| 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 | 34.5 | Very low | 57.4 | Low | 227 Ų | 227 | 119.9 Ų | 119.9 | 100% | 1.118 | 66% | 0.66 | S | S | * | * | 0 | 85.1 | 0 | -87.8 | -176.1 | 166.4 | 0 | 0 | 106.1 | |||||
| 2 | D | 38.6 | Very low | 60 | Low | 153 Ų | 153 | 110 Ų | 110 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | trans | -111.2 | 124.5 | -154.5 | -56.9 | -87.2 | 0 | 0 | 0 | 107.5 | S4 | D2-S4 PolarHBondContact O-N 3.41Š| ||
| 3 | Q | 38.2 | Very low | 62.3 | Low | 199 Ų | 199 | 103.9 Ų | 103.9 | 93% | 0.93 | 57% | 0.571 | S | S | * | * | trans | -70 | 102.5 | -162.3 | -63.8 | 178.1 | 19 | 0 | 0 | 110.1 | G5 | Q3-G5 PolarHBondContact O-N 2.89Š| ||
| 4 | S | 44.4 | Very low | 64.2 | Low | 117 Ų | 117 | 96.5 Ų | 96.5 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | trans | -70.3 | 72.9 | 168.5 | 59.4 | 0 | 0 | 0 | 0 | 109.6 | D2 M6 | D2-S4 PolarHBondContact O-N 3.41Å; S4-M6 PolarHBondContact O-N 2.93Å | ||
| 5 | G | 44.7 | Very low | 65.8 | Low | 55 Ų | 55 | 93.7 Ų | 93.7 | 57% | 0.567 | 51% | 0.51 | S | S | * | . | trans | -53.5 | 130.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q3 E7 | Q3-G5 PolarHBondContact O-N 2.89Å; G5-E7 PolarHBondContact O-N 3.08Å | ||
| 6 | M | 46.5 | Very low | 67 | Low | 180 Ų | 180 | 89 Ų | 89 | 89% | 0.887 | 49% | 0.488 | S | S | * | . | trans | -65.3 | 103.2 | -172.5 | -60.5 | 175.5 | -164.3 | 0 | 0 | 109.1 | S4 I8 | S4-M6 PolarHBondContact O-N 2.93Å; M6-I8 PolarHBondContact O-N 2.88Å | ||
| 7 | E | 63.1 | Low | 67.5 | Low | 106 Ų | 106 | 87.9 Ų | 87.9 | 50% | 0.495 | 49% | 0.487 | S | S | . | . | trans | -72.1 | 99.3 | -179.8 | -57.8 | -159.7 | 132 | 0 | 0 | 108.5 | G5 P9 F29 N31 | G5-E7 PolarHBondContact O-N 3.08Å; E7-P9 WeakPolarHBondContact O-CD 3.27Å; E7-F29 HydrophobicContact CB-CD1 3.65Å; E7-F29 HydrophobicContact CB-CE1 4.22Å; E7-F29 VanDerWaalsContact O-CD1 3.29Å; E7-F29 WeakPolarHBondContact O-CD1 3.29Å; E7-F29 WeakPolarHBondContact O-CE1 3.46Å; E7-N31 PolarHBondContact OE1-ND2 3.18Å; E7-N31 PolarHBondContact OE2-ND2 3.39Å | ||
| 8 | I | 72.1 | Confident | 67.4 | Low | 132 Ų | 132 | 90.8 Ų | 90.8 | 68% | 0.677 | 50% | 0.501 | S | S | * | . | trans | -60.7 | 119.8 | 179.8 | -60.4 | 163.6 | 0 | 0 | 0 | 108.1 | M6 | M6-I8 PolarHBondContact O-N 2.88Š| ||
| 9 | P | 79.6 | Confident | 67.4 | Low | 74 Ų | 74 | 94.4 Ų | 94.4 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 137.1 | 175.7 | 30 | -33.5 | 0 | 0 | 0 | 109.6 | E7 F29 | E7-P9 WeakPolarHBondContact O-CD 3.27Å; P9-F29 HydrophobicContact CB-CD1 4.42Å; P9-F29 HydrophobicContact CB-CE1 4.07Å |
| 10 | V | 83.8 | Confident | 67.4 | Low | 20 Ų | 20 | 97.6 Ų | 97.6 | 12% | 0.121 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.7 | -178 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | L12 C28 L30 L73 H80 | V10-L12 PolarHBondContact O-N 3.06Å; V10-C28 PolarHBondContact N-O 2.99Å; V10-C28 PolarHBondContact O-N 3.43Å; V10-L30 HydrophobicContact CB-CD2 4.33Å; V10-L30 HydrophobicContact CB-CG 4.49Å; V10-L30 HydrophobicContact CG1-CD2 4.47Å; V10-L30 HydrophobicContact CG2-CD1 3.98Å; V10-L30 HydrophobicContact CG2-CD2 3.89Å; V10-L30 HydrophobicContact CG2-CG 3.71Å; V10-L73 HydrophobicContact CG1-CD1 4.32Å; V10-H80 VanDerWaalsContact CG1-CE1 3.46Å; V10-H80 WeakPolarHBondContact CG1-CE1 3.47Å; V10-H80 WeakPolarHBondContact CG1-ND1 3.46Å |
| 11 | T | 86.4 | Confident | 67.7 | Low | 56 Ų | 56 | 96.7 Ų | 96.7 | 34% | 0.344 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 104.9 | -171.6 | -57 | 0 | 0 | 0 | 0 | 110.9 | T25 Y79 H80 | T11-T25 HydrophobicContact CG2-CG2 3.49Å; T11-T25 VanDerWaalsContact CG2-CG2 3.49Å; T11-Y79 WeakPolarHBondContact O-CA 3.23Å; T11-H80 PolarHBondContact O-N 2.84Å |
| 12 | L | 88.7 | Confident | 69.6 | Low | 1 Ų | 1 | 90.6 Ų | 90.6 | 1% | 0.005 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.7 | -178.7 | -158.3 | 69.8 | 0 | 0 | 0 | 110.3 | V10 I14 T25 I26 L37 L73 H80 V82 | V10-L12 PolarHBondContact O-N 3.06Å; L12-I14 HydrophobicContact CD2-CD1 3.82Å; L12-I14 HydrophobicContact CG-CD1 4.01Å; L12-T25 CarbonylContact O-C 3.59Å; L12-T25 WeakPolarHBondContact O-CA 3.38Å; L12-I26 WeakPolarHBondContact CB-O 3.37Å; L12-I26 PolarHBondContact N-O 2.94Å; L12-I26 PolarHBondContact O-N 2.99Å; L12-L37 HydrophobicContact CD2-CD1 3.72Å; L12-L37 HydrophobicContact CD2-CD2 3.5Å; L12-L37 HydrophobicContact CD2-CG 4.25Å; L12-L73 HydrophobicContact CD1-CD1 4.03Å; L12-L73 HydrophobicContact CD1-CD2 4.22Å; L12-H80 HydrophobicContact CD1-CB 3.75Å; L12-V82 HydrophobicContact CD1-CG2 3.51Å; L12-V82 HydrophobicContact CD2-CG2 4.38Å; L12-V82 HydrophobicContact CG-CG2 4.03Å |
| 13 | I | 89.1 | Confident | 71.7 | Confident | 31 Ų | 31 | 86.4 Ų | 86.4 | 16% | 0.159 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.7 | 179.2 | -58.2 | 176.5 | 0 | 0 | 0 | 108.8 | K15 D23 Y79 H80 V82 | I13-K15 HydrophobicContact CG2-CG 4.42Å; I13-D23 HydrophobicContact CG2-CB 4.04Å; I13-Y79 HydrophobicContact CD1-CD2 3.89Å; I13-Y79 HydrophobicContact CD1-CG 4.23Å; I13-H80 PolarHBondContact N-O 3.47Å; I13-V82 PolarHBondContact O-N 3.13Å |
| 14 | I | 90 | Very high | 73.8 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 113.9 | -178.1 | -53.3 | -62.9 | 0 | 0 | 0 | 110.8 | L12 Q24 I26 L41 Y45 V82 L84 | L12-I14 HydrophobicContact CD2-CD1 3.82Å; L12-I14 HydrophobicContact CG-CD1 4.01Å; I14-Q24 HydrophobicContact CB-CB 4.28Å; I14-Q24 WeakPolarHBondContact CB-O 3.48Å; I14-Q24 PolarHBondContact N-O 3.01Å; I14-Q24 PolarHBondContact O-N 3.03Å; I14-I26 HydrophobicContact CG1-CD1 3.76Å; I14-I26 HydrophobicContact CG1-CG1 4.36Å; I14-L41 HydrophobicContact CD1-CD2 4.03Å; I14-L41 HydrophobicContact CG1-CD2 3.8Å; I14-L41 HydrophobicContact CG2-CD2 4.35Å; I14-Y45 HydrophobicContact CG2-CD2 4.28Å; I14-Y45 HydrophobicContact CG2-CE2 4.09Å; I14-V82 WeakPolarHBondContact CA-O 3.41Å; I14-V82 HydrophobicContact CD1-CB 4.19Å; I14-L84 HydrophobicContact CG2-CB 3.56Å; I14-L84 HydrophobicContact CG2-CD2 3.9Å; I14-L84 HydrophobicContact CG2-CG 4.4Å |
| 15 | K | 87.8 | Confident | 75.8 | Confident | 54 Ų | 54 | 78.2 Ų | 78.2 | 24% | 0.235 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.1 | 175.3 | -56.8 | -144.7 | 174.1 | -153.5 | 0 | 111.2 | I13 D23 M81 V82 H83 L84 | I13-K15 HydrophobicContact CG2-CG 4.42Å; K15-D23 WeakPolarHBondContact CD-OD1 3.42Å; K15-D23 WeakPolarHBondContact CE-OD1 3.34Å; K15-D23 WeakPolarHBondContact CE-OD2 3.48Å; K15-D23 VanDerWaalsContact CG-OD1 3.26Å; K15-D23 WeakPolarHBondContact CG-OD1 3.42Å; K15-D23 IonicContact NZ-OD1 2.65Å; K15-D23 IonicContact NZ-OD2 2.95Å; K15-D23 PolarHBondContact NZ-OD2 3.38Å; K15-M81 HydrophobicContact CD-CG 4.15Å; K15-M81 HydrophobicContact CD-SD 3.73Å; K15-M81 WeakPolarHBondContact CE-SD 3.11Å; K15-M81 HydrophobicContact CG-CG 3.98Å; K15-M81 HydrophobicContact CG-SD 4.24Å; K15-V82 PolarHBondContact N-O 2.88Å; K15-H83 CarbonylContact O-C 3.56Å; K15-H83 VanDerWaalsContact O-CA 3.25Å; K15-H83 WeakPolarHBondContact O-CA 3.26Å; K15-L84 PolarHBondContact O-N 3.44Å |
| 16 | A | 84.3 | Confident | 77.8 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | trans | -84.5 | 136.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | N18 Q19 Y45 | A16-N18 PolarHBondContact O-N 2.77Å; A16-N18 VanDerWaalsContact O-N 3.14Å; A16-Q19 PolarHBondContact O-N 2.85Å; A16-Y45 WeakPolarHBondContact CB-OH 3.43Å | ||
| 17 | P | 75.9 | Confident | 79.6 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.4 | 179.4 | 27.7 | -36.8 | 0 | 0 | 0 | 113 | L84 V85 | P17-L84 WeakPolarHBondContact CD-O 3.41Å; P17-V85 HydrophobicContact CG-CG2 4.14Å |
| 18 | N | 65.3 | Low | 80.6 | Confident | 139 Ų | 139 | 66.6 Ų | 66.6 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 0.4 | -179.3 | -57.6 | 15.4 | 0 | 0 | 0 | 112.9 | A16 K20 | A16-N18 PolarHBondContact O-N 2.77Å; A16-N18 VanDerWaalsContact O-N 3.14Å; N18-K20 PolarHBondContact O-N 2.95Å |
| 19 | Q | 68.4 | Low | 81.3 | Confident | 159 Ų | 159 | 63.6 Ų | 63.6 | 74% | 0.743 | 34% | 0.344 | S | S | * | . | trans | 47.1 | 12.9 | -175.1 | -145.9 | 177.1 | 10.6 | 0 | 0 | 116.9 | A16 Y21 | A16-Q19 PolarHBondContact O-N 2.85Å; Q19-Y21 PolarHBondContact O-N 3.06Å; Q19-Y21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | K | 67.1 | Low | 81.5 | Confident | 158 Ų | 158 | 61.9 Ų | 61.9 | 69% | 0.687 | 33% | 0.331 | S | S | * | . | trans | -62.8 | -19 | -175.5 | -177.3 | 173.2 | 178.8 | -179.5 | 0 | 114.2 | N18 | N18-K20 PolarHBondContact O-N 2.95Š| ||
| 21 | Y | 72.3 | Confident | 81.5 | Confident | 80 Ų | 80 | 64 Ų | 64 | 31% | 0.314 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -130.9 | 148 | 173.2 | -52.9 | -83.3 | 0 | 0 | 0 | 107.3 | Q19 Y45 P46 | Q19-Y21 PolarHBondContact O-N 3.06Å; Q19-Y21 VanDerWaalsContact O-N 3.09Å; Y21-Y45 HydrophobicContact CD2-CE1 4.1Å; Y21-P46 HydrophobicContact CD1-CB 4.13Å; Y21-P46 HydrophobicContact CD1-CG 3.67Å; Y21-P46 HydrophobicContact CE1-CB 4.25Å; Y21-P46 HydrophobicContact CE1-CG 4.23Å; Y21-P46 HydrophobicContact CG-CG 3.92Å |
| 22 | S | 74.6 | Confident | 81.6 | Confident | 98 Ų | 98 | 62.9 Ų | 62.9 | 69% | 0.685 | 33% | 0.331 | S | S | * | . | trans | -57.5 | 157.5 | 174.7 | 51.9 | 0 | 0 | 0 | 0 | 112 | Q24 | S22-Q24 PolarHBondContact O-N 3.41Š| ||
| 23 | D | 83.5 | Confident | 81.7 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 35% | 0.353 | 35% | 0.346 | S | S | . | . | trans | -56.9 | 123.2 | 174.9 | -62.6 | -28.1 | 0 | 0 | 0 | 110 | I13 K15 | I13-D23 HydrophobicContact CG2-CB 4.04Å; K15-D23 WeakPolarHBondContact CD-OD1 3.42Å; K15-D23 WeakPolarHBondContact CE-OD1 3.34Å; K15-D23 WeakPolarHBondContact CE-OD2 3.48Å; K15-D23 VanDerWaalsContact CG-OD1 3.26Å; K15-D23 WeakPolarHBondContact CG-OD1 3.42Å; K15-D23 IonicContact NZ-OD1 2.65Å; K15-D23 IonicContact NZ-OD2 2.95Å; K15-D23 PolarHBondContact NZ-OD2 3.38Å | ||
| 24 | Q | 82.6 | Confident | 81.8 | Confident | 65 Ų | 65 | 63.8 Ų | 63.8 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 104.4 | -173.5 | -179.7 | 65.4 | 68.6 | 0 | 0 | 109.9 | I14 S22 I26 Y45 | I14-Q24 HydrophobicContact CB-CB 4.28Å; I14-Q24 WeakPolarHBondContact CB-O 3.48Å; I14-Q24 PolarHBondContact N-O 3.01Å; I14-Q24 PolarHBondContact O-N 3.03Å; S22-Q24 PolarHBondContact O-N 3.41Å; Q24-I26 HydrophobicContact CG-CD1 4.24Å; Q24-I26 HydrophobicContact CG-CG1 4.05Å; Q24-Y45 HydrophobicContact CB-CD2 4.06Å; Q24-Y45 HydrophobicContact CB-CE2 3.93Å; Q24-Y45 HydrophobicContact CG-CD2 4.2Å |
| 25 | T | 86.1 | Confident | 81.7 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 49% | 0.485 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 135.5 | 172 | -49.9 | 0 | 0 | 0 | 0 | 110.5 | T11 L12 | T11-T25 HydrophobicContact CG2-CG2 3.49Å; T11-T25 VanDerWaalsContact CG2-CG2 3.49Å; L12-T25 CarbonylContact O-C 3.59Å; L12-T25 WeakPolarHBondContact O-CA 3.38Å |
| 26 | I | 86.7 | Confident | 81.8 | Confident | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 128.9 | -179 | -61.1 | 178.3 | 0 | 0 | 0 | 109 | L12 I14 Q24 L41 V44 | L12-I26 WeakPolarHBondContact CB-O 3.37Å; L12-I26 PolarHBondContact N-O 2.94Å; L12-I26 PolarHBondContact O-N 2.99Å; I14-I26 HydrophobicContact CG1-CD1 3.76Å; I14-I26 HydrophobicContact CG1-CG1 4.36Å; Q24-I26 HydrophobicContact CG-CD1 4.24Å; Q24-I26 HydrophobicContact CG-CG1 4.05Å; I26-L41 HydrophobicContact CD1-CD2 3.35Å; I26-L41 HydrophobicContact CD1-CG 4.49Å; I26-V44 HydrophobicContact CD1-CG2 3.67Å; I26-V44 HydrophobicContact CG1-CG2 4.37Å |
| 27 | S | 84.1 | Confident | 82.1 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 59% | 0.594 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 125.5 | 166.6 | 45.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 28 | C | 83.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 156.6 | 178.9 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | V10 W32 L37 L69 | V10-C28 PolarHBondContact N-O 2.99Å; V10-C28 PolarHBondContact O-N 3.43Å; C28-W32 HydrophobicContact CB-CE3 4.16Å; C28-W32 HydrophobicContact CB-CZ3 4.16Å; C28-L37 HydrophobicContact CB-CD1 4.47Å; C28-L69 HydrophobicContact CB-CD2 4.22Å; C28-L69 VanDerWaalsContact SG-CD2 3.51Å |
| 29 | F | 86.4 | Confident | 83.9 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 31% | 0.307 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 139.2 | -176 | -58.3 | -88 | 0 | 0 | 0 | 110.7 | E7 P9 N31 W32 | E7-F29 HydrophobicContact CB-CD1 3.65Å; E7-F29 HydrophobicContact CB-CE1 4.22Å; E7-F29 VanDerWaalsContact O-CD1 3.29Å; E7-F29 WeakPolarHBondContact O-CD1 3.29Å; E7-F29 WeakPolarHBondContact O-CE1 3.46Å; P9-F29 HydrophobicContact CB-CD1 4.42Å; P9-F29 HydrophobicContact CB-CE1 4.07Å; F29-N31 WeakPolarHBondContact CB-OD1 3.49Å; F29-N31 PolarHBondContact O-N 2.87Å; F29-N31 VanDerWaalsContact O-N 3.13Å; F29-W32 AromaticContact CD2-CE2 3.74Å; F29-W32 AromaticContact CD2-CZ2 3.66Å; F29-W32 HydrophobicContact CD2-CZ2 3.66Å; F29-W32 AromaticContact CD2-NE1 3.64Å; F29-W32 HydrophobicContact CE2-CZ2 4.17Å; F29-W32 WeakPolarHBondContact O-CB 3.16Å; F29-W32 PolarHBondContact O-N 3.25Å |
| 30 | L | 84.9 | Confident | 84.9 | Confident | 38 Ų | 38 | 55.6 Ų | 55.6 | 20% | 0.199 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.5 | -176.1 | -68.6 | 174.2 | 0 | 0 | 0 | 113.7 | V10 W32 K70 L73 | V10-L30 HydrophobicContact CB-CD2 4.33Å; V10-L30 HydrophobicContact CB-CG 4.49Å; V10-L30 HydrophobicContact CG1-CD2 4.47Å; V10-L30 HydrophobicContact CG2-CD1 3.98Å; V10-L30 HydrophobicContact CG2-CD2 3.89Å; V10-L30 HydrophobicContact CG2-CG 3.71Å; L30-W32 VanDerWaalsContact C-N 3.26Å; L30-W32 PolarHBondContact O-N 2.94Å; L30-K70 HydrophobicContact CB-CB 3.93Å; L30-K70 WeakPolarHBondContact O-CB 3.48Å; L30-K70 PolarHBondContact O-N 2.9Å; L30-L73 HydrophobicContact CD2-CB 4.15Å; L30-L73 HydrophobicContact CD2-CD1 4.14Å |
