371-L374 VanDerWaalsContact O-N 3.12Å; L374-S376 VanDerWaalsContact C-N 3.32Å; L374-S376 PolarHBondContact O-N 3.14Å; L374-L377 PolarHBondContact O-N 3.09Å; L374-L377 VanDerWaalsContact O-N 3.09Å; L374-L378 HydrophobicContact CB-CD1 4.46Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 PolarHBondContact O-N 3Å; L374-L378 VanDerWaalsContact O-N 3.07Å |
| 375 | Q | 47 | Very low | 49 | Very low | 142 Ų | 142 | 111.5 Ų | 111.5 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.4 | -40.4 | 176.2 | -80.9 | 173.8 | -52.6 | 0 | 0 | 112.1 | L377 L378 V379 | Q375-L377 PolarHBondContact O-N 3.47Å; Q375-L378 PolarHBondContact O-N 3.31Å; Q375-V379 WeakPolarHBondContact O-CB 3.45Å; Q375-V379 WeakPolarHBondContact O-CG2 3.44Å; Q375-V379 PolarHBondContact O-N 3.07Å |
| 376 | S | 51.8 | Low | 46.9 | Very low | 64 Ų | 64 | 114 Ų | 114 | 45% | 0.448 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68.7 | -14.7 | 176.3 | 56.2 | 0 | 0 | 0 | 0 | 115.2 | K373 L374 N380 | K373-S376 PolarHBondContact O-OG 3.15Å; L374-S376 VanDerWaalsContact C-N 3.32Å; L374-S376 PolarHBondContact O-N 3.14Å; S376-N380 PolarHBondContact O-ND2 3.4Å |
| 377 | L | 46.9 | Very low | 45 | Very low | 130 Ų | 130 | 117.9 Ų | 117.9 | 68% | 0.681 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -103.5 | -15.4 | 179 | -80.8 | 167.5 | 0 | 0 | 0 | 113.3 | K373 L374 Q375 | K373-L377 WeakPolarHBondContact O-CD1 3.29Å; L374-L377 PolarHBondContact O-N 3.09Å; L374-L377 VanDerWaalsContact O-N 3.09Å; Q375-L377 PolarHBondContact O-N 3.47Å |
| 378 | L | 49.1 | Very low | 43.5 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 71% | 0.707 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -104.8 | -11.7 | -179 | -76 | 160.7 | 0 | 0 | 0 | 113.7 | L374 Q375 | L374-L378 HydrophobicContact CB-CD1 4.46Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 PolarHBondContact O-N 3Å; L374-L378 VanDerWaalsContact O-N 3.07Å; Q375-L378 PolarHBondContact O-N 3.31Å |
| 379 | V | 48.6 | Very low | 42.2 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -98.5 | -13.4 | -176.7 | 173.2 | 0 | 0 | 0 | 0 | 113.2 | Q375 G381 | Q375-V379 WeakPolarHBondContact O-CB 3.45Å; Q375-V379 WeakPolarHBondContact O-CG2 3.44Å; Q375-V379 PolarHBondContact O-N 3.07Å; V379-G381 PolarHBondContact O-N 3.4Å |
| 380 | N | 36.1 | Very low | 41.1 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | -92.5 | 77 | 178.5 | -64.5 | -16.3 | 0 | 0 | 0 | 110.4 | S376 | S376-N380 PolarHBondContact O-ND2 3.4Š| ||
| 381 | G | 35 | Very low | 40.1 | Very low | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -148.7 | 62.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V379 | V379-G381 PolarHBondContact O-N 3.4Š|
| 382 | D | 35 | Very low | 39.2 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | 19.3 | 117.1 | 170.7 | -56.5 | -30 | 0 | 0 | 0 | 119 | V384 | D382-V384 PolarHBondContact O-N 2.9Š| ||
| 383 | V | 30.1 | Very low | 38.1 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | trans | -56.1 | 108.8 | 156.1 | 176.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 384 | V | 34.9 | Very low | 37.4 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | -99.6 | 116 | 165.3 | -179.3 | 0 | 0 | 0 | 0 | 107 | D382 | D382-V384 PolarHBondContact O-N 2.9Š| ||