| 31 | N | 84 | Confident | 85.9 | Confident | 65 Ų | 65 | 48.1 Ų | 48.1 | 35% | 0.348 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.7 | 174.6 | 69.7 | -19.5 | 0 | 0 | 0 | 114 | E7 F29 | E7-N31 PolarHBondContact OE1-ND2 3.18Å; E7-N31 PolarHBondContact OE2-ND2 3.39Å; F29-N31 WeakPolarHBondContact CB-OD1 3.49Å; F29-N31 PolarHBondContact O-N 2.87Å; F29-N31 VanDerWaalsContact O-N 3.13Å |
| 32 | W | 88.2 | Confident | 86.6 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | trans | -71.1 | 147.4 | 179.5 | -70.9 | 12 | 0 | 0 | 0 | 111.1 | C28 F29 L30 K36 H40 Q68 L69 | C28-W32 HydrophobicContact CB-CE3 4.16Å; C28-W32 HydrophobicContact CB-CZ3 4.16Å; F29-W32 AromaticContact CD2-CE2 3.74Å; F29-W32 AromaticContact CD2-CZ2 3.66Å; F29-W32 HydrophobicContact CD2-CZ2 3.66Å; F29-W32 AromaticContact CD2-NE1 3.64Å; F29-W32 HydrophobicContact CE2-CZ2 4.17Å; F29-W32 WeakPolarHBondContact O-CB 3.16Å; F29-W32 PolarHBondContact O-N 3.25Å; L30-W32 VanDerWaalsContact C-N 3.26Å; L30-W32 PolarHBondContact O-N 2.94Å; W32-K36 HydrophobicContact CB-CB 4.37Å; W32-K36 HydrophobicContact CB-CD 4.17Å; W32-K36 HydrophobicContact CB-CG 4.5Å; W32-K36 VanDerWaalsContact CD1-NZ 3.27Å; W32-K36 HydrophobicContact CD2-CD 3.9Å; W32-K36 HydrophobicContact CD2-CG 4.08Å; W32-K36 HydrophobicContact CE3-CG 4.29Å; W32-K36 HydrophobicContact CG-CD 3.65Å; W32-K36 HydrophobicContact CG-CG 4.16Å; W32-H40 HydrophobicContact CZ3-CB 3.95Å; W32-H40 AromaticContact CZ3-CG 3.93Å; W32-Q68 WeakPolarHBondContact O-CA 3.4Å; W32-L69 WeakPolarHBondContact O-CD1 3.48Å; W32-L69 PolarHBondContact O-N 3.34Å | ||
| 33 | T | 91 | Very high | 87.1 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 31% | 0.307 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -80.7 | 155.8 | 163.9 | 56 | 0 | 0 | 0 | 0 | 110.6 | G35 K36 L37 L67 Q68 | T33-G35 PolarHBondContact O-N 2.9Å; T33-K36 WeakPolarHBondContact O-CB 3.06Å; T33-K36 PolarHBondContact O-N 3.28Å; T33-K36 PolarHBondContact OG1-N 3.11Å; T33-L37 PolarHBondContact O-N 2.94Å; T33-L67 CarbonylContact C-O 3.56Å; T33-L67 WeakPolarHBondContact CA-O 3.49Å; T33-Q68 HydrophobicContact CG2-CG 4.28Å |
| 34 | V | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.8 | -36.5 | 172.8 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | L37 K38 L56 L63 P64 L67 L69 I72 | V34-L37 WeakPolarHBondContact O-CB 3.32Å; V34-L37 PolarHBondContact O-N 3.41Å; V34-K38 WeakPolarHBondContact O-CG 3.41Å; V34-K38 PolarHBondContact O-N 3.22Å; V34-L56 HydrophobicContact CG1-CD1 4.12Å; V34-L63 HydrophobicContact CG1-CB 3.94Å; V34-L63 HydrophobicContact CG2-CB 3.97Å; V34-L63 HydrophobicContact CG2-CD1 4.47Å; V34-P64 WeakPolarHBondContact CB-O 3.47Å; V34-L67 HydrophobicContact CG2-CB 4.42Å; V34-L67 WeakPolarHBondContact CG2-O 3.29Å; V34-L67 PolarHBondContact N-O 3.46Å; V34-L69 HydrophobicContact CG2-CD1 4.19Å; V34-I72 HydrophobicContact CG2-CD1 3.52Å |
| 35 | G | 88.8 | Confident | 87.2 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T33 K38 T39 D65 | T33-G35 PolarHBondContact O-N 2.9Å; G35-K38 PolarHBondContact O-N 2.92Å; G35-T39 PolarHBondContact O-N 3.34Å; G35-T39 PolarHBondContact O-OG1 3.15Å; G35-D65 PolarHBondContact N-O 3.45Å |
| 36 | K | 89.8 | Confident | 87 | Confident | 104 Ų | 104 | 42.9 Ų | 42.9 | 45% | 0.452 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.5 | -41.5 | 174.1 | -173.4 | 175.6 | 176.2 | -170.5 | 0 | 111.2 | W32 T33 T39 H40 | W32-K36 HydrophobicContact CB-CB 4.37Å; W32-K36 HydrophobicContact CB-CD 4.17Å; W32-K36 HydrophobicContact CB-CG 4.5Å; W32-K36 VanDerWaalsContact CD1-NZ 3.27Å; W32-K36 HydrophobicContact CD2-CD 3.9Å; W32-K36 HydrophobicContact CD2-CG 4.08Å; W32-K36 HydrophobicContact CE3-CG 4.29Å; W32-K36 HydrophobicContact CG-CD 3.65Å; W32-K36 HydrophobicContact CG-CG 4.16Å; T33-K36 WeakPolarHBondContact O-CB 3.06Å; T33-K36 PolarHBondContact O-N 3.28Å; T33-K36 PolarHBondContact OG1-N 3.11Å; K36-T39 PolarHBondContact O-N 3.25Å; K36-H40 PolarHBondContact O-N 3.32Å |
| 37 | L | 89.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 172.2 | 173.6 | 64.1 | 0 | 0 | 0 | 111.7 | L12 C28 T33 V34 T39 H40 L41 L56 L69 | L12-L37 HydrophobicContact CD2-CD1 3.72Å; L12-L37 HydrophobicContact CD2-CD2 3.5Å; L12-L37 HydrophobicContact CD2-CG 4.25Å; C28-L37 HydrophobicContact CB-CD1 4.47Å; T33-L37 PolarHBondContact O-N 2.94Å; V34-L37 WeakPolarHBondContact O-CB 3.32Å; V34-L37 PolarHBondContact O-N 3.41Å; L37-T39 VanDerWaalsContact C-N 3.26Å; L37-T39 PolarHBondContact O-N 3.31Å; L37-H40 WeakPolarHBondContact O-CB 3.39Å; L37-H40 PolarHBondContact O-N 3.09Å; L37-H40 VanDerWaalsContact O-N 3.11Å; L37-L41 HydrophobicContact CD1-CD1 4.31Å; L37-L41 HydrophobicContact CD1-CG 4.3Å; L37-L41 HydrophobicContact CG-CD1 4.03Å; L37-L41 HydrophobicContact CG-CG 4.47Å; L37-L41 WeakPolarHBondContact O-CG 3.36Å; L37-L41 PolarHBondContact O-N 2.81Å; L37-L56 HydrophobicContact CD2-CD1 3.73Å; L37-L56 HydrophobicContact CG-CD1 4.1Å; L37-L69 HydrophobicContact CB-CD1 4.34Å; L37-L69 HydrophobicContact CD2-CD1 4.24Å; L37-L69 HydrophobicContact CD2-CD2 4.36Å |
| 38 | K | 90.8 | Very high | 86.4 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.6 | -38.5 | 175 | -72.8 | -178.9 | -179.2 | -176.1 | 0 | 113 | V34 G35 H40 L41 S42 T51 Q54 L56 D65 | V34-K38 WeakPolarHBondContact O-CG 3.41Å; V34-K38 PolarHBondContact O-N 3.22Å; G35-K38 PolarHBondContact O-N 2.92Å; K38-H40 VanDerWaalsContact C-N 3.34Å; K38-L41 WeakPolarHBondContact O-CB 3.3Å; K38-L41 PolarHBondContact O-N 3.47Å; K38-S42 PolarHBondContact O-N 2.99Å; K38-S42 PolarHBondContact O-OG 2.99Å; K38-T51 HydrophobicContact CB-CG2 4.39Å; K38-Q54 VanDerWaalsContact CB-OE1 3.31Å; K38-Q54 HydrophobicContact CD-CB 4.09Å; K38-Q54 VanDerWaalsContact CE-O 3.23Å; K38-Q54 WeakPolarHBondContact CE-O 3.45Å; K38-Q54 HydrophobicContact CG-CB 4.18Å; K38-Q54 PolarHBondContact NZ-O 3.34Å; K38-Q54 PolarHBondContact O-NE2 2.95Å; K38-Q54 PolarHBondContact O-OE1 3.26Å; K38-L56 HydrophobicContact CG-CD1 3.67Å; K38-L56 HydrophobicContact CG-CG 4.31Å; K38-D65 WeakPolarHBondContact CD-OD1 3.42Å; K38-D65 WeakPolarHBondContact CE-OD1 3.49Å; K38-D65 IonicContact NZ-OD1 3.69Å; K38-D65 PolarHBondContact NZ-OD1 3.02Å |
| 39 | T | 89.3 | Confident | 86.4 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.4 | -32.2 | 178.6 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | G35 K36 L37 S42 N43 | G35-T39 PolarHBondContact O-N 3.34Å; G35-T39 PolarHBondContact O-OG1 3.15Å; K36-T39 PolarHBondContact O-N 3.25Å; L37-T39 VanDerWaalsContact C-N 3.26Å; L37-T39 PolarHBondContact O-N 3.31Å; T39-S42 WeakPolarHBondContact CA-OG 3.45Å; T39-S42 PolarHBondContact O-OG 3.47Å; T39-N43 PolarHBondContact O-ND2 3.39Å |
| 40 | H | 88.7 | Confident | 86.3 | Confident | 60 Ų | 60 | 49.7 Ų | 49.7 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.4 | -45.9 | 169.2 | -173.5 | 79.4 | 0 | 0 | 0 | 111.2 | W32 K36 L37 K38 S42 N43 V44 | W32-H40 HydrophobicContact CZ3-CB 3.95Å; W32-H40 AromaticContact CZ3-CG 3.93Å; K36-H40 PolarHBondContact O-N 3.32Å; L37-H40 WeakPolarHBondContact O-CB 3.39Å; L37-H40 PolarHBondContact O-N 3.09Å; L37-H40 VanDerWaalsContact O-N 3.11Å; K38-H40 VanDerWaalsContact C-N 3.34Å; H40-S42 VanDerWaalsContact C-N 3.34Å; H40-S42 PolarHBondContact O-N 3.37Å; H40-N43 WeakPolarHBondContact O-CB 3.28Å; H40-N43 PolarHBondContact O-N 3.34Å; H40-V44 PolarHBondContact O-N 2.92Å; H40-V44 VanDerWaalsContact O-N 3.07Å |
| 41 | L | 88.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -38.2 | 178 | -71.8 | 167.8 | 0 | 0 | 0 | 113.7 | I14 I26 L37 K38 N43 Y45 L56 L84 | I14-L41 HydrophobicContact CD1-CD2 4.03Å; I14-L41 HydrophobicContact CG1-CD2 3.8Å; I14-L41 HydrophobicContact CG2-CD2 4.35Å; I26-L41 HydrophobicContact CD1-CD2 3.35Å; I26-L41 HydrophobicContact CD1-CG 4.49Å; L37-L41 HydrophobicContact CD1-CD1 4.31Å; L37-L41 HydrophobicContact CD1-CG 4.3Å; L37-L41 HydrophobicContact CG-CD1 4.03Å; L37-L41 HydrophobicContact CG-CG 4.47Å; L37-L41 WeakPolarHBondContact O-CG 3.36Å; L37-L41 PolarHBondContact O-N 2.81Å; K38-L41 WeakPolarHBondContact O-CB 3.3Å; K38-L41 PolarHBondContact O-N 3.47Å; L41-N43 PolarHBondContact O-N 2.85Å; L41-N43 VanDerWaalsContact O-N 3.14Å; L41-Y45 WeakPolarHBondContact O-CB 3.21Å; L41-Y45 PolarHBondContact O-N 3.06Å; L41-L56 HydrophobicContact CD1-CD1 3.9Å; L41-L56 HydrophobicContact CD1-CD2 3.67Å; L41-L56 HydrophobicContact CD1-CG 4.3Å; L41-L84 HydrophobicContact CD2-CD2 4.48Å |
| 42 | S | 87.2 | Confident | 86.4 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -20.5 | 175.6 | 43.8 | 0 | 0 | 0 | 0 | 113.6 | K38 T39 H40 P49 | K38-S42 PolarHBondContact O-N 2.99Å; K38-S42 PolarHBondContact O-OG 2.99Å; T39-S42 WeakPolarHBondContact CA-OG 3.45Å; T39-S42 PolarHBondContact O-OG 3.47Å; H40-S42 VanDerWaalsContact C-N 3.34Å; H40-S42 PolarHBondContact O-N 3.37Å; S42-P49 VanDerWaalsContact CB-O 3.26Å; S42-P49 WeakPolarHBondContact CB-O 3.28Å |
| 43 | N | 85.1 | Confident | 86.3 | Confident | 116 Ų | 116 | 51.8 Ų | 51.8 | 62% | 0.62 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -96.7 | -44.1 | -179.5 | -60.9 | -22.4 | 0 | 0 | 0 | 112.3 | T39 H40 L41 | T39-N43 PolarHBondContact O-ND2 3.39Å; H40-N43 WeakPolarHBondContact O-CB 3.28Å; H40-N43 PolarHBondContact O-N 3.34Å; L41-N43 PolarHBondContact O-N 2.85Å; L41-N43 VanDerWaalsContact O-N 3.14Å |
| 44 | V | 85.1 | Confident | 86.2 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 39% | 0.394 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -91 | -24.1 | -173.5 | -54.5 | 0 | 0 | 0 | 0 | 114.4 | I26 H40 | I26-V44 HydrophobicContact CD1-CG2 3.67Å; I26-V44 HydrophobicContact CG1-CG2 4.37Å; H40-V44 PolarHBondContact O-N 2.92Å; H40-V44 VanDerWaalsContact O-N 3.07Å |
| 45 | Y | 83.1 | Confident | 86.1 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -81.3 | 134.6 | -176.9 | -163.6 | -95 | 0 | 0 | 0 | 111.2 | I14 A16 Y21 Q24 L41 S47 K48 P49 L84 | I14-Y45 HydrophobicContact CG2-CD2 4.28Å; I14-Y45 HydrophobicContact CG2-CE2 4.09Å; A16-Y45 WeakPolarHBondContact CB-OH 3.43Å; Y21-Y45 HydrophobicContact CD2-CE1 4.1Å; Q24-Y45 HydrophobicContact CB-CD2 4.06Å; Q24-Y45 HydrophobicContact CB-CE2 3.93Å; Q24-Y45 HydrophobicContact CG-CD2 4.2Å; L41-Y45 WeakPolarHBondContact O-CB 3.21Å; L41-Y45 PolarHBondContact O-N 3.06Å; Y45-S47 VanDerWaalsContact C-N 3.29Å; Y45-S47 VanDerWaalsContact CD1-OG 3.26Å; Y45-S47 WeakPolarHBondContact CD1-OG 3.35Å; Y45-S47 WeakPolarHBondContact CE1-OG 3.12Å; Y45-S47 PolarHBondContact O-N 3.2Å; Y45-S47 VanDerWaalsContact O-N 3.12Å; Y45-K48 PolarHBondContact O-N 3.33Å; Y45-P49 HydrophobicContact CD1-CG 4.43Å; Y45-L84 HydrophobicContact CD1-CD2 4.17Å; Y45-L84 HydrophobicContact CD2-CD2 4.16Å; Y45-L84 HydrophobicContact CE1-CD2 4.4Å; Y45-L84 HydrophobicContact CE2-CD2 4.4Å; Y45-L84 HydrophobicContact CG-CD2 4.06Å |
| 46 | P | 80.1 | Confident | 86.2 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.2 | -167.4 | 20.9 | -34 | 0 | 0 | 0 | 115.4 | Y21 K48 | Y21-P46 HydrophobicContact CD1-CB 4.13Å; Y21-P46 HydrophobicContact CD1-CG 3.67Å; Y21-P46 HydrophobicContact CE1-CB 4.25Å; Y21-P46 HydrophobicContact CE1-CG 4.23Å; Y21-P46 HydrophobicContact CG-CG 3.92Å; P46-K48 VanDerWaalsContact C-N 3.33Å |
| 47 | S | 78.1 | Confident | 86.3 | Confident | 49 Ų | 49 | 51 Ų | 51 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -1.9 | 174.6 | 66.9 | 0 | 0 | 0 | 0 | 114.7 | Y45 | Y45-S47 VanDerWaalsContact C-N 3.29Å; Y45-S47 VanDerWaalsContact CD1-OG 3.26Å; Y45-S47 WeakPolarHBondContact CD1-OG 3.35Å; Y45-S47 WeakPolarHBondContact CE1-OG 3.12Å; Y45-S47 PolarHBondContact O-N 3.2Å; Y45-S47 VanDerWaalsContact O-N 3.12Å |
| 48 | K | 81.3 | Confident | 86.3 | Confident | 152 Ų | 152 | 52 Ų | 52 | 66% | 0.661 | 27% | 0.269 | S | S | * | . | trans | 41.2 | 55.1 | -178.8 | -62.1 | -174.1 | 177.2 | -179.3 | 0 | 114.1 | Y45 P46 L50 | Y45-K48 PolarHBondContact O-N 3.33Å; P46-K48 VanDerWaalsContact C-N 3.33Å; K48-L50 PolarHBondContact O-N 3.4Å | ||
| 49 | P | 83 | Confident | 86 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | trans | -69.3 | 133.5 | -173.4 | 29.6 | -33.9 | 0 | 0 | 0 | 110.8 | S42 Y45 Q54 L84 C86 | S42-P49 VanDerWaalsContact CB-O 3.26Å; S42-P49 WeakPolarHBondContact CB-O 3.28Å; Y45-P49 HydrophobicContact CD1-CG 4.43Å; P49-Q54 HydrophobicContact CB-CG 3.94Å; P49-Q54 HydrophobicContact CG-CG 3.92Å; P49-Q54 PolarHBondContact O-NE2 2.98Å; P49-L84 HydrophobicContact CG-CD2 4.27Å; P49-C86 HydrophobicContact CB-CB 4.4Å; P49-C86 WeakPolarHBondContact CB-SG 3.16Å | ||
| 50 | L | 85.8 | Confident | 85.7 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | trans | -65.4 | 135.7 | -179.4 | -176.5 | 59.8 | 0 | 0 | 0 | 110.9 | K48 K52 D53 Q54 | K48-L50 PolarHBondContact O-N 3.4Å; L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 HydrophobicContact CD2-CD 3.79Å; L50-K52 HydrophobicContact CD2-CG 4.11Å; L50-K52 HydrophobicContact CG-CD 4.37Å; L50-K52 HydrophobicContact CG-CG 4.16Å; L50-K52 PolarHBondContact O-N 2.95Å; L50-K52 VanDerWaalsContact O-N 3.1Å; L50-D53 WeakPolarHBondContact O-CA 3.38Å; L50-D53 WeakPolarHBondContact O-CB 3.27Å; L50-D53 PolarHBondContact O-N 3.43Å; L50-Q54 PolarHBondContact O-N 2.99Å | ||
| 51 | T | 86.3 | Confident | 85.6 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 31% | 0.307 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -50.4 | -40.3 | -171.7 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | K38 D53 Q54 | K38-T51 HydrophobicContact CB-CG2 4.39Å; T51-D53 PolarHBondContact O-N 3.12Å; T51-Q54 PolarHBondContact O-N 3.44Å |
| 52 | K | 83.9 | Confident | 85.6 | Confident | 110 Ų | 110 | 66.9 Ų | 66.9 | 48% | 0.478 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -61.9 | -29.2 | 177.1 | 82.9 | -175.8 | -168.3 | -178.1 | 0 | 113.6 | L50 R89 | L50-K52 VanDerWaalsContact C-N 3.27Å; L50-K52 HydrophobicContact CD2-CD 3.79Å; L50-K52 HydrophobicContact CD2-CG 4.11Å; L50-K52 HydrophobicContact CG-CD 4.37Å; L50-K52 HydrophobicContact CG-CG 4.16Å; L50-K52 PolarHBondContact O-N 2.95Å; L50-K52 VanDerWaalsContact O-N 3.1Å; K52-R89 WeakPolarHBondContact CE-O 3.38Å; K52-R89 PolarHBondContact NZ-O 2.98Å |
| 53 | D | 85.9 | Confident | 85.8 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 10% | 0.102 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -95.6 | -9.7 | -174.9 | -63.1 | -44.6 | 0 | 0 | 0 | 111.3 | L50 T51 C86 T87 | L50-D53 WeakPolarHBondContact O-CA 3.38Å; L50-D53 WeakPolarHBondContact O-CB 3.27Å; L50-D53 PolarHBondContact O-N 3.43Å; T51-D53 PolarHBondContact O-N 3.12Å; D53-C86 CarbonylContact O-C 3.59Å; D53-C86 WeakPolarHBondContact O-CA 3.22Å; D53-T87 WeakPolarHBondContact CB-O 3.39Å; D53-T87 PolarHBondContact O-N 3.07Å; D53-T87 PolarHBondContact O-OG1 3.34Å |
| 54 | Q | 89.5 | Confident | 86 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128 | 175.2 | -63.1 | -179.5 | 31.4 | 0 | 0 | 111.5 | K38 P49 L50 T51 L84 | K38-Q54 VanDerWaalsContact CB-OE1 3.31Å; K38-Q54 HydrophobicContact CD-CB 4.09Å; K38-Q54 VanDerWaalsContact CE-O 3.23Å; K38-Q54 WeakPolarHBondContact CE-O 3.45Å; K38-Q54 HydrophobicContact CG-CB 4.18Å; K38-Q54 PolarHBondContact NZ-O 3.34Å; K38-Q54 PolarHBondContact O-NE2 2.95Å; K38-Q54 PolarHBondContact O-OE1 3.26Å; P49-Q54 HydrophobicContact CB-CG 3.94Å; P49-Q54 HydrophobicContact CG-CG 3.92Å; P49-Q54 PolarHBondContact O-NE2 2.98Å; L50-Q54 PolarHBondContact O-N 2.99Å; T51-Q54 PolarHBondContact O-N 3.44Å; Q54-L84 HydrophobicContact CB-CD1 3.9Å; Q54-L84 HydrophobicContact CG-CD1 3.97Å |
| 55 | R | 89 | Confident | 86.2 | Confident | 120 Ų | 120 | 64.2 Ų | 64.2 | 45% | 0.453 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.5 | 168 | -66.8 | 175.6 | -176.7 | -108.3 | -6.6 | 108.2 | L62 V85 | R55-L62 HydrophobicContact CB-CD1 3.8Å; R55-L62 HydrophobicContact CG-CD1 4.24Å; R55-V85 HydrophobicContact CB-CB 4.2Å; R55-V85 PolarHBondContact N-O 3.25Å; R55-V85 PolarHBondContact O-N 3.43Å |
| 56 | L | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.6 | 178.5 | -69.9 | 170.1 | 0 | 0 | 0 | 109.1 | V34 L37 K38 L41 L63 V82 H83 L84 | V34-L56 HydrophobicContact CG1-CD1 4.12Å; L37-L56 HydrophobicContact CD2-CD1 3.73Å; L37-L56 HydrophobicContact CG-CD1 4.1Å; K38-L56 HydrophobicContact CG-CD1 3.67Å; K38-L56 HydrophobicContact CG-CG 4.31Å; L41-L56 HydrophobicContact CD1-CD1 3.9Å; L41-L56 HydrophobicContact CD1-CD2 3.67Å; L41-L56 HydrophobicContact CD1-CG 4.3Å; L56-L63 HydrophobicContact CB-CB 4.22Å; L56-L63 HydrophobicContact CB-CD1 4.22Å; L56-L63 PolarHBondContact O-N 3.43Å; L56-V82 HydrophobicContact CB-CG1 3.94Å; L56-V82 HydrophobicContact CD2-CG1 3.77Å; L56-V82 HydrophobicContact CG-CG1 4.41Å; L56-H83 WeakPolarHBondContact CA-O 3.48Å; L56-L84 HydrophobicContact CD2-CB 4.13Å; L56-L84 HydrophobicContact CD2-CD1 3.89Å |
| 57 | V | 90.9 | Very high | 86.8 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 119.9 | -178.8 | -178 | 0 | 0 | 0 | 0 | 109.3 | R61 L62 H83 V85 | V57-R61 VanDerWaalsContact CA-O 3.3Å; V57-R61 WeakPolarHBondContact CA-O 3.39Å; V57-L62 HydrophobicContact CG2-CD1 4.21Å; V57-H83 HydrophobicContact CB-CB 4.35Å; V57-H83 PolarHBondContact N-O 3.45Å; V57-H83 PolarHBondContact O-N 2.88Å; V57-V85 HydrophobicContact CG2-CG2 4.5Å |
| 58 | Y | 90.1 | Very high | 87.4 | Confident | 22 Ų | 22 | 71.2 Ų | 71.2 | 9% | 0.086 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.9 | 178 | 171.9 | -105.7 | 0 | 0 | 0 | 108.9 | G60 R61 I72 L73 D77 H80 M81 V82 | Y58-G60 PolarHBondContact O-N 2.79Å; Y58-G60 VanDerWaalsContact O-N 3.13Å; Y58-R61 PolarHBondContact N-O 3.48Å; Y58-R61 PolarHBondContact O-N 2.89Å; Y58-I72 HydrophobicContact CD1-CG2 3.5Å; Y58-I72 VanDerWaalsContact CD1-CG2 3.5Å; Y58-I72 HydrophobicContact CE1-CG2 4.02Å; Y58-I72 VanDerWaalsContact CE1-O 3.32Å; Y58-I72 WeakPolarHBondContact CE1-O 3.39Å; Y58-I72 HydrophobicContact CG-CG2 4.16Å; Y58-L73 HydrophobicContact CD1-CD2 4.48Å; Y58-L73 HydrophobicContact CD2-CD2 4.14Å; Y58-L73 HydrophobicContact CE1-CD2 4.32Å; Y58-L73 HydrophobicContact CE2-CD2 3.99Å; Y58-L73 HydrophobicContact CG-CD2 4.39Å; Y58-D77 PolarHBondContact OH-OD2 3.41Å; Y58-H80 HydrophobicContact CE2-CB 4.03Å; Y58-M81 WeakPolarHBondContact CD2-O 3.39Å; Y58-V82 HydrophobicContact CD2-CG2 4.01Å; Y58-V82 HydrophobicContact CG-CG2 4.48Å |
| 59 | S | 83.4 | Confident | 87.6 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 45 | -177.2 | -52.7 | 0 | 0 | 0 | 0 | 113.5 | R61 | S59-R61 VanDerWaalsContact C-N 3.27Å; S59-R61 PolarHBondContact O-N 3.48Å |
| 60 | G | 83.6 | Confident | 87.7 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 74% | 0.742 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | -4.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y58 | Y58-G60 PolarHBondContact O-N 2.79Å; Y58-G60 VanDerWaalsContact O-N 3.13Å |
| 61 | R | 86.6 | Confident | 87.6 | Confident | 197 Ų | 197 | 68.6 Ų | 68.6 | 74% | 0.743 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.5 | -178.3 | -59.8 | -177.4 | -180 | -166.9 | -1.3 | 111.8 | V57 Y58 S59 L63 | V57-R61 VanDerWaalsContact CA-O 3.3Å; V57-R61 WeakPolarHBondContact CA-O 3.39Å; Y58-R61 PolarHBondContact N-O 3.48Å; Y58-R61 PolarHBondContact O-N 2.89Å; S59-R61 VanDerWaalsContact C-N 3.27Å; S59-R61 PolarHBondContact O-N 3.48Å; R61-L63 PolarHBondContact O-N 3.49Å |
| 62 | L | 89.8 | Confident | 87.4 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 126.2 | 171.8 | 179.3 | 67.6 | 0 | 0 | 0 | 110.1 | R55 V57 P64 | R55-L62 HydrophobicContact CB-CD1 3.8Å; R55-L62 HydrophobicContact CG-CD1 4.24Å; V57-L62 HydrophobicContact CG2-CD1 4.21Å; L62-P64 WeakPolarHBondContact O-CD 3.25Å |
| 63 | L | 89.9 | Confident | 87.4 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.6 | -178.5 | -57.5 | -175.8 | 0 | 0 | 0 | 111.1 | V34 L56 R61 I72 V82 | V34-L63 HydrophobicContact CG1-CB 3.94Å; V34-L63 HydrophobicContact CG2-CB 3.97Å; V34-L63 HydrophobicContact CG2-CD1 4.47Å; L56-L63 HydrophobicContact CB-CB 4.22Å; L56-L63 HydrophobicContact CB-CD1 4.22Å; L56-L63 PolarHBondContact O-N 3.43Å; R61-L63 PolarHBondContact O-N 3.49Å; L63-I72 HydrophobicContact CD1-CD1 4.28Å; L63-I72 HydrophobicContact CD1-CG2 4.18Å; L63-I72 HydrophobicContact CD2-CD1 3.98Å; L63-I72 HydrophobicContact CD2-CG1 4.18Å; L63-I72 HydrophobicContact CD2-CG2 3.6Å; L63-V82 HydrophobicContact CD1-CG1 4.49Å |
| 64 | P | 89.6 | Confident | 86.9 | Confident | 51 Ų | 51 | 69.7 Ų | 69.7 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 148.4 | 177.5 | 35.8 | -33.9 | 0 | 0 | 0 | 111.9 | V34 L62 H66 L67 | V34-P64 WeakPolarHBondContact CB-O 3.47Å; L62-P64 WeakPolarHBondContact O-CD 3.25Å; P64-H66 PolarHBondContact O-N 3.38Å; P64-L67 HydrophobicContact CG-CB 4.13Å; P64-L67 HydrophobicContact CG-CD2 4.44Å; P64-L67 WeakPolarHBondContact O-CB 3.44Å; P64-L67 PolarHBondContact O-N 2.95Å; P64-L67 VanDerWaalsContact O-N 3.08Å |
| 65 | D | 88.9 | Confident | 85.9 | Confident | 82 Ų | 82 | 78.1 Ų | 78.1 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.7 | -165.2 | -60.5 | -12.7 | 0 | 0 | 0 | 115.5 | G35 K38 | G35-D65 PolarHBondContact N-O 3.45Å; K38-D65 WeakPolarHBondContact CD-OD1 3.42Å; K38-D65 WeakPolarHBondContact CE-OD1 3.49Å; K38-D65 IonicContact NZ-OD1 3.69Å; K38-D65 PolarHBondContact NZ-OD1 3.02Å |
| 66 | H | 87.1 | Confident | 84.6 | Confident | 150 Ų | 150 | 81 Ų | 81 | 69% | 0.694 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.5 | -178.9 | 60.1 | -106.8 | 0 | 0 | 0 | 114.1 | P64 | P64-H66 PolarHBondContact O-N 3.38Š|
| 67 | L | 89.3 | Confident | 83.7 | Confident | 58 Ų | 58 | 83.9 Ų | 83.9 | 30% | 0.304 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -77.9 | 145.4 | -174.9 | -167.1 | 58.7 | 0 | 0 | 0 | 110.4 | T33 V34 P64 D71 I72 | T33-L67 CarbonylContact C-O 3.56Å; T33-L67 WeakPolarHBondContact CA-O 3.49Å; V34-L67 HydrophobicContact CG2-CB 4.42Å; V34-L67 WeakPolarHBondContact CG2-O 3.29Å; V34-L67 PolarHBondContact N-O 3.46Å; P64-L67 HydrophobicContact CG-CB 4.13Å; P64-L67 HydrophobicContact CG-CD2 4.44Å; P64-L67 WeakPolarHBondContact O-CB 3.44Å; P64-L67 PolarHBondContact O-N 2.95Å; P64-L67 VanDerWaalsContact O-N 3.08Å; L67-D71 HydrophobicContact CD1-CB 4.27Å; L67-I72 HydrophobicContact CB-CD1 4.14Å; L67-I72 HydrophobicContact CD2-CD1 3.75Å; L67-I72 HydrophobicContact CD2-CG1 3.47Å; L67-I72 VanDerWaalsContact CD2-CG1 3.47Å; L67-I72 HydrophobicContact CG-CD1 3.73Å; L67-I72 HydrophobicContact CG-CG1 3.69Å |
| 68 | Q | 90.3 | Very high | 82.7 | Confident | 66 Ų | 66 | 90.3 Ų | 90.3 | 31% | 0.308 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -93.8 | 144 | -179.4 | -54.7 | -175.2 | 3.8 | 0 | 0 | 110.7 | W32 T33 K70 D71 I72 | W32-Q68 WeakPolarHBondContact O-CA 3.4Å; T33-Q68 HydrophobicContact CG2-CG 4.28Å; Q68-K70 HydrophobicContact CB-CD 4.43Å; Q68-K70 HydrophobicContact CB-CG 4.23Å; Q68-K70 PolarHBondContact O-N 3.31Å; Q68-D71 WeakPolarHBondContact CB-OD2 3.29Å; Q68-D71 PolarHBondContact O-N 2.96Å; Q68-I72 WeakPolarHBondContact O-CD1 3.27Å |
| 69 | L | 86.3 | Confident | 82.2 | Confident | 4 Ų | 4 | 95.5 Ų | 95.5 | 2% | 0.021 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -57.9 | -37.5 | -177.7 | -92.5 | 62.3 | 0 | 0 | 0 | 112 | C28 W32 V34 L37 D71 I72 L73 | C28-L69 HydrophobicContact CB-CD2 4.22Å; C28-L69 VanDerWaalsContact SG-CD2 3.51Å; W32-L69 WeakPolarHBondContact O-CD1 3.48Å; W32-L69 PolarHBondContact O-N 3.34Å; V34-L69 HydrophobicContact CG2-CD1 4.19Å; L37-L69 HydrophobicContact CB-CD1 4.34Å; L37-L69 HydrophobicContact CD2-CD1 4.24Å; L37-L69 HydrophobicContact CD2-CD2 4.36Å; L69-D71 PolarHBondContact O-N 2.84Å; L69-D71 VanDerWaalsContact O-N 3.16Å; L69-I72 PolarHBondContact O-N 3.3Å; L69-I72 VanDerWaalsContact O-N 3.09Å; L69-L73 HydrophobicContact CB-CD1 4.08Å; L69-L73 HydrophobicContact CB-CG 4.45Å; L69-L73 HydrophobicContact CD2-CD1 4.15Å; L69-L73 HydrophobicContact CG-CD1 4.05Å; L69-L73 WeakPolarHBondContact O-CB 3.48Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 3.23Å |
| 70 | K | 84.4 | Confident | 82.4 | Confident | 99 Ų | 99 | 91.2 Ų | 91.2 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -57 | -26 | 175.7 | 83.1 | -166.9 | -170.7 | -164.2 | 0 | 115 | L30 Q68 | L30-K70 HydrophobicContact CB-CB 3.93Å; L30-K70 WeakPolarHBondContact O-CB 3.48Å; L30-K70 PolarHBondContact O-N 2.9Å; Q68-K70 HydrophobicContact CB-CD 4.43Å; Q68-K70 HydrophobicContact CB-CG 4.23Å; Q68-K70 PolarHBondContact O-N 3.31Å |
| 71 | D | 83.5 | Confident | 82.6 | Confident | 101 Ų | 101 | 91.6 Ų | 91.6 | 54% | 0.54 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -94.7 | -7.7 | -176.1 | -53.7 | -43.6 | 0 | 0 | 0 | 111.3 | L67 Q68 L69 | L67-D71 HydrophobicContact CD1-CB 4.27Å; Q68-D71 WeakPolarHBondContact CB-OD2 3.29Å; Q68-D71 PolarHBondContact O-N 2.96Å; L69-D71 PolarHBondContact O-N 2.84Å; L69-D71 VanDerWaalsContact O-N 3.16Å |
| 72 | I | 83.5 | Confident | 82.8 | Confident | 25 Ų | 25 | 82.2 Ų | 82.2 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -53 | -177.8 | -59.6 | 159 | 0 | 0 | 0 | 110.2 | V34 Y58 L63 L67 Q68 L69 | V34-I72 HydrophobicContact CG2-CD1 3.52Å; Y58-I72 HydrophobicContact CD1-CG2 3.5Å; Y58-I72 VanDerWaalsContact CD1-CG2 3.5Å; Y58-I72 HydrophobicContact CE1-CG2 4.02Å; Y58-I72 VanDerWaalsContact CE1-O 3.32Å; Y58-I72 WeakPolarHBondContact CE1-O 3.39Å; Y58-I72 HydrophobicContact CG-CG2 4.16Å; L63-I72 HydrophobicContact CD1-CD1 4.28Å; L63-I72 HydrophobicContact CD1-CG2 4.18Å; L63-I72 HydrophobicContact CD2-CD1 3.98Å; L63-I72 HydrophobicContact CD2-CG1 4.18Å; L63-I72 HydrophobicContact CD2-CG2 3.6Å; L67-I72 HydrophobicContact CB-CD1 4.14Å; L67-I72 HydrophobicContact CD2-CD1 3.75Å; L67-I72 HydrophobicContact CD2-CG1 3.47Å; L67-I72 VanDerWaalsContact CD2-CG1 3.47Å; L67-I72 HydrophobicContact CG-CD1 3.73Å; L67-I72 HydrophobicContact CG-CG1 3.69Å; Q68-I72 WeakPolarHBondContact O-CD1 3.27Å; L69-I72 PolarHBondContact O-N 3.3Å; L69-I72 VanDerWaalsContact O-N 3.09Å |
| 73 | L | 82.8 | Confident | 82.8 | Confident | 7 Ų | 7 | 81.3 Ų | 81.3 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -83.8 | 122.6 | -171.1 | -55.3 | -176.1 | 0 | 0 | 0 | 109.4 | V10 L12 L30 Y58 L69 K75 H80 | V10-L73 HydrophobicContact CG1-CD1 4.32Å; L12-L73 HydrophobicContact CD1-CD1 4.03Å; L12-L73 HydrophobicContact CD1-CD2 4.22Å; L30-L73 HydrophobicContact CD2-CB 4.15Å; L30-L73 HydrophobicContact CD2-CD1 4.14Å; Y58-L73 HydrophobicContact CD1-CD2 4.48Å; Y58-L73 HydrophobicContact CD2-CD2 4.14Å; Y58-L73 HydrophobicContact CE1-CD2 4.32Å; Y58-L73 HydrophobicContact CE2-CD2 3.99Å; Y58-L73 HydrophobicContact CG-CD2 4.39Å; L69-L73 HydrophobicContact CB-CD1 4.08Å; L69-L73 HydrophobicContact CB-CG 4.45Å; L69-L73 HydrophobicContact CD2-CD1 4.15Å; L69-L73 HydrophobicContact CG-CD1 4.05Å; L69-L73 WeakPolarHBondContact O-CB 3.48Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 3.23Å; L73-K75 PolarHBondContact O-N 3.14Å; L73-H80 HydrophobicContact CD2-CB 3.83Å |