| 385 | E | 33.8 | Very low | 36.9 | Very low | 158 Ų | 158 | 134 Ų | 134 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | -61.5 | 148.8 | -179.2 | -62.2 | 177.5 | 137.1 | 0 | 0 | 111.7 | N387 | E385-N387 PolarHBondContact O-N 3.45Š| ||
| 386 | E | 30.4 | Very low | 36.5 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | trans | -59.2 | 120.9 | 170.4 | -64 | 176.3 | 142.5 | 0 | 0 | 109.2 | ||||
| 387 | N | 32.4 | Very low | 35.9 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -143 | 116.1 | 170.4 | -118.1 | -46.6 | 0 | 0 | 0 | 110.1 | E385 G389 | E385-N387 PolarHBondContact O-N 3.45Å; N387-G389 PolarHBondContact O-N 2.79Å; N387-G389 VanDerWaalsContact O-N 3.16Å | ||
| 388 | D | 30.2 | Very low | 35.5 | Very low | 165 Ų | 165 | 139 Ų | 139 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -76.3 | 101 | -170.6 | -25.2 | -41.8 | 0 | 0 | 0 | 109.6 | ||||
| 389 | G | 32.8 | Very low | 35 | Very low | 62 Ų | 62 | 136.8 Ų | 136.8 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | trans | -164.8 | 113.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N387 W391 | N387-G389 PolarHBondContact O-N 2.79Å; N387-G389 VanDerWaalsContact O-N 3.16Å; G389-W391 PolarHBondContact O-N 3.33Å | ||
| 390 | E | 30.6 | Very low | 34.6 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | trans | 7.9 | 103.2 | 161.9 | -60.9 | -175 | 137.8 | 0 | 0 | 118.4 | T392 | E390-T392 PolarHBondContact O-N 3.43Š| ||
| 391 | W | 33.4 | Very low | 34.8 | Very low | 258 Ų | 258 | 133.8 Ų | 133.8 | 98% | 0.977 | 75% | 0.748 | S | S | * | * | trans | -67.6 | 90.2 | 162.5 | -80.5 | 81.8 | 0 | 0 | 0 | 111 | G389 | G389-W391 PolarHBondContact O-N 3.33Š| ||
| 392 | T | 35.2 | Very low | 35.2 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | -79.1 | 128.8 | 167.8 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | E390 N394 | E390-T392 PolarHBondContact O-N 3.43Å; T392-N394 VanDerWaalsContact C-N 3.31Å; T392-N394 PolarHBondContact O-N 3.07Å | ||
| 393 | P | 32.5 | Very low | 35.4 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -82.2 | 73.5 | -177.8 | 33.1 | -35.3 | 0 | 0 | 0 | 111.1 | ||
| 394 | N | 35 | Very low | 35.7 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | -153.2 | 50.8 | 173.3 | -103.6 | -24.8 | 0 | 0 | 0 | 114.3 | T392 T396 | T392-N394 VanDerWaalsContact C-N 3.31Å; T392-N394 PolarHBondContact O-N 3.07Å; N394-T396 PolarHBondContact O-N 3.49Å | ||
| 395 | G | 33.9 | Very low | 35.8 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | trans | -85.7 | 94.9 | 157 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y397 | G395-Y397 PolarHBondContact O-N 2.94Š| ||
| 396 | T | 37.9 | Very low | 35.9 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -66 | 93.6 | -177.4 | 46.8 | 0 | 0 | 0 | 0 | 112 | N394 D398 | N394-T396 PolarHBondContact O-N 3.49Å; T396-D398 VanDerWaalsContact C-N 3.31Å; T396-D398 PolarHBondContact O-N 3.48Å | ||
| 397 | Y | 40.2 | Very low | 36.1 | Very low | 219 Ų | 219 | 142.1 Ų | 142.1 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -73.2 | 86.4 | 168.3 | -133.2 | -83.3 | 0 | 0 | 0 | 109.3 | G395 C399 | G395-Y397 PolarHBondContact O-N 2.94Å; Y397-C399 PolarHBondContact O-N 2.95Å | ||