| 74 | R | 76.5 | Confident | 82.8 | Confident | 171 Ų | 171 | 80.8 Ų | 80.8 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | trans | -69.5 | 127.8 | 178.2 | -65.7 | 177.6 | 170.3 | -172.8 | -3.8 | 109.5 | Q76 D77 H80 | R74-Q76 PolarHBondContact O-N 3.02Å; R74-D77 PolarHBondContact O-N 3.44Å; R74-H80 PolarHBondContact O-NE2 3.17Å | ||
| 75 | K | 67.1 | Low | 82.7 | Confident | 178 Ų | 178 | 80.7 Ų | 80.7 | 77% | 0.774 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -3.6 | 178.5 | -67.4 | -172.6 | 176.1 | -175.1 | 0 | 115.2 | L73 | L73-K75 PolarHBondContact O-N 3.14Š|
| 76 | Q | 61.5 | Low | 82.5 | Confident | 181 Ų | 181 | 79.5 Ų | 79.5 | 85% | 0.846 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -21 | -179.6 | -70.5 | 173.1 | -50.7 | 0 | 0 | 112.6 | R74 | R74-Q76 PolarHBondContact O-N 3.02Š|
| 77 | D | 72.5 | Confident | 82 | Confident | 60 Ų | 60 | 74.5 Ų | 74.5 | 32% | 0.321 | 35% | 0.352 | S | S | . | . | trans | -90 | 128.3 | -179.7 | -23 | -35.8 | 0 | 0 | 0 | 109 | Y58 R74 Y79 H80 | Y58-D77 PolarHBondContact OH-OD2 3.41Å; R74-D77 PolarHBondContact O-N 3.44Å; D77-Y79 VanDerWaalsContact C-N 3.31Å; D77-H80 PolarHBondContact O-CE1 3.27Å; D77-H80 PolarHBondContact O-NE2 3.5Å; D77-H80 IonicContact OD2-CD2 3.37Å; D77-H80 PolarHBondContact OD2-CD2 3.09Å; D77-H80 VanDerWaalsContact OD2-CD2 3.24Å; D77-H80 IonicContact OD2-NE2 2.71Å; D77-H80 PolarHBondContact OD2-NE2 3.03Å | ||
| 78 | E | 71.2 | Confident | 80.5 | Confident | 169 Ų | 169 | 77.3 Ų | 77.3 | 79% | 0.79 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -72.3 | -27.6 | 178.3 | -174.2 | 176 | 176.5 | 0 | 0 | 112.4 | ||
| 79 | Y | 78.8 | Confident | 78.9 | Confident | 130 Ų | 130 | 83.8 Ų | 83.8 | 51% | 0.51 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 141 | 177.2 | 62.4 | -91.4 | 0 | 0 | 0 | 111.1 | T11 I13 D77 | T11-Y79 WeakPolarHBondContact O-CA 3.23Å; I13-Y79 HydrophobicContact CD1-CD2 3.89Å; I13-Y79 HydrophobicContact CD1-CG 4.23Å; D77-Y79 VanDerWaalsContact C-N 3.31Å |
| 80 | H | 87.5 | Confident | 76.9 | Confident | 5 Ų | 5 | 89.4 Ų | 89.4 | 2% | 0.023 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.4 | -179.1 | -58.1 | 98.8 | 0 | 0 | 0 | 111.1 | V10 T11 L12 I13 Y58 L73 R74 D77 | V10-H80 VanDerWaalsContact CG1-CE1 3.46Å; V10-H80 WeakPolarHBondContact CG1-CE1 3.47Å; V10-H80 WeakPolarHBondContact CG1-ND1 3.46Å; T11-H80 PolarHBondContact O-N 2.84Å; L12-H80 HydrophobicContact CD1-CB 3.75Å; I13-H80 PolarHBondContact N-O 3.47Å; Y58-H80 HydrophobicContact CE2-CB 4.03Å; L73-H80 HydrophobicContact CD2-CB 3.83Å; R74-H80 PolarHBondContact O-NE2 3.17Å; D77-H80 PolarHBondContact O-CE1 3.27Å; D77-H80 PolarHBondContact O-NE2 3.5Å; D77-H80 IonicContact OD2-CD2 3.37Å; D77-H80 PolarHBondContact OD2-CD2 3.09Å; D77-H80 VanDerWaalsContact OD2-CD2 3.24Å; D77-H80 IonicContact OD2-NE2 2.71Å; D77-H80 PolarHBondContact OD2-NE2 3.03Å |
| 81 | M | 88 | Confident | 74.9 | Confident | 79 Ų | 79 | 90.1 Ų | 90.1 | 39% | 0.389 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 119.4 | -177.8 | -166.9 | -179 | -59.6 | 0 | 0 | 112 | K15 Y58 | K15-M81 HydrophobicContact CD-CG 4.15Å; K15-M81 HydrophobicContact CD-SD 3.73Å; K15-M81 WeakPolarHBondContact CE-SD 3.11Å; K15-M81 HydrophobicContact CG-CG 3.98Å; K15-M81 HydrophobicContact CG-SD 4.24Å; Y58-M81 WeakPolarHBondContact CD2-O 3.39Å |
| 82 | V | 90.8 | Very high | 73.1 | Confident | 1 Ų | 1 | 90.6 Ų | 90.6 | 1% | 0.006 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.4 | -179.2 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | L12 I13 I14 K15 L56 Y58 L63 | L12-V82 HydrophobicContact CD1-CG2 3.51Å; L12-V82 HydrophobicContact CD2-CG2 4.38Å; L12-V82 HydrophobicContact CG-CG2 4.03Å; I13-V82 PolarHBondContact O-N 3.13Å; I14-V82 WeakPolarHBondContact CA-O 3.41Å; I14-V82 HydrophobicContact CD1-CB 4.19Å; K15-V82 PolarHBondContact N-O 2.88Å; L56-V82 HydrophobicContact CB-CG1 3.94Å; L56-V82 HydrophobicContact CD2-CG1 3.77Å; L56-V82 HydrophobicContact CG-CG1 4.41Å; Y58-V82 HydrophobicContact CD2-CG2 4.01Å; Y58-V82 HydrophobicContact CG-CG2 4.48Å; L63-V82 HydrophobicContact CD1-CG1 4.49Å |
| 83 | H | 90.4 | Very high | 71.2 | Confident | 78 Ų | 78 | 94.8 Ų | 94.8 | 36% | 0.361 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 125.8 | 175 | -63 | -93.9 | 0 | 0 | 0 | 111 | K15 L56 V57 | K15-H83 CarbonylContact O-C 3.56Å; K15-H83 VanDerWaalsContact O-CA 3.25Å; K15-H83 WeakPolarHBondContact O-CA 3.26Å; L56-H83 WeakPolarHBondContact CA-O 3.48Å; V57-H83 HydrophobicContact CB-CB 4.35Å; V57-H83 PolarHBondContact N-O 3.45Å; V57-H83 PolarHBondContact O-N 2.88Å |
| 84 | L | 89.4 | Confident | 69.1 | Low | 2 Ų | 2 | 99.1 Ų | 99.1 | 1% | 0.01 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 98.4 | 176.1 | 173.1 | 56.2 | 0 | 0 | 0 | 110.2 | I14 K15 P17 L41 Y45 P49 Q54 L56 | I14-L84 HydrophobicContact CG2-CB 3.56Å; I14-L84 HydrophobicContact CG2-CD2 3.9Å; I14-L84 HydrophobicContact CG2-CG 4.4Å; K15-L84 PolarHBondContact O-N 3.44Å; P17-L84 WeakPolarHBondContact CD-O 3.41Å; L41-L84 HydrophobicContact CD2-CD2 4.48Å; Y45-L84 HydrophobicContact CD1-CD2 4.17Å; Y45-L84 HydrophobicContact CD2-CD2 4.16Å; Y45-L84 HydrophobicContact CE1-CD2 4.4Å; Y45-L84 HydrophobicContact CE2-CD2 4.4Å; Y45-L84 HydrophobicContact CG-CD2 4.06Å; P49-L84 HydrophobicContact CG-CD2 4.27Å; Q54-L84 HydrophobicContact CB-CD1 3.9Å; Q54-L84 HydrophobicContact CG-CD1 3.97Å; L56-L84 HydrophobicContact CD2-CB 4.13Å; L56-L84 HydrophobicContact CD2-CD1 3.89Å |
| 85 | V | 87.6 | Confident | 67.5 | Low | 49 Ų | 49 | 96.7 Ų | 96.7 | 30% | 0.297 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 119.8 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | P17 R55 V57 | P17-V85 HydrophobicContact CG-CG2 4.14Å; R55-V85 HydrophobicContact CB-CB 4.2Å; R55-V85 PolarHBondContact N-O 3.25Å; R55-V85 PolarHBondContact O-N 3.43Å; V57-V85 HydrophobicContact CG2-CG2 4.5Å |
| 86 | C | 83.4 | Confident | 66.3 | Low | 57 Ų | 57 | 98 Ų | 98 | 39% | 0.385 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 105.2 | 179 | -62 | 0 | 0 | 0 | 0 | 110 | P49 D53 S88 | P49-C86 HydrophobicContact CB-CB 4.4Å; P49-C86 WeakPolarHBondContact CB-SG 3.16Å; D53-C86 CarbonylContact O-C 3.59Å; D53-C86 WeakPolarHBondContact O-CA 3.22Å; C86-S88 PolarHBondContact O-N 3.34Å |
| 87 | T | 77.6 | Confident | 64.9 | Low | 45 Ų | 45 | 94.2 Ų | 94.2 | 28% | 0.276 | 52% | 0.524 | S | S | . | . | trans | -85.8 | 95.1 | 176.6 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | D53 R89 | D53-T87 WeakPolarHBondContact CB-O 3.39Å; D53-T87 PolarHBondContact O-N 3.07Å; D53-T87 PolarHBondContact O-OG1 3.34Å; T87-R89 PolarHBondContact O-N 3.45Å | ||
| 88 | S | 57.9 | Low | 63.5 | Low | 116 Ų | 116 | 97 Ų | 97 | 81% | 0.811 | 55% | 0.548 | S | S | * | . | trans | -62 | 93 | 179.9 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | C86 | C86-S88 PolarHBondContact O-N 3.34Š| ||
| 89 | R | 55.8 | Low | 61.6 | Low | 203 Ų | 203 | 95 Ų | 95 | 77% | 0.766 | 55% | 0.548 | S | S | * | . | trans | -129 | 88.1 | 172.5 | -78.4 | -171.7 | 175.5 | -107 | 3.8 | 111.7 | K52 T87 | K52-R89 WeakPolarHBondContact CE-O 3.38Å; K52-R89 PolarHBondContact NZ-O 2.98Å; T87-R89 PolarHBondContact O-N 3.45Å | ||
| 90 | T | 44.2 | Very low | 59.5 | Low | 121 Ų | 121 | 95.9 Ų | 95.9 | 74% | 0.742 | 56% | 0.561 | S | S | * | * | trans | -102.1 | 154.1 | 159.1 | 44.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 91 | P | 43 | Very low | 57.4 | Low | 115 Ų | 115 | 106.2 Ų | 106.2 | 75% | 0.747 | 60% | 0.6 | S | S | * | * | cis | -102.8 | 178.3 | -9 | 38.9 | -29.1 | 0 | 0 | 0 | 112.3 | ||||
| 92 | P | 45.9 | Very low | 54.9 | Low | 111 Ų | 111 | 111.1 Ų | 111.1 | 72% | 0.721 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 172.5 | 178.2 | 32.2 | -36.9 | 0 | 0 | 0 | 114 | ||
| 93 | S | 42.2 | Very low | 52.2 | Low | 112 Ų | 112 | 115.7 Ų | 115.7 | 78% | 0.783 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -53 | 146.2 | 175.2 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 94 | S | 39.7 | Very low | 49.7 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 69% | 0.685 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 143.5 | 175.8 | 46.9 | 0 | 0 | 0 | 0 | 112.6 | K96 | S94-K96 PolarHBondContact O-N 3.14Š|
| 95 | P | 42.9 | Very low | 47.1 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 130.3 | 174.4 | 28.9 | -33.6 | 0 | 0 | 0 | 110.4 | S97 | P95-S97 PolarHBondContact O-N 2.86Š|
| 96 | K | 42.6 | Very low | 44.5 | Very low | 207 Ų | 207 | 131.2 Ų | 131.2 | 90% | 0.9 | 73% | 0.728 | S | S | * | * | trans | -73.6 | 99.7 | 163.8 | -70.5 | 179.9 | 178.7 | 178.3 | 0 | 108.6 | S94 S98 | S94-K96 PolarHBondContact O-N 3.14Å; K96-S98 PolarHBondContact O-N 2.82Å | ||
| 97 | S | 31.9 | Very low | 42.2 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | -81 | 97.5 | 167.4 | 55 | 0 | 0 | 0 | 0 | 110.1 | P95 T99 | P95-S97 PolarHBondContact O-N 2.86Å; S97-T99 PolarHBondContact O-N 3.41Å; S97-T99 VanDerWaalsContact O-N 3.09Å | ||
| 98 | S | 42.6 | Very low | 40 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -69.8 | 93.3 | 163.1 | 52.5 | 0 | 0 | 0 | 0 | 109.6 | K96 | K96-S98 PolarHBondContact O-N 2.82Š| ||
| 99 | T | 32.2 | Very low | 38.8 | Very low | 128 Ų | 128 | 138 Ų | 138 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 120.3 | 172.8 | -58 | 0 | 0 | 0 | 0 | 109.6 | S97 | S97-T99 PolarHBondContact O-N 3.41Å; S97-T99 VanDerWaalsContact O-N 3.09Å |
| 100 | N | 33.6 | Very low | 37.8 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 162.2 | 179.5 | -169.6 | 21.2 | 0 | 0 | 0 | 111.9 | E102 | N100-E102 PolarHBondContact O-N 3.46Š|
| 101 | R | 43 | Very low | 37.3 | Very low | 222 Ų | 222 | 133.2 Ų | 133.2 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.3 | 160.7 | -82.2 | 172.6 | 152.5 | 150.4 | -9 | 109.8 | ||
| 102 | E | 35.3 | Very low | 37 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -136.4 | 174.1 | 141.6 | -160.3 | 85.2 | 113.5 | 0 | 0 | 105.8 | N100 | N100-E102 PolarHBondContact O-N 3.46Š| ||
| 103 | S | 35.3 | Very low | 36.5 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | -150.3 | 164.5 | -171.6 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 104 | R | 36.9 | Very low | 36.2 | Very low | 213 Ų | 213 | 133.6 Ų | 133.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 75.6 | 156.6 | 173 | -47.2 | -171.7 | -174.9 | -162.9 | 2 | 114.3 | ||||
| 105 | E | 34.8 | Very low | 36 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | -167 | 149.7 | -22.8 | -105.5 | 143.2 | -150.7 | 0 | 0 | 105.5 | ||||
| 106 | A | 33 | Very low | 35.5 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -167.5 | -176.5 | -15.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 107 | L | 34.8 | Very low | 35.1 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | 71.5 | 154.6 | 170.3 | -53.2 | 168.8 | 0 | 0 | 0 | 116.8 | ||||
| 108 | A | 32.7 | Very low | 35.2 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | cis | -170.3 | 153.6 | -30.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 109 | S | 32.8 | Very low | 34.6 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 136.8 | 129.9 | 138.7 | -60.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 110 | S | 34.5 | Very low | 34.5 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 55.9 | 136.3 | 153.2 | 47.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 111 | S | 34.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -168 | 160.6 | -5 | 43.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 112 | N | 35.9 | Very low | 33.9 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -17 | 157.8 | 159.3 | -60.9 | 28.1 | 0 | 0 | 0 | 118.8 | ||||
| 113 | S | 36.2 | Very low | 34.6 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | -170.9 | -171.6 | -13.9 | 57.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 114 | S | 34.6 | Very low | 34.2 | Very low | 93 Ų | 93 | 124.1 Ų | 124.1 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | cis | -143.9 | 171 | 9.1 | -38 | 0 | 0 | 0 | 0 | 109 | ||||
| 115 | S | 35.5 | Very low | 33.8 | Very low | 96 Ų | 96 | 118.4 Ų | 118.4 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | 59.7 | 132.1 | 70.8 | 112 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 116 | D | 33 | Very low | 33.6 | Very low | 132 Ų | 132 | 115.1 Ų | 115.1 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -138.4 | -171.4 | 7.8 | -77.3 | -67.4 | 0 | 0 | 0 | 110 | ||||
| 117 | H | 35.6 | Very low | 33.6 | Very low | 181 Ų | 181 | 120 Ų | 120 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | cis | -159.2 | 163.6 | 23.9 | 16.6 | -90.1 | 0 | 0 | 0 | 114.2 | ||||
| 118 | S | 33.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 90% | 0.895 | 76% | 0.757 | S | S | * | * | trans | -67.6 | 168.6 | -178.8 | -49 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 119 | G | 29.7 | Very low | 33.1 | Very low | 71 Ų | 71 | 122.7 Ų | 122.7 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | cis | 146.9 | 162.8 | -10.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 120 | S | 30.2 | Very low | 32.9 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 78.8 | 159.2 | 160.6 | -146.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 121 | T | 29.8 | Very low | 32.6 | Very low | 129 Ų | 129 | 123 Ų | 123 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 71.8 | 132.1 | 165.6 | 51.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 122 | T | 33.9 | Very low | 32.3 | Very low | 134 Ų | 134 | 126 Ų | 126 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -121.9 | -175.4 | 160.6 | 60.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 123 | P | 49.4 | Very low | 31.9 | Very low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | cis | -136.3 | -156.7 | 1.3 | 43.8 | -24.3 | 0 | 0 | 0 | 114.6 | ||||
| 124 | S | 27.7 | Very low | 31.7 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 82.2 | 150.3 | 172.1 | -120.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 125 | S | 29 | Very low | 31.5 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | cis | -151.6 | 145.1 | 4.6 | -164.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 126 | S | 28.9 | Very low | 31.2 | Very low | 91 Ų | 91 | 124.4 Ų | 124.4 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | 38.4 | 123.7 | 144.2 | 61.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 127 | Q | 32.6 | Very low | 31 | Very low | 184 Ų | 184 | 123.1 Ų | 123.1 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | -170.9 | 128.7 | 116.2 | -96.3 | 165.1 | 7.7 | 0 | 0 | 108.6 | |||||
| 128 | E | 29.8 | Very low | 30.8 | Very low | 163 Ų | 163 | 120.4 Ų | 120.4 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | 73.1 | 137.3 | 65.1 | -62.7 | -52.3 | 93.1 | 0 | 0 | 116 | |||||
| 129 | M | 27.2 | Very low | 30.9 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | -161.4 | 145.7 | -59.4 | 175.7 | 159.3 | 179.4 | 0 | 0 | 110.1 | |||||
| 130 | L | 30.1 | Very low | 31.1 | Very low | 135 Ų | 135 | 123 Ų | 123 | 71% | 0.707 | 78% | 0.784 | S | S | * | * | trans | 39.9 | 109.3 | 164.9 | -70.1 | 172 | 0 | 0 | 0 | 121.5 | ||||
| 131 | S | 27.7 | Very low | 31.5 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | 75.2 | 139.2 | 117.6 | -60.1 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 132 | L | 28.2 | Very low | 31.8 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | 71.7 | 109 | 147.3 | -70.2 | 160.9 | 0 | 0 | 0 | 121.4 | ||||
| 133 | A | 27 | Very low | 31.9 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | -171.8 | 165 | 127.6 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 134 | A | 32.4 | Very low | 31.1 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -133 | 153.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 135 | G | 29.2 | Very low | 31.2 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 179.4 | 88 | 179.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 136 | S | 30.7 | Very low | 31.7 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 48.3 | 118.3 | 139.9 | -140.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 137 | S | 28.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | 56.9 | 118.8 | 127.1 | 66.4 | 0 | 0 | 0 | 0 | 124 | |||||
| 138 | S | 31.6 | Very low | 32.1 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | 166.6 | 162.5 | 133.3 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 139 | E | 35.1 | Very low | 32.2 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | -159.8 | 134 | -75 | -179.3 | 177.3 | 157 | 0 | 0 | 109.8 | |||||
| 140 | G | 33 | Very low | 32.3 | Very low | 68 Ų | 68 | 138.6 Ų | 138.6 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | 76.4 | 161.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 141 | L | 39.2 | Very low | 32.4 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | cis | -167.2 | 125.6 | -11.7 | -131.6 | 176.4 | 0 | 0 | 0 | 111 | ||||
| 142 | R | 36.6 | Very low | 32.5 | Very low | 236 Ų | 236 | 141 Ų | 141 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | 175 | 115.6 | 142.6 | -97.2 | 157 | -172.2 | 179.7 | 3.7 | 114.5 | ||||
| 143 | Q | 36 | Very low | 32.7 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | 0.2 | 153.8 | 143 | -67.9 | 149.2 | -3.5 | 0 | 0 | 118.8 | ||||
| 144 | R | 32.5 | Very low | 32.9 | Very low | 221 Ų | 221 | 142.4 Ų | 142.4 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | cis | 159.8 | 135.9 | -3.9 | 159.5 | -170.6 | -91.2 | 170.9 | -7.2 | 104.8 | ||||
| 145 | T | 29.1 | Very low | 33 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | 178.8 | 152.1 | 142 | -76.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 146 | L | 40.2 | Very low | 33 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -132.2 | 135 | -178.6 | -178.8 | 79.4 | 0 | 0 | 0 | 110.3 | ||||
| 147 | P | 39.7 | Very low | 33 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | trans | -115 | 121.8 | 142.1 | 1.2 | 20 | 0 | 0 | 0 | 108.8 | ||||
| 148 | Q | 29.2 | Very low | 33.2 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | 69.3 | 104.1 | 81.2 | -173.1 | 172.2 | -11 | 0 | 0 | 112.3 | |||||
| 149 | A | 32.6 | Very low | 33.3 | Very low | 97 Ų | 97 | 158.7 Ų | 158.7 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83 | 140.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 150 | Q | 29.8 | Very low | 33.7 | Very low | 175 Ų | 175 | 155.2 Ų | 155.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 123.8 | 162.4 | -75.3 | 179.6 | -103.7 | 0 | 0 | 109.3 | ||
| 151 | T | 31.8 | Very low | 33.9 | Very low | 127 Ų | 127 | 162.8 Ų | 162.8 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 128.4 | 160.8 | 50.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 152 | D | 29.1 | Very low | 34 | Very low | 155 Ų | 155 | 162.1 Ų | 162.1 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | -109.3 | 152.8 | 174 | -134.4 | -45.7 | 0 | 0 | 0 | 111.6 | ||||
| 153 | Q | 32.6 | Very low | 34.4 | Very low | 167 Ų | 167 | 160.1 Ų | 160.1 | 78% | 0.78 | 83% | 0.825 | S | S | * | * | trans | -127.7 | 128.9 | -161.3 | -62.1 | -176.6 | 11.7 | 0 | 0 | 114.3 | ||||
| 154 | T | 32.7 | Very low | 34.6 | Very low | 141 Ų | 141 | 161.1 Ų | 161.1 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | trans | -153.3 | 140.5 | 161.5 | 48.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 155 | Q | 32.6 | Very low | 34.6 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | cis | -161.5 | 137.8 | -6.8 | 176.9 | 177.7 | 35.8 | 0 | 0 | 107.3 | ||||
| 156 | S | 29.7 | Very low | 34.9 | Very low | 111 Ų | 111 | 153.5 Ų | 153.5 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -137.5 | 152.6 | 174.5 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 157 | H | 32.1 | Very low | 34.6 | Very low | 190 Ų | 190 | 152.3 Ų | 152.3 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 138.9 | -159.1 | -66.5 | -88.9 | 0 | 0 | 0 | 114.9 | ||
| 158 | Q | 31.5 | Very low | 34.6 | Very low | 183 Ų | 183 | 152.2 Ų | 152.2 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 131.3 | 178 | -174.4 | 176.8 | 25.8 | 0 | 0 | 110.4 | ||
| 159 | F | 33.9 | Very low | 34.8 | Very low | 197 Ų | 197 | 149.6 Ų | 149.6 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 129 | 169.1 | -75.6 | -87 | 0 | 0 | 0 | 110.3 | Y161 | F159-Y161 PolarHBondContact O-N 2.84Š|
| 160 | P | 43.4 | Very low | 34.9 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -96.4 | 81.4 | -172 | 36.2 | -34.6 | 0 | 0 | 0 | 112.9 | ||||
| 161 | Y | 38.2 | Very low | 35 | Very low | 227 Ų | 227 | 153.2 Ų | 153.2 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -156.6 | 67.3 | 166.8 | -123.3 | -71.5 | 0 | 0 | 0 | 115.9 | F159 | F159-Y161 PolarHBondContact O-N 2.84Š| ||
| 162 | V | 41.3 | Very low | 35.5 | Very low | 140 Ų | 140 | 153.2 Ų | 153.2 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -160.8 | 121 | 144.1 | -104.2 | 0 | 0 | 0 | 0 | 110 | Q164 | V162-Q164 PolarHBondContact O-N 2.81Š| ||
| 163 | M | 45.5 | Very low | 36.2 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 96% | 0.956 | 79% | 0.788 | S | S | * | * | trans | -95.6 | 85.4 | 172.6 | 176.6 | 172.2 | 162.8 | 0 | 0 | 108.6 | G165 | M163-G165 PolarHBondContact O-N 3.34Š| ||
| 164 | Q | 39.6 | Very low | 36.3 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -87.1 | 101.3 | -179.8 | -169.1 | 158.4 | 14.4 | 0 | 0 | 110.8 | V162 | V162-Q164 PolarHBondContact O-N 2.81Š| ||
| 165 | G | 31.3 | Very low | 36.8 | Very low | 58 Ų | 58 | 150 Ų | 150 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | trans | -68.7 | 128.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M163 V167 | M163-G165 PolarHBondContact O-N 3.34Å; G165-V167 PolarHBondContact O-N 3.41Å | ||
| 166 | N | 35.6 | Very low | 37.5 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -72.4 | 108.8 | 169.1 | -176.9 | 61.5 | 0 | 0 | 0 | 109.6 | D168 | N166-D168 PolarHBondContact ND2-OD2 2.92Å; N166-D168 VanDerWaalsContact ND2-OD2 3.14Å | ||
| 167 | V | 34.3 | Very low | 38 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | trans | -106.4 | 99.2 | 164.3 | -86.5 | 0 | 0 | 0 | 0 | 108.9 | G165 N169 | G165-V167 PolarHBondContact O-N 3.41Å; V167-N169 PolarHBondContact O-N 2.82Å; V167-N169 VanDerWaalsContact O-N 3.17Å | ||
| 168 | D | 40.3 | Very low | 38.7 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 58% | 0.578 | 78% | 0.779 | S | S | * | * | trans | -56.8 | 113.9 | 166 | -109.5 | -89 | 0 | 0 | 0 | 109.5 | N166 Q170 | N166-D168 PolarHBondContact ND2-OD2 2.92Å; N166-D168 VanDerWaalsContact ND2-OD2 3.14Å; D168-Q170 PolarHBondContact OD1-NE2 3.25Å | ||
| 169 | N | 32.3 | Very low | 39.3 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | trans | -144 | 63.8 | 170.9 | -152.5 | 105.3 | 0 | 0 | 0 | 111.6 | V167 F171 | V167-N169 PolarHBondContact O-N 2.82Å; V167-N169 VanDerWaalsContact O-N 3.17Å; N169-F171 WeakPolarHBondContact ND2-CD2 3.3Å; N169-F171 WeakPolarHBondContact ND2-CE2 3.49Å; N169-F171 PolarHBondContact O-N 3.41Å; N169-F171 VanDerWaalsContact O-N 3.15Å | ||
| 170 | Q | 35.5 | Very low | 39.5 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -60.7 | 110.3 | 175.6 | -60.9 | 169.8 | 44.7 | 0 | 0 | 110.4 | D168 | D168-Q170 PolarHBondContact OD1-NE2 3.25Š| ||
| 171 | F | 32.5 | Very low | 39.4 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | -90.3 | 120.3 | 169.7 | -84.7 | -80.1 | 0 | 0 | 0 | 110 | N169 | N169-F171 WeakPolarHBondContact ND2-CD2 3.3Å; N169-F171 WeakPolarHBondContact ND2-CE2 3.49Å; N169-F171 PolarHBondContact O-N 3.41Å; N169-F171 VanDerWaalsContact O-N 3.15Å | ||
| 172 | P | 41.8 | Very low | 39.9 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -82.7 | 138 | -178.8 | 32.3 | -33.9 | 0 | 0 | 0 | 112.2 | ||||
| 173 | G | 42.8 | Very low | 40.2 | Very low | 61 Ų | 61 | 132.1 Ų | 132.1 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | trans | 109.5 | 74.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 174 | Q | 36.2 | Very low | 40.8 | Very low | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | trans | -139.1 | 124.1 | 135 | -73.2 | -55.5 | -24.8 | 0 | 0 | 108.8 | ||||
| 175 | V | 42.9 | Very low | 41.7 | Very low | 142 Ų | 142 | 123.2 Ų | 123.2 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -98.7 | 101.9 | -179.4 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 176 | A | 46.6 | Very low | 43.1 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | trans | -81.1 | 144.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 177 | P | 40.5 | Very low | 45.3 | Very low | 100 Ų | 100 | 122 Ų | 122 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | trans | -71.9 | 144.4 | -175 | 28.6 | -35.2 | 0 | 0 | 0 | 112.8 | G179 | P177-G179 PolarHBondContact O-N 2.95Š| ||
| 178 | P | 46.3 | Very low | 47.4 | Very low | 139 Ų | 139 | 121.3 Ų | 121.3 | 90% | 0.903 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 109.8 | 176.7 | 30.3 | -33.3 | 0 | 0 | 0 | 110.3 | ||
| 179 | G | 43.6 | Very low | 49.5 | Very low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 177.7 | -23.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | P177 | P177-G179 PolarHBondContact O-N 2.95Š|
| 180 | F | 39.9 | Very low | 51.9 | Low | 176 Ų | 176 | 121.2 Ų | 121.2 | 77% | 0.772 | 70% | 0.703 | S | S | * | * | trans | -109.4 | 130 | -179.8 | -62.4 | -77.3 | 0 | 0 | 0 | 111.5 | V182 | F180-V182 PolarHBondContact O-N 3.41Å; F180-V182 VanDerWaalsContact O-N 3.1Å | ||
| 181 | P | 40.4 | Very low | 54.2 | Low | 95 Ų | 95 | 118.9 Ų | 118.9 | 62% | 0.617 | 69% | 0.694 | S | S | * | * | trans | -67.1 | 109.6 | 164.8 | 28.5 | -31.4 | 0 | 0 | 0 | 108.1 | Y183 | P181-Y183 HydrophobicContact CB-CD2 4.15Å; P181-Y183 HydrophobicContact CB-CE2 4.05Å; P181-Y183 HydrophobicContact CG-CD2 4.1Å; P181-Y183 HydrophobicContact CG-CE2 3.77Å; P181-Y183 PolarHBondContact O-N 3.38Å | ||
| 182 | V | 49.7 | Very low | 56.9 | Low | 138 Ų | 138 | 114.8 Ų | 114.8 | 84% | 0.836 | 68% | 0.68 | S | S | * | * | trans | -70.1 | 83.2 | 164.6 | -178.1 | 0 | 0 | 0 | 0 | 107 | F180 | F180-V182 PolarHBondContact O-N 3.41Å; F180-V182 VanDerWaalsContact O-N 3.1Å | ||
| 183 | Y | 47.3 | Very low | 59.2 | Low | 180 Ų | 180 | 115.1 Ų | 115.1 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | trans | -54 | 131.9 | 161.8 | -78.6 | -89.4 | 0 | 0 | 0 | 107.6 | P181 A185 | P181-Y183 HydrophobicContact CB-CD2 4.15Å; P181-Y183 HydrophobicContact CB-CE2 4.05Å; P181-Y183 HydrophobicContact CG-CD2 4.1Å; P181-Y183 HydrophobicContact CG-CE2 3.77Å; P181-Y183 PolarHBondContact O-N 3.38Å; Y183-A185 PolarHBondContact O-N 3.17Å | ||