| 398 | D | 37.9 | Very low | 36.3 | Very low | 99 Ų | 99 | 142 Ų | 142 | 53% | 0.529 | 77% | 0.765 | S | S | . | * | trans | -71.9 | 96.9 | -175.8 | -176.9 | 19.9 | 0 | 0 | 0 | 112.1 | T396 S400 | T396-D398 VanDerWaalsContact C-N 3.31Å; T396-D398 PolarHBondContact O-N 3.48Å; D398-S400 VanDerWaalsContact C-N 3.26Å; D398-S400 PolarHBondContact O-N 2.8Å; D398-S400 WeakPolarHBondContact OD1-CB 3.43Å; D398-S400 PolarHBondContact OD1-N 3.01Å; D398-S400 PolarHBondContact OD1-OG 2.91Å; D398-S400 PolarHBondContact OD2-OG 2.8Å | ||
| 399 | C | 38.9 | Very low | 36.6 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 60% | 0.595 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -79.7 | 2.6 | 172.9 | -68.9 | 0 | 0 | 0 | 0 | 113.9 | Y397 N401 Y402 | Y397-C399 PolarHBondContact O-N 2.95Å; C399-N401 PolarHBondContact O-N 2.96Å; C399-Y402 PolarHBondContact O-N 2.94Å |
| 400 | S | 41.6 | Very low | 36.8 | Very low | 55 Ų | 55 | 145.2 Ų | 145.2 | 39% | 0.385 | 77% | 0.766 | S | S | . | * | G | 310 helix | trans | -58.7 | -31.3 | -177.1 | 73 | 0 | 0 | 0 | 0 | 113.2 | D398 Y402 M403 | D398-S400 VanDerWaalsContact C-N 3.26Å; D398-S400 PolarHBondContact O-N 2.8Å; D398-S400 WeakPolarHBondContact OD1-CB 3.43Å; D398-S400 PolarHBondContact OD1-N 3.01Å; D398-S400 PolarHBondContact OD1-OG 2.91Å; D398-S400 PolarHBondContact OD2-OG 2.8Å; S400-Y402 PolarHBondContact O-N 2.91Å; S400-M403 PolarHBondContact O-N 2.95Å; S400-M403 VanDerWaalsContact O-N 3.07Å |
| 401 | N | 39.8 | Very low | 37.2 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -63.1 | -6.1 | 178.4 | -74.5 | -51.9 | 0 | 0 | 0 | 115.3 | C399 | C399-N401 PolarHBondContact O-N 2.96Š|
| 402 | Y | 42.3 | Very low | 37.4 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -105.5 | -1.8 | 174.1 | -85.9 | -78.6 | 0 | 0 | 0 | 115.2 | C399 S400 | C399-Y402 PolarHBondContact O-N 2.94Å; S400-Y402 PolarHBondContact O-N 2.91Å |
| 403 | M | 39 | Very low | 37.5 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -11.4 | -174.9 | -63.9 | -64 | -91.7 | 0 | 0 | 114.8 | S400 G405 | S400-M403 PolarHBondContact O-N 2.95Å; S400-M403 VanDerWaalsContact O-N 3.07Å; M403-G405 PolarHBondContact O-N 3.32Å |
| 404 | N | 36.8 | Very low | 37.9 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -93 | 101.9 | 177 | -72.4 | -13.2 | 0 | 0 | 0 | 111.5 | ||||
| 405 | G | 36.5 | Very low | 38.1 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | -136 | 41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M403 K407 | M403-G405 PolarHBondContact O-N 3.32Å; G405-K407 PolarHBondContact O-N 3.32Å; G405-K407 VanDerWaalsContact O-N 3.13Å | ||
| 406 | D | 37 | Very low | 38.5 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | trans | -64.6 | 106 | 175.9 | -74.9 | -40.4 | 0 | 0 | 0 | 111.7 | ||||
| 407 | K | 33.7 | Very low | 38.5 | Very low | 280 Ų | 280 | 145.5 Ų | 145.5 | 100% | 1.217 | 75% | 0.745 | S | S | * | * | trans | -177.5 | 0 | 146 | -105.7 | 169.6 | -173.4 | 176.8 | 0 | 112.9 | G405 | G405-K407 PolarHBondContact O-N 3.32Å; G405-K407 VanDerWaalsContact O-N 3.13Å |
Retrieved 407 of 407 residues in 552 ms
(Link to these results)