| 184 | P | 57.2 | Low | 61.5 | Low | 106 Ų | 106 | 117.8 Ų | 117.8 | 69% | 0.688 | 66% | 0.656 | S | S | * | * | trans | -65.6 | 93.8 | 165.9 | 27.9 | -31.8 | 0 | 0 | 0 | 107 | F186 | P184-F186 CarbonylContact O-C 3.58Å; P184-F186 PolarHBondContact O-N 3.33Å | ||
| 185 | A | 59.4 | Low | 64.1 | Low | 84 Ų | 84 | 114.8 Ų | 114.8 | 69% | 0.694 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -59.1 | -20.2 | -167 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y183 | Y183-A185 PolarHBondContact O-N 3.17Š|
| 186 | F | 60.5 | Low | 66.3 | Low | 119 Ų | 119 | 114.7 Ų | 114.7 | 52% | 0.522 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -129.5 | 138.2 | 165.6 | -64 | -84.7 | 0 | 0 | 0 | 108.8 | P184 Q190 | P184-F186 CarbonylContact O-C 3.58Å; P184-F186 PolarHBondContact O-N 3.33Å; F186-Q190 HydrophobicContact CD1-CG 4.31Å |
| 187 | S | 80.3 | Confident | 68.3 | Low | 53 Ų | 53 | 114 Ų | 114 | 37% | 0.371 | 62% | 0.615 | S | S | . | * | trans | -67.5 | 147.2 | 167.4 | 69.1 | 0 | 0 | 0 | 0 | 109.7 | L189 Q190 M191 | S187-L189 PolarHBondContact O-N 3.31Å; S187-L189 VanDerWaalsContact O-N 3.17Å; S187-Q190 WeakPolarHBondContact O-CB 3.47Å; S187-Q190 PolarHBondContact O-N 2.97Å; S187-Q190 VanDerWaalsContact OG-CB 3.23Å; S187-Q190 WeakPolarHBondContact OG-CB 3.34Å; S187-Q190 PolarHBondContact OG-N 3.31Å; S187-M191 PolarHBondContact O-N 3.24Å | ||
| 188 | P | 79.5 | Confident | 70.9 | Confident | 115 Ų | 115 | 116.5 Ų | 116.5 | 75% | 0.747 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.2 | -29.2 | 178.7 | 22.7 | -32.7 | 0 | 0 | 0 | 112.3 | M191 L192 | P188-M191 PolarHBondContact O-N 3.06Å; P188-L192 WeakPolarHBondContact O-CB 3.44Å; P188-L192 PolarHBondContact O-N 3.38Å |
| 189 | L | 85.1 | Confident | 73.2 | Confident | 137 Ų | 137 | 112.8 Ų | 112.8 | 72% | 0.717 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66 | -39.1 | 173.8 | -160.6 | 77.3 | 0 | 0 | 0 | 112.5 | S187 L192 W193 | S187-L189 PolarHBondContact O-N 3.31Å; S187-L189 VanDerWaalsContact O-N 3.17Å; L189-L192 PolarHBondContact O-N 3.23Å; L189-W193 PolarHBondContact O-N 3.46Å |
| 190 | Q | 81.8 | Confident | 75.4 | Confident | 83 Ų | 83 | 115.3 Ų | 115.3 | 39% | 0.388 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.8 | -35.5 | 177.1 | -174.8 | -179.5 | 15.4 | 0 | 0 | 111.9 | F186 S187 W193 W194 | F186-Q190 HydrophobicContact CD1-CG 4.31Å; S187-Q190 WeakPolarHBondContact O-CB 3.47Å; S187-Q190 PolarHBondContact O-N 2.97Å; S187-Q190 VanDerWaalsContact OG-CB 3.23Å; S187-Q190 WeakPolarHBondContact OG-CB 3.34Å; S187-Q190 PolarHBondContact OG-N 3.31Å; Q190-W193 PolarHBondContact O-N 2.96Å; Q190-W194 PolarHBondContact O-N 3.08Å |
| 191 | M | 84.4 | Confident | 77.7 | Confident | 116 Ų | 116 | 112.1 Ų | 112.1 | 57% | 0.571 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.4 | -42.3 | 171.3 | -168.6 | 68.5 | 176 | 0 | 0 | 111.2 | S187 P188 W194 Q195 | S187-M191 PolarHBondContact O-N 3.24Å; P188-M191 PolarHBondContact O-N 3.06Å; M191-W194 PolarHBondContact O-N 3.33Å; M191-Q195 WeakPolarHBondContact O-CB 3.17Å; M191-Q195 PolarHBondContact O-N 3.34Å |
| 192 | L | 88.7 | Confident | 80.2 | Confident | 97 Ų | 97 | 115.8 Ų | 115.8 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.7 | -42.2 | 175.4 | -174.9 | 64.6 | 0 | 0 | 0 | 112.1 | P188 L189 Q195 Q196 | P188-L192 WeakPolarHBondContact O-CB 3.44Å; P188-L192 PolarHBondContact O-N 3.38Å; L189-L192 PolarHBondContact O-N 3.23Å; L192-Q195 PolarHBondContact O-N 2.64Å; L192-Q196 WeakPolarHBondContact O-CB 3.1Å; L192-Q196 PolarHBondContact O-N 3.29Å |
| 193 | W | 90.7 | Very high | 82.3 | Confident | 136 Ų | 136 | 115.6 Ų | 115.6 | 52% | 0.515 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.3 | -46.5 | 175.1 | -179.8 | 88.6 | 0 | 0 | 0 | 112.1 | L189 Q190 Q195 Q196 M197 | L189-W193 PolarHBondContact O-N 3.46Å; Q190-W193 PolarHBondContact O-N 2.96Å; W193-Q195 PolarHBondContact O-N 3Å; W193-Q196 PolarHBondContact O-N 3.13Å; W193-M197 HydrophobicContact CH2-CE 3.94Å; W193-M197 HydrophobicContact CZ2-CE 3.53Å; W193-M197 WeakPolarHBondContact O-CB 3.31Å; W193-M197 PolarHBondContact O-N 3.24Å |
| 194 | W | 91.3 | Very high | 84.3 | Confident | 116 Ų | 116 | 111.7 Ų | 111.7 | 44% | 0.439 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.2 | -44 | 175.2 | -88.5 | 114.2 | 0 | 0 | 0 | 112.1 | Q190 M191 Q196 M197 Y198 | Q190-W194 PolarHBondContact O-N 3.08Å; M191-W194 PolarHBondContact O-N 3.33Å; W194-Q196 VanDerWaalsContact C-N 3.35Å; W194-Q196 PolarHBondContact O-N 2.72Å; W194-M197 PolarHBondContact O-N 2.83Å; W194-Y198 HydrophobicContact CE3-CD2 4.11Å; W194-Y198 AromaticContact CE3-CE2 3.82Å; W194-Y198 HydrophobicContact CE3-CE2 3.82Å; W194-Y198 HydrophobicContact CZ3-CE2 4.14Å; W194-Y198 WeakPolarHBondContact O-CD2 3.19Å; W194-Y198 PolarHBondContact O-N 3.49Å |
| 195 | Q | 89.4 | Confident | 85.9 | Confident | 129 Ų | 129 | 113.6 Ų | 113.6 | 60% | 0.603 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -41.2 | 177.9 | -170.2 | 177.8 | 99.3 | 0 | 0 | 112 | M191 L192 W193 A199 | M191-Q195 WeakPolarHBondContact O-CB 3.17Å; M191-Q195 PolarHBondContact O-N 3.34Å; L192-Q195 PolarHBondContact O-N 2.64Å; W193-Q195 PolarHBondContact O-N 3Å; Q195-A199 WeakPolarHBondContact O-CB 3.35Å; Q195-A199 PolarHBondContact O-N 2.86Å |
| 196 | Q | 89.4 | Confident | 87.5 | Confident | 139 Ų | 139 | 116.6 Ų | 116.6 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66 | -41.5 | 176.2 | -173.4 | 174 | 0.7 | 0 | 0 | 112 | L192 W193 W194 A199 H200 | L192-Q196 WeakPolarHBondContact O-CB 3.1Å; L192-Q196 PolarHBondContact O-N 3.29Å; W193-Q196 PolarHBondContact O-N 3.13Å; W194-Q196 VanDerWaalsContact C-N 3.35Å; W194-Q196 PolarHBondContact O-N 2.72Å; Q196-A199 PolarHBondContact O-N 3.48Å; Q196-H200 WeakPolarHBondContact O-CB 3.42Å; Q196-H200 PolarHBondContact O-N 2.92Å |
| 197 | M | 88.8 | Confident | 88.9 | Confident | 69 Ų | 69 | 115.1 Ų | 115.1 | 34% | 0.34 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 175.5 | -174.9 | 64.6 | 73.3 | 0 | 0 | 111.5 | W193 W194 H200 Q201 | W193-M197 HydrophobicContact CH2-CE 3.94Å; W193-M197 HydrophobicContact CZ2-CE 3.53Å; W193-M197 WeakPolarHBondContact O-CB 3.31Å; W193-M197 PolarHBondContact O-N 3.24Å; W194-M197 PolarHBondContact O-N 2.83Å; M197-H200 PolarHBondContact O-N 3.42Å; M197-Q201 WeakPolarHBondContact O-CG 3.44Å; M197-Q201 PolarHBondContact O-N 3.24Å |
| 198 | Y | 94.9 | Very high | 89.2 | Confident | 154 Ų | 154 | 115.3 Ų | 115.3 | 60% | 0.604 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 177.4 | -93.7 | -73.8 | 0 | 0 | 0 | 112.7 | W194 H200 Q201 Y202 | W194-Y198 HydrophobicContact CE3-CD2 4.11Å; W194-Y198 AromaticContact CE3-CE2 3.82Å; W194-Y198 HydrophobicContact CE3-CE2 3.82Å; W194-Y198 HydrophobicContact CZ3-CE2 4.14Å; W194-Y198 WeakPolarHBondContact O-CD2 3.19Å; W194-Y198 PolarHBondContact O-N 3.49Å; Y198-H200 VanDerWaalsContact C-N 3.32Å; Y198-H200 PolarHBondContact O-N 2.77Å; Y198-Q201 PolarHBondContact O-N 2.79Å; Y198-Y202 WeakPolarHBondContact O-CB 3.4Å; Y198-Y202 PolarHBondContact O-N 3.47Å |
| 199 | A | 93.9 | Very high | 89.4 | Confident | 61 Ų | 61 | 112 Ų | 112 | 50% | 0.504 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q195 Q196 Y203 | Q195-A199 WeakPolarHBondContact O-CB 3.35Å; Q195-A199 PolarHBondContact O-N 2.86Å; Q196-A199 PolarHBondContact O-N 3.48Å; A199-Y203 WeakPolarHBondContact O-CB 3.42Å; A199-Y203 PolarHBondContact O-N 2.81Å |
| 200 | H | 90.9 | Very high | 89.4 | Confident | 118 Ų | 118 | 108.5 Ų | 108.5 | 55% | 0.546 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 178.2 | -167.1 | -88.4 | 0 | 0 | 0 | 112.5 | Q196 M197 Y198 Y203 M204 | Q196-H200 WeakPolarHBondContact O-CB 3.42Å; Q196-H200 PolarHBondContact O-N 2.92Å; M197-H200 PolarHBondContact O-N 3.42Å; Y198-H200 VanDerWaalsContact C-N 3.32Å; Y198-H200 PolarHBondContact O-N 2.77Å; H200-Y203 PolarHBondContact O-N 2.9Å; H200-M204 WeakPolarHBondContact O-CG 3Å; H200-M204 PolarHBondContact O-N 3.04Å |
| 201 | Q | 88.6 | Confident | 89.2 | Confident | 109 Ų | 109 | 107.9 Ų | 107.9 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 176.7 | -73.3 | -177.6 | -3.1 | 0 | 0 | 112.1 | M197 Y198 Y203 M204 Q205 | M197-Q201 WeakPolarHBondContact O-CG 3.44Å; M197-Q201 PolarHBondContact O-N 3.24Å; Y198-Q201 PolarHBondContact O-N 2.79Å; Q201-Y203 PolarHBondContact O-N 2.97Å; Q201-M204 PolarHBondContact O-N 3.4Å; Q201-Q205 PolarHBondContact O-N 3.48Å |
| 202 | Y | 91.6 | Very high | 88.6 | Confident | 172 Ų | 172 | 105.1 Ų | 105.1 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 178.1 | -166.7 | -94.9 | 0 | 0 | 0 | 112.1 | Y198 Q205 Y206 | Y198-Y202 WeakPolarHBondContact O-CB 3.4Å; Y198-Y202 PolarHBondContact O-N 3.47Å; Y202-Q205 PolarHBondContact O-N 3.46Å; Y202-Y206 WeakPolarHBondContact O-CB 3.46Å; Y202-Y206 PolarHBondContact O-N 2.95Å |
| 203 | Y | 94.8 | Very high | 87.5 | Confident | 135 Ų | 135 | 106.4 Ų | 106.4 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.7 | -173.9 | -102.9 | 0 | 0 | 0 | 112.6 | A199 H200 Q201 Y206 Q207 | A199-Y203 WeakPolarHBondContact O-CB 3.42Å; A199-Y203 PolarHBondContact O-N 2.81Å; H200-Y203 PolarHBondContact O-N 2.9Å; Q201-Y203 PolarHBondContact O-N 2.97Å; Y203-Y206 PolarHBondContact O-N 3.42Å; Y203-Q207 HydrophobicContact CD1-CG 4.4Å; Y203-Q207 HydrophobicContact CE1-CG 4.02Å; Y203-Q207 VanDerWaalsContact CZ-NE2 3.32Å; Y203-Q207 PolarHBondContact O-N 3.25Å; Y203-Q207 PolarHBondContact OH-NE2 2.87Å |
| 204 | M | 89.9 | Confident | 86 | Confident | 97 Ų | 97 | 103.5 Ų | 103.5 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 175.4 | -73.2 | -63.4 | -62.7 | 0 | 0 | 112.1 | H200 Q201 Q207 A208 | H200-M204 WeakPolarHBondContact O-CG 3Å; H200-M204 PolarHBondContact O-N 3.04Å; Q201-M204 PolarHBondContact O-N 3.4Å; M204-Q207 PolarHBondContact O-N 2.86Å; M204-A208 WeakPolarHBondContact O-CB 3.46Å; M204-A208 PolarHBondContact O-N 3.09Å |
| 205 | Q | 89.6 | Confident | 84.2 | Confident | 146 Ų | 146 | 103.1 Ų | 103.1 | 68% | 0.682 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.7 | -38.8 | 177.7 | -168.5 | 174.4 | 26 | 0 | 0 | 111.9 | Q201 Y202 A209 | Q201-Q205 PolarHBondContact O-N 3.48Å; Y202-Q205 PolarHBondContact O-N 3.46Å; Q205-A209 WeakPolarHBondContact O-CB 3.37Å; Q205-A209 PolarHBondContact O-N 3.16Å |
| 206 | Y | 92.9 | Very high | 82.4 | Confident | 147 Ų | 147 | 100.9 Ų | 100.9 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.4 | -45.9 | 174.1 | -178.9 | -98.7 | 0 | 0 | 0 | 112.1 | Y202 Y203 A208 A209 V210 | Y202-Y206 WeakPolarHBondContact O-CB 3.46Å; Y202-Y206 PolarHBondContact O-N 2.95Å; Y203-Y206 PolarHBondContact O-N 3.42Å; Y206-A208 PolarHBondContact O-N 2.81Å; Y206-A209 PolarHBondContact O-N 2.78Å; Y206-V210 HydrophobicContact CD1-CG2 4.21Å; Y206-V210 HydrophobicContact CE1-CG2 3.76Å; Y206-V210 HydrophobicContact CE2-CG2 4.1Å; Y206-V210 WeakPolarHBondContact O-CG2 3.46Å; Y206-V210 PolarHBondContact O-N 2.7Å |
| 207 | Q | 90.3 | Very high | 80.4 | Confident | 89 Ų | 89 | 101.2 Ų | 101.2 | 42% | 0.416 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 175.4 | -78 | -162.4 | -14.3 | 0 | 0 | 111.9 | Y203 M204 A209 V210 S211 | Y203-Q207 HydrophobicContact CD1-CG 4.4Å; Y203-Q207 HydrophobicContact CE1-CG 4.02Å; Y203-Q207 VanDerWaalsContact CZ-NE2 3.32Å; Y203-Q207 PolarHBondContact O-N 3.25Å; Y203-Q207 PolarHBondContact OH-NE2 2.87Å; M204-Q207 PolarHBondContact O-N 2.86Å; Q207-A209 VanDerWaalsContact C-N 3.33Å; Q207-A209 PolarHBondContact O-N 3.33Å; Q207-V210 PolarHBondContact O-N 2.73Å; Q207-V210 VanDerWaalsContact O-N 3.17Å; Q207-S211 PolarHBondContact O-N 3.41Å; Q207-S211 PolarHBondContact O-OG 3.48Å |
| 208 | A | 85.8 | Confident | 78.2 | Confident | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.6 | -39.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M204 Y206 S211 A212 | M204-A208 WeakPolarHBondContact O-CB 3.46Å; M204-A208 PolarHBondContact O-N 3.09Å; Y206-A208 PolarHBondContact O-N 2.81Å; A208-S211 WeakPolarHBondContact CA-OG 3.23Å; A208-S211 PolarHBondContact O-OG 3.22Å; A208-A212 WeakPolarHBondContact O-CB 3.46Å; A208-A212 PolarHBondContact O-N 2.71Å; A208-A212 VanDerWaalsContact O-N 3.09Å |
| 209 | A | 84.1 | Confident | 75.3 | Confident | 45 Ų | 45 | 102.9 Ų | 102.9 | 37% | 0.372 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.5 | -39.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q205 Y206 Q207 Q213 | Q205-A209 WeakPolarHBondContact O-CB 3.37Å; Q205-A209 PolarHBondContact O-N 3.16Å; Y206-A209 PolarHBondContact O-N 2.78Å; Q207-A209 VanDerWaalsContact C-N 3.33Å; Q207-A209 PolarHBondContact O-N 3.33Å; A209-Q213 WeakPolarHBondContact O-CG 3.39Å; A209-Q213 PolarHBondContact O-N 2.94Å; A209-Q213 VanDerWaalsContact O-N 3.15Å; A209-Q213 PolarHBondContact O-NE2 3.28Å |
| 210 | V | 85.2 | Confident | 73.1 | Confident | 64 Ų | 64 | 105.6 Ų | 105.6 | 39% | 0.388 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.9 | -39.8 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | Y206 Q207 Q213 A214 | Y206-V210 HydrophobicContact CD1-CG2 4.21Å; Y206-V210 HydrophobicContact CE1-CG2 3.76Å; Y206-V210 HydrophobicContact CE2-CG2 4.1Å; Y206-V210 WeakPolarHBondContact O-CG2 3.46Å; Y206-V210 PolarHBondContact O-N 2.7Å; Q207-V210 PolarHBondContact O-N 2.73Å; Q207-V210 VanDerWaalsContact O-N 3.17Å; V210-Q213 PolarHBondContact O-N 2.84Å; V210-A214 PolarHBondContact O-N 2.85Å |
| 211 | S | 77.3 | Confident | 70.3 | Confident | 69 Ų | 69 | 105.4 Ų | 105.4 | 48% | 0.483 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66 | -39 | 175.8 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | Q207 A208 Q213 A214 T215 | Q207-S211 PolarHBondContact O-N 3.41Å; Q207-S211 PolarHBondContact O-OG 3.48Å; A208-S211 WeakPolarHBondContact CA-OG 3.23Å; A208-S211 PolarHBondContact O-OG 3.22Å; S211-Q213 VanDerWaalsContact C-N 3.34Å; S211-Q213 PolarHBondContact O-N 3.45Å; S211-A214 WeakPolarHBondContact O-CB 3.42Å; S211-A214 PolarHBondContact O-N 3.49Å; S211-T215 PolarHBondContact O-N 2.99Å; S211-T215 VanDerWaalsContact O-N 3.13Å; S211-T215 PolarHBondContact O-OG1 3.44Å |
| 212 | A | 73.1 | Confident | 67.8 | Low | 58 Ų | 58 | 109.2 Ų | 109.2 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.2 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A208 T215 S216 | A208-A212 WeakPolarHBondContact O-CB 3.46Å; A208-A212 PolarHBondContact O-N 2.71Å; A208-A212 VanDerWaalsContact O-N 3.09Å; A212-T215 WeakPolarHBondContact CA-OG1 3.5Å; A212-T215 PolarHBondContact O-N 2.87Å; A212-T215 PolarHBondContact O-OG1 3.32Å; A212-S216 PolarHBondContact O-N 3.1Å |
| 213 | Q | 65.9 | Low | 65.9 | Low | 125 Ų | 125 | 106.4 Ų | 106.4 | 58% | 0.584 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.4 | -32.1 | 174.2 | -74 | 167.1 | 89.1 | 0 | 0 | 112.9 | A209 V210 S211 T215 S216 | A209-Q213 WeakPolarHBondContact O-CG 3.39Å; A209-Q213 PolarHBondContact O-N 2.94Å; A209-Q213 VanDerWaalsContact O-N 3.15Å; A209-Q213 PolarHBondContact O-NE2 3.28Å; V210-Q213 PolarHBondContact O-N 2.84Å; S211-Q213 VanDerWaalsContact C-N 3.34Å; S211-Q213 PolarHBondContact O-N 3.45Å; Q213-T215 VanDerWaalsContact C-N 3.28Å; Q213-T215 PolarHBondContact O-N 2.84Å; Q213-S216 PolarHBondContact O-N 3.29Å; Q213-S216 PolarHBondContact O-OG 2.85Å |
| 214 | A | 57.8 | Low | 62.8 | Low | 74 Ų | 74 | 106.9 Ų | 106.9 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65 | -33.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V210 S211 | V210-A214 PolarHBondContact O-N 2.85Å; S211-A214 WeakPolarHBondContact O-CB 3.42Å; S211-A214 PolarHBondContact O-N 3.49Å |
| 215 | T | 53.6 | Low | 60.3 | Low | 109 Ų | 109 | 108.5 Ų | 108.5 | 67% | 0.669 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -78.1 | -17 | 176.1 | 47.5 | 0 | 0 | 0 | 0 | 115.1 | S211 A212 Q213 | S211-T215 PolarHBondContact O-N 2.99Å; S211-T215 VanDerWaalsContact O-N 3.13Å; S211-T215 PolarHBondContact O-OG1 3.44Å; A212-T215 WeakPolarHBondContact CA-OG1 3.5Å; A212-T215 PolarHBondContact O-N 2.87Å; A212-T215 PolarHBondContact O-OG1 3.32Å; Q213-T215 VanDerWaalsContact C-N 3.28Å; Q213-T215 PolarHBondContact O-N 2.84Å |
| 216 | S | 52.2 | Low | 57.5 | Low | 82 Ų | 82 | 107 Ų | 107 | 57% | 0.573 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -83.1 | -12.9 | -178 | 56.9 | 0 | 0 | 0 | 0 | 115 | A212 Q213 V218 | A212-S216 PolarHBondContact O-N 3.1Å; Q213-S216 PolarHBondContact O-N 3.29Å; Q213-S216 PolarHBondContact O-OG 2.85Å; S216-V218 PolarHBondContact O-N 3.29Å |
| 217 | N | 48 | Very low | 54.7 | Low | 145 Ų | 145 | 108.5 Ų | 108.5 | 78% | 0.775 | 65% | 0.652 | S | S | * | * | trans | -96.2 | 53.1 | -175.9 | -79.8 | 10.7 | 0 | 0 | 0 | 113.6 | ||||
| 218 | V | 42.6 | Very low | 52.8 | Low | 123 Ų | 123 | 109.3 Ų | 109.3 | 75% | 0.745 | 67% | 0.666 | S | S | * | * | trans | -115.9 | 85 | 167.6 | -175 | 0 | 0 | 0 | 0 | 109.3 | S216 P220 | S216-V218 PolarHBondContact O-N 3.29Å; V218-P220 WeakPolarHBondContact O-CD 3.46Å | ||
| 219 | N | 33.6 | Very low | 50 | Low | 136 Ų | 136 | 114.8 Ų | 114.8 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -84.2 | 120.1 | 177.6 | -175.1 | 85.8 | 0 | 0 | 0 | 110.9 | T221 | N219-T221 PolarHBondContact ND2-OG1 2.83Å; N219-T221 PolarHBondContact O-N 2.82Å | ||
| 220 | P | 46.8 | Very low | 47.4 | Very low | 117 Ų | 117 | 119.1 Ų | 119.1 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | trans | -88 | 101.5 | -172.3 | 33.3 | -33.8 | 0 | 0 | 0 | 113.1 | V218 | V218-P220 WeakPolarHBondContact O-CD 3.46Š| ||
| 221 | T | 33.3 | Very low | 44.7 | Very low | 115 Ų | 115 | 124 Ų | 124 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -146.1 | 109.4 | 168.9 | 0.8 | 0 | 0 | 0 | 0 | 113.8 | N219 | N219-T221 PolarHBondContact ND2-OG1 2.83Å; N219-T221 PolarHBondContact O-N 2.82Å | ||
| 222 | Q | 36.4 | Very low | 42.4 | Very low | 189 Ų | 189 | 125.2 Ų | 125.2 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | 16.3 | 155.1 | 156.7 | -81.8 | -177.1 | -32.7 | 0 | 0 | 124.1 | ||||
| 223 | P | 50.9 | Low | 40.3 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -89.7 | 160 | -163.9 | 37.3 | -38.4 | 0 | 0 | 0 | 115.1 | ||||
| 224 | T | 29 | Very low | 38.6 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -150.2 | 140.6 | 158 | -63 | 0 | 0 | 0 | 0 | 111 | ||||
| 225 | T | 39.2 | Very low | 37.6 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -76.9 | 138.7 | -176.2 | -53 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 226 | S | 30.3 | Very low | 36.4 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -154.1 | 142.9 | 150.7 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 227 | Q | 32.8 | Very low | 35.4 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -134.6 | -175.1 | 163.7 | -49.9 | 179.9 | -4.9 | 0 | 0 | 105.9 | ||||
| 228 | P | 51 | Low | 34.7 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | cis | -126.8 | -178.4 | -19.6 | 39.1 | -24.4 | 0 | 0 | 0 | 112.1 | ||||
| 229 | L | 27.8 | Very low | 34.5 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | -169 | 172.7 | 124.1 | -104.5 | 162.6 | 0 | 0 | 0 | 111.5 | |||||
| 230 | N | 28.9 | Very low | 35.1 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -142.1 | 142.1 | -148 | -163.1 | -48.8 | 0 | 0 | 0 | 112.8 | ||||
| 231 | L | 28 | Very low | 34.7 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | 168.8 | 144 | 149.1 | -113 | 64.6 | 0 | 0 | 0 | 107.8 | ||||
| 232 | A | 29.1 | Very low | 34.7 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | cis | -147.1 | 173.4 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 233 | H | 28.7 | Very low | 34.7 | Very low | 152 Ų | 152 | 131 Ų | 131 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | trans | -122.7 | 136.7 | -166.9 | 161.8 | 94.1 | 0 | 0 | 0 | 113.8 | ||||
| 234 | V | 31 | Very low | 33.9 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -144.5 | 132.5 | 159.1 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 235 | P | 36.4 | Very low | 34.1 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -114.4 | 158.6 | -176.6 | 39.7 | -31.3 | 0 | 0 | 0 | 115.4 | ||||
| 236 | G | 28.4 | Very low | 33.9 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 103.2 | 108.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 237 | E | 30.8 | Very low | 34 | Very low | 206 Ų | 206 | 132.9 Ų | 132.9 | 96% | 0.963 | 79% | 0.786 | S | S | * | * | -168.5 | 158.9 | 93 | -144.5 | 147.3 | 87.8 | 0 | 0 | 109.4 | |||||
| 238 | E | 34.5 | Very low | 34.4 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -104.8 | 148.4 | -174.4 | -147 | -165.1 | 97 | 0 | 0 | 111.2 | ||||
| 239 | P | 37.7 | Very low | 33.6 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | -153.5 | -158.6 | 98 | 40.1 | -18.5 | 0 | 0 | 0 | 113.2 | |||||
| 240 | P | 45.6 | Very low | 34.3 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | -111.5 | 173.4 | -91.1 | 37.2 | -20.5 | 0 | 0 | 0 | 113.2 | |||||
| 241 | P | 38.8 | Very low | 34.4 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 147.4 | -166.1 | 31.8 | -36.7 | 0 | 0 | 0 | 115.6 | ||
| 242 | A | 33.3 | Very low | 34.8 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 141.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 243 | P | 37.2 | Very low | 35.3 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 145.4 | -177.1 | 30.3 | -35 | 0 | 0 | 0 | 112.7 | ||
| 244 | N | 33.9 | Very low | 35.7 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 131.5 | 167.7 | -77.2 | -96.7 | 0 | 0 | 0 | 109.8 | ||
| 245 | L | 32.8 | Very low | 36.5 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -108.4 | 127.9 | 152.6 | -87.7 | 171.9 | 0 | 0 | 0 | 108.6 | ||||
| 246 | V | 34.3 | Very low | 36.9 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -93.6 | -179.4 | -173 | -164.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 247 | A | 32.7 | Very low | 37.8 | Very low | 80 Ų | 80 | 143.8 Ų | 143.8 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | trans | 74.1 | 70.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | E249 | A247-E249 PolarHBondContact O-N 2.83Š| ||
| 248 | Q | 41.4 | Very low | 38.7 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 96% | 0.963 | 78% | 0.777 | S | S | * | * | trans | -59.6 | 103 | 136.7 | 171.5 | -168.9 | -19.3 | 0 | 0 | 108 | ||||
| 249 | E | 34.6 | Very low | 39.2 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -142.6 | 139.1 | 171.5 | -171.8 | 151 | 78.7 | 0 | 0 | 112.4 | A247 | A247-E249 PolarHBondContact O-N 2.83Š| ||
| 250 | N | 41.9 | Very low | 40.1 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | 11.8 | 111.8 | 170.4 | -79.2 | -78 | 0 | 0 | 0 | 119.3 | ||||
| 251 | R | 31.3 | Very low | 40.2 | Very low | 230 Ų | 230 | 142.9 Ų | 142.9 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | trans | -133.1 | 130.8 | 145.8 | -162.6 | 173.6 | -60.5 | -107.5 | -3.1 | 108.1 | ||||
| 252 | P | 36.5 | Very low | 40.9 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -64.4 | 148.8 | -175.9 | 25.3 | -34.2 | 0 | 0 | 0 | 112.1 | N254 | P252-N254 PolarHBondContact O-N 2.79Å; P252-N254 VanDerWaalsContact O-N 3.12Å | ||
| 253 | M | 38.8 | Very low | 41.6 | Very low | 173 Ų | 173 | 145 Ų | 145 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -65.6 | 103.7 | -178 | -169 | 77.2 | 147.9 | 0 | 0 | 110.7 | E255 | M253-E255 PolarHBondContact O-N 3.23Š| ||
| 254 | N | 38.4 | Very low | 42.4 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | trans | -89.5 | 100.8 | 167.9 | -179 | 29.7 | 0 | 0 | 0 | 109.8 | P252 N256 | P252-N254 PolarHBondContact O-N 2.79Å; P252-N254 VanDerWaalsContact O-N 3.12Å; N254-N256 PolarHBondContact ND2-OD1 3.3Å; N254-N256 PolarHBondContact O-N 3.06Å; N254-N256 PolarHBondContact OD1-OD1 3.44Å | ||
| 255 | E | 46.5 | Very low | 43.1 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 46.1 | -173.4 | -159 | 175.1 | 94.7 | 0 | 0 | 113.5 | M253 | M253-E255 PolarHBondContact O-N 3.23Š|
| 256 | N | 45.7 | Very low | 44 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.5 | 10.7 | 168.7 | 83.7 | -16.2 | 0 | 0 | 0 | 115.4 | N254 Q258 | N254-N256 PolarHBondContact ND2-OD1 3.3Å; N254-N256 PolarHBondContact O-N 3.06Å; N254-N256 PolarHBondContact OD1-OD1 3.44Å; N256-Q258 PolarHBondContact O-N 2.89Å |
| 257 | V | 47.8 | Very low | 45 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | trans | -66.3 | 98.2 | 174 | -179 | 0 | 0 | 0 | 0 | 109.5 | M259 | V257-M259 PolarHBondContact O-N 2.99Š| ||
| 258 | Q | 49.7 | Very low | 46 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -64.8 | 100.4 | 177.3 | -171.9 | 175.8 | 21.5 | 0 | 0 | 109.6 | N256 N260 | N256-Q258 PolarHBondContact O-N 2.89Å; Q258-N260 PolarHBondContact O-N 3.34Å | ||
| 259 | M | 44.2 | Very low | 46.6 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | trans | -69 | 98.8 | -176.6 | -65.3 | -177.8 | -177.9 | 0 | 0 | 110.7 | V257 | V257-M259 PolarHBondContact O-N 2.99Š| ||
| 260 | N | 56.7 | Low | 47.6 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 56% | 0.561 | 71% | 0.709 | S | S | * | * | trans | -58.4 | 137.1 | 163.8 | -174.9 | 2.8 | 0 | 0 | 0 | 109.1 | Q258 Q262 | Q258-N260 PolarHBondContact O-N 3.34Å; N260-Q262 PolarHBondContact O-N 3.35Å | ||
| 261 | A | 47.8 | Very low | 48.3 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 88% | 0.884 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -69.4 | 12.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 262 | Q | 53.4 | Low | 49.5 | Very low | 164 Ų | 164 | 121.6 Ų | 121.6 | 77% | 0.766 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -138.7 | 96.1 | 179 | -169.4 | 144.7 | 93.3 | 0 | 0 | 107.6 | N260 G264 | N260-Q262 PolarHBondContact O-N 3.35Å; Q262-G264 PolarHBondContact O-N 2.89Å |
| 263 | G | 48.3 | Very low | 50.4 | Low | 90 Ų | 90 | 120.8 Ų | 120.8 | 93% | 0.928 | 67% | 0.666 | S | S | * | * | trans | -68.3 | 89.1 | -161.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 264 | G | 54.5 | Low | 51.5 | Low | 46 Ų | 46 | 119.3 Ų | 119.3 | 47% | 0.474 | 65% | 0.651 | S | S | . | * | trans | -129.7 | 150.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q262 V266 | Q262-G264 PolarHBondContact O-N 2.89Å; G264-V266 PolarHBondContact O-N 2.82Å | ||
| 265 | P | 47.2 | Very low | 53.1 | Low | 122 Ų | 122 | 118.6 Ų | 118.6 | 79% | 0.792 | 65% | 0.647 | S | S | * | * | trans | -71 | 101.9 | 177.2 | 29.5 | -33.5 | 0 | 0 | 0 | 109.9 | L267 | P265-L267 PolarHBondContact O-N 3Š| ||
| 266 | V | 51.3 | Low | 54.8 | Low | 89 Ų | 89 | 117.1 Ų | 117.1 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | trans | -72 | 84 | 171.6 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | G264 N268 | G264-V266 PolarHBondContact O-N 2.82Å; V266-N268 PolarHBondContact O-N 3.47Å | ||
| 267 | L | 56.6 | Low | 56.3 | Low | 158 Ų | 158 | 116 Ų | 116 | 83% | 0.827 | 63% | 0.627 | S | S | * | * | trans | -77 | 45.3 | 173.6 | -78.1 | 179.4 | 0 | 0 | 0 | 112.3 | P265 E269 | P265-L267 PolarHBondContact O-N 3Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 3.15Å | ||
| 268 | N | 54.3 | Low | 57.7 | Low | 66 Ų | 66 | 115.2 Ų | 115.2 | 35% | 0.353 | 62% | 0.62 | S | S | . | * | trans | 43.1 | 46.9 | 153.6 | -155.2 | 7 | 0 | 0 | 0 | 115.7 | V266 E270 D271 | V266-N268 PolarHBondContact O-N 3.47Å; N268-E270 PolarHBondContact O-N 2.82Å; N268-D271 VanDerWaalsContact CG-CG 3.5Å; N268-D271 WeakPolarHBondContact ND2-CB 3.37Å; N268-D271 PolarHBondContact ND2-OD2 3.13Å; N268-D271 WeakPolarHBondContact OD1-CB 3.09Å; N268-D271 PolarHBondContact OD1-N 3.36Å; N268-D271 VanDerWaalsContact OD1-N 3.12Å; N268-D271 PolarHBondContact OD1-OD1 3.21Å; N268-D271 PolarHBondContact OD1-OD2 3.1Å | ||
| 269 | E | 53.5 | Low | 59.2 | Low | 132 Ų | 132 | 114.7 Ų | 114.7 | 62% | 0.617 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.1 | -18.2 | 172.3 | 54 | -178.4 | 104.6 | 0 | 0 | 111.1 | L267 N273 | L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 3.15Å; E269-N273 WeakPolarHBondContact O-CB 3.46Å; E269-N273 PolarHBondContact O-N 3.37Å; E269-N273 PolarHBondContact O-ND2 3.24Å |
| 270 | E | 55.4 | Low | 61.1 | Low | 93 Ų | 93 | 111.1 Ų | 111.1 | 44% | 0.435 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.8 | -45.8 | 175.1 | -58.3 | 87.7 | 164 | 0 | 0 | 113.5 | N268 N273 R274 | N268-E270 PolarHBondContact O-N 2.82Å; E270-N273 PolarHBondContact O-N 3.35Å; E270-R274 WeakPolarHBondContact O-CB 3.37Å; E270-R274 WeakPolarHBondContact O-CD 3.38Å; E270-R274 WeakPolarHBondContact O-CG 3.32Å; E270-R274 PolarHBondContact O-N 3.34Å |
| 271 | D | 57.2 | Low | 62.3 | Low | 50 Ų | 50 | 112.3 Ų | 112.3 | 27% | 0.267 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.6 | -50.7 | 178.3 | -78.3 | -2 | 0 | 0 | 0 | 110.2 | N268 N273 R274 D275 | N268-D271 VanDerWaalsContact CG-CG 3.5Å; N268-D271 WeakPolarHBondContact ND2-CB 3.37Å; N268-D271 PolarHBondContact ND2-OD2 3.13Å; N268-D271 WeakPolarHBondContact OD1-CB 3.09Å; N268-D271 PolarHBondContact OD1-N 3.36Å; N268-D271 VanDerWaalsContact OD1-N 3.12Å; N268-D271 PolarHBondContact OD1-OD1 3.21Å; N268-D271 PolarHBondContact OD1-OD2 3.1Å; D271-N273 PolarHBondContact O-N 2.87Å; D271-R274 CarbonylContact O-C 3.52Å; D271-R274 WeakPolarHBondContact O-CA 3.13Å; D271-R274 PolarHBondContact O-N 3.39Å; D271-R274 IonicContact OD1-CZ 3.24Å; D271-R274 IonicContact OD1-NH1 2.67Å; D271-R274 PolarHBondContact OD1-NH1 2.76Å; D271-R274 IonicContact OD1-NH2 3.07Å; D271-R274 PolarHBondContact OD1-NH2 3.24Å; D271-D275 WeakPolarHBondContact O-CB 3.43Å; D271-D275 PolarHBondContact O-N 2.99Å |
| 272 | F | 55 | Low | 64 | Low | 168 Ų | 168 | 110.9 Ų | 110.9 | 74% | 0.737 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56.1 | -30.9 | 177.5 | -92.3 | -81.2 | 0 | 0 | 0 | 113.9 | ||
| 273 | N | 56.3 | Low | 65.6 | Low | 101 Ų | 101 | 109 Ų | 109 | 54% | 0.54 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -87 | -21.2 | 176.2 | -80.9 | -79.8 | 0 | 0 | 0 | 114 | E269 E270 D271 W276 | E269-N273 WeakPolarHBondContact O-CB 3.46Å; E269-N273 PolarHBondContact O-N 3.37Å; E269-N273 PolarHBondContact O-ND2 3.24Å; E270-N273 PolarHBondContact O-N 3.35Å; D271-N273 PolarHBondContact O-N 2.87Å; N273-W276 VanDerWaalsContact O-CD1 3.27Å; N273-W276 PolarHBondContact O-NE1 2.98Å; N273-W276 VanDerWaalsContact O-NE1 3.15Å |
| 274 | R | 60.8 | Low | 67.5 | Low | 143 Ų | 143 | 107 Ų | 107 | 54% | 0.54 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -79.3 | -42.5 | 170.3 | -82 | 152.5 | 47.9 | -137.5 | -17.4 | 111 | E270 D271 W276 L277 D278 | E270-R274 WeakPolarHBondContact O-CB 3.37Å; E270-R274 WeakPolarHBondContact O-CD 3.38Å; E270-R274 WeakPolarHBondContact O-CG 3.32Å; E270-R274 PolarHBondContact O-N 3.34Å; D271-R274 CarbonylContact O-C 3.52Å; D271-R274 WeakPolarHBondContact O-CA 3.13Å; D271-R274 PolarHBondContact O-N 3.39Å; D271-R274 IonicContact OD1-CZ 3.24Å; D271-R274 IonicContact OD1-NH1 2.67Å; D271-R274 PolarHBondContact OD1-NH1 2.76Å; D271-R274 IonicContact OD1-NH2 3.07Å; D271-R274 PolarHBondContact OD1-NH2 3.24Å; R274-W276 PolarHBondContact O-N 2.91Å; R274-L277 PolarHBondContact O-N 3.35Å; R274-D278 WeakPolarHBondContact O-CB 3.41Å; R274-D278 PolarHBondContact O-N 3.43Å |
| 275 | D | 71.9 | Confident | 69 | Low | 90 Ų | 90 | 111.9 Ų | 111.9 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.5 | -47 | -173.4 | -73 | -18.9 | 0 | 0 | 0 | 113.1 | D271 L277 D278 W279 | D271-D275 WeakPolarHBondContact O-CB 3.43Å; D271-D275 PolarHBondContact O-N 2.99Å; D275-L277 VanDerWaalsContact C-N 3.31Å; D275-L277 PolarHBondContact O-N 3.33Å; D275-D278 PolarHBondContact O-N 3.3Å; D275-W279 WeakPolarHBondContact O-CA 3.26Å; D275-W279 WeakPolarHBondContact O-CB 3.47Å; D275-W279 PolarHBondContact O-N 3.07Å |
| 276 | W | 83.3 | Confident | 70.8 | Confident | 150 Ų | 150 | 108.6 Ų | 108.6 | 57% | 0.568 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.2 | -33 | -177.7 | 77.4 | -87 | 0 | 0 | 0 | 112.7 | N273 R274 M280 | N273-W276 VanDerWaalsContact O-CD1 3.27Å; N273-W276 PolarHBondContact O-NE1 2.98Å; N273-W276 VanDerWaalsContact O-NE1 3.15Å; R274-W276 PolarHBondContact O-N 2.91Å; W276-M280 VanDerWaalsContact O-CB 3.31Å; W276-M280 WeakPolarHBondContact O-CB 3.14Å; W276-M280 WeakPolarHBondContact O-CG 3.49Å; W276-M280 PolarHBondContact O-N 3.29Å |
| 277 | L | 77.7 | Confident | 72.3 | Confident | 96 Ų | 96 | 106.3 Ų | 106.3 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78.4 | -43.6 | 176.7 | -91.7 | 164.3 | 0 | 0 | 0 | 111.8 | R274 D275 M280 Y281 | R274-L277 PolarHBondContact O-N 3.35Å; D275-L277 VanDerWaalsContact C-N 3.31Å; D275-L277 PolarHBondContact O-N 3.33Å; L277-M280 PolarHBondContact O-N 3.26Å; L277-Y281 WeakPolarHBondContact O-CB 3.46Å; L277-Y281 PolarHBondContact O-N 3.07Å |
| 278 | D | 77.2 | Confident | 73.7 | Confident | 89 Ų | 89 | 103.7 Ų | 103.7 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75.2 | -31 | -179 | -164.3 | 49.1 | 0 | 0 | 0 | 112.3 | R274 D275 Y281 T282 | R274-D278 WeakPolarHBondContact O-CB 3.41Å; R274-D278 PolarHBondContact O-N 3.43Å; D275-D278 PolarHBondContact O-N 3.3Å; D278-Y281 PolarHBondContact O-N 3.48Å; D278-T282 WeakPolarHBondContact O-CB 3.49Å; D278-T282 PolarHBondContact O-N 3.31Å; D278-T282 PolarHBondContact O-OG1 3.38Å |
| 279 | W | 80.7 | Confident | 75.1 | Confident | 175 Ų | 175 | 105.5 Ų | 105.5 | 66% | 0.663 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.9 | -47.5 | 167.9 | -175 | 87.3 | 0 | 0 | 0 | 111.1 | D275 Y281 F283 | D275-W279 WeakPolarHBondContact O-CA 3.26Å; D275-W279 WeakPolarHBondContact O-CB 3.47Å; D275-W279 PolarHBondContact O-N 3.07Å; W279-Y281 VanDerWaalsContact C-N 3.34Å; W279-Y281 PolarHBondContact O-N 2.85Å; W279-F283 WeakPolarHBondContact O-CB 3.33Å; W279-F283 PolarHBondContact O-N 2.8Å |
| 280 | M | 83.1 | Confident | 76.4 | Confident | 100 Ų | 100 | 102 Ų | 102 | 49% | 0.493 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 174.9 | -78.6 | -65.1 | -62.7 | 0 | 0 | 112.3 | W276 L277 S284 | W276-M280 VanDerWaalsContact O-CB 3.31Å; W276-M280 WeakPolarHBondContact O-CB 3.14Å; W276-M280 WeakPolarHBondContact O-CG 3.49Å; W276-M280 PolarHBondContact O-N 3.29Å; L277-M280 PolarHBondContact O-N 3.26Å; M280-S284 VanDerWaalsContact O-CB 3.29Å; M280-S284 WeakPolarHBondContact O-CB 3.37Å; M280-S284 PolarHBondContact O-N 3.35Å; M280-S284 PolarHBondContact O-OG 3.11Å |
| 281 | Y | 83.6 | Confident | 77.5 | Confident | 130 Ų | 130 | 100 Ų | 100 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.9 | -50.4 | 177.3 | 173.2 | -119.5 | 0 | 0 | 0 | 111.3 | L277 D278 W279 F283 S284 R285 | L277-Y281 WeakPolarHBondContact O-CB 3.46Å; L277-Y281 PolarHBondContact O-N 3.07Å; D278-Y281 PolarHBondContact O-N 3.48Å; W279-Y281 VanDerWaalsContact C-N 3.34Å; W279-Y281 PolarHBondContact O-N 2.85Å; Y281-F283 PolarHBondContact O-N 2.86Å; Y281-S284 PolarHBondContact O-N 3.3Å; Y281-S284 VanDerWaalsContact O-N 3.14Å; Y281-S284 PolarHBondContact O-OG 2.98Å; Y281-R285 WeakPolarHBondContact O-CB 3.41Å; Y281-R285 PolarHBondContact O-N 2.85Å |
| 282 | T | 82.8 | Confident | 78.7 | Confident | 76 Ų | 76 | 102 Ų | 102 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 176 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | D278 R285 A286 | D278-T282 WeakPolarHBondContact O-CB 3.49Å; D278-T282 PolarHBondContact O-N 3.31Å; D278-T282 PolarHBondContact O-OG1 3.38Å; T282-R285 PolarHBondContact O-N 2.93Å; T282-A286 VanDerWaalsContact O-CB 3.29Å; T282-A286 WeakPolarHBondContact O-CB 3.48Å; T282-A286 PolarHBondContact O-N 2.83Å |
| 283 | F | 87.4 | Confident | 79.8 | Confident | 124 Ų | 124 | 97.3 Ų | 97.3 | 54% | 0.544 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 172 | -178.7 | -96 | 0 | 0 | 0 | 111.7 | W279 Y281 R285 A286 A287 | W279-F283 WeakPolarHBondContact O-CB 3.33Å; W279-F283 PolarHBondContact O-N 2.8Å; Y281-F283 PolarHBondContact O-N 2.86Å; F283-R285 VanDerWaalsContact C-N 3.35Å; F283-R285 PolarHBondContact O-N 3.24Å; F283-A286 PolarHBondContact O-N 3.29Å; F283-A287 VanDerWaalsContact O-CB 3.28Å; F283-A287 WeakPolarHBondContact O-CB 3.37Å; F283-A287 PolarHBondContact O-N 2.99Å |
| 284 | S | 88.4 | Confident | 80.9 | Confident | 49 Ų | 49 | 97.8 Ų | 97.8 | 34% | 0.343 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 176.4 | 79.5 | 0 | 0 | 0 | 0 | 112.4 | M280 Y281 A287 I288 | M280-S284 VanDerWaalsContact O-CB 3.29Å; M280-S284 WeakPolarHBondContact O-CB 3.37Å; M280-S284 PolarHBondContact O-N 3.35Å; M280-S284 PolarHBondContact O-OG 3.11Å; Y281-S284 PolarHBondContact O-N 3.3Å; Y281-S284 VanDerWaalsContact O-N 3.14Å; Y281-S284 PolarHBondContact O-OG 2.98Å; S284-A287 PolarHBondContact O-N 2.88Å; S284-I288 WeakPolarHBondContact O-CB 3.49Å; S284-I288 WeakPolarHBondContact O-CD1 3.41Å; S284-I288 VanDerWaalsContact O-CG1 3.25Å; S284-I288 WeakPolarHBondContact O-CG1 3.37Å; S284-I288 PolarHBondContact O-N 2.79Å |
| 285 | R | 86 | Confident | 81.7 | Confident | 149 Ų | 149 | 98.7 Ų | 98.7 | 56% | 0.562 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.5 | -42.3 | 178.4 | -171.1 | 177.4 | -177.7 | -167.7 | 0.8 | 111 | Y281 T282 F283 I288 L289 | Y281-R285 WeakPolarHBondContact O-CB 3.41Å; Y281-R285 PolarHBondContact O-N 2.85Å; T282-R285 PolarHBondContact O-N 2.93Å; F283-R285 VanDerWaalsContact C-N 3.35Å; F283-R285 PolarHBondContact O-N 3.24Å; R285-I288 PolarHBondContact O-N 2.97Å; R285-L289 HydrophobicContact CG-CD1 4.45Å; R285-L289 WeakPolarHBondContact O-CB 3.25Å; R285-L289 VanDerWaalsContact O-CG 3.27Å; R285-L289 WeakPolarHBondContact O-CG 3.41Å; R285-L289 PolarHBondContact O-N 2.81Å |
| 286 | A | 84.8 | Confident | 81.9 | Confident | 52 Ų | 52 | 104.5 Ų | 104.5 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | T282 F283 I288 L289 L290 | T282-A286 VanDerWaalsContact O-CB 3.29Å; T282-A286 WeakPolarHBondContact O-CB 3.48Å; T282-A286 PolarHBondContact O-N 2.83Å; F283-A286 PolarHBondContact O-N 3.29Å; A286-I288 PolarHBondContact O-N 3.4Å; A286-L289 PolarHBondContact O-N 2.86Å; A286-L290 WeakPolarHBondContact O-CB 3.48Å; A286-L290 PolarHBondContact O-N 2.93Å |
| 287 | A | 82.9 | Confident | 81.6 | Confident | 42 Ų | 42 | 99.4 Ų | 99.4 | 35% | 0.347 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -35 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F283 S284 S291 | F283-A287 VanDerWaalsContact O-CB 3.28Å; F283-A287 WeakPolarHBondContact O-CB 3.37Å; F283-A287 PolarHBondContact O-N 2.99Å; S284-A287 PolarHBondContact O-N 2.88Å; A287-S291 VanDerWaalsContact O-CB 3.28Å; A287-S291 WeakPolarHBondContact O-CB 3.29Å; A287-S291 PolarHBondContact O-N 2.87Å |
| 288 | I | 85.3 | Confident | 81.5 | Confident | 103 Ų | 103 | 97.8 Ų | 97.8 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.4 | -46 | 174.1 | -70.5 | 163 | 0 | 0 | 0 | 110.9 | S284 R285 A286 L290 S291 I292 | S284-I288 WeakPolarHBondContact O-CB 3.49Å; S284-I288 WeakPolarHBondContact O-CD1 3.41Å; S284-I288 VanDerWaalsContact O-CG1 3.25Å; S284-I288 WeakPolarHBondContact O-CG1 3.37Å; S284-I288 PolarHBondContact O-N 2.79Å; R285-I288 PolarHBondContact O-N 2.97Å; A286-I288 PolarHBondContact O-N 3.4Å; I288-L290 VanDerWaalsContact C-N 3.29Å; I288-L290 PolarHBondContact O-N 2.85Å; I288-S291 WeakPolarHBondContact O-CB 3.14Å; I288-S291 PolarHBondContact O-N 2.95Å; I288-I292 HydrophobicContact CG2-CD1 4.07Å; I288-I292 WeakPolarHBondContact O-CG1 3.37Å; I288-I292 PolarHBondContact O-N 3.39Å |
| 289 | L | 83.6 | Confident | 81.5 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 173.9 | -71.5 | 168.4 | 0 | 0 | 0 | 111.2 | R285 A286 I292 V293 | R285-L289 HydrophobicContact CG-CD1 4.45Å; R285-L289 WeakPolarHBondContact O-CB 3.25Å; R285-L289 VanDerWaalsContact O-CG 3.27Å; R285-L289 WeakPolarHBondContact O-CG 3.41Å; R285-L289 PolarHBondContact O-N 2.81Å; A286-L289 PolarHBondContact O-N 2.86Å; L289-I292 PolarHBondContact O-N 3.07Å; L289-V293 WeakPolarHBondContact O-CG2 3.35Å; L289-V293 PolarHBondContact O-N 2.67Å |
| 290 | L | 81.8 | Confident | 81.3 | Confident | 58 Ų | 58 | 95.6 Ų | 95.6 | 30% | 0.304 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.9 | -172.9 | 67.4 | 0 | 0 | 0 | 111.8 | A286 I288 V293 Y294 F302 M306 | A286-L290 WeakPolarHBondContact O-CB 3.48Å; A286-L290 PolarHBondContact O-N 2.93Å; I288-L290 VanDerWaalsContact C-N 3.29Å; I288-L290 PolarHBondContact O-N 2.85Å; L290-V293 PolarHBondContact O-N 3.34Å; L290-Y294 WeakPolarHBondContact O-CB 3.23Å; L290-Y294 PolarHBondContact O-N 2.74Å; L290-F302 HydrophobicContact CD1-CD2 4.47Å; L290-F302 HydrophobicContact CD1-CE2 3.35Å; L290-F302 HydrophobicContact CD1-CZ 3.52Å; L290-F302 HydrophobicContact CD2-CZ 4.24Å; L290-F302 HydrophobicContact CG-CE2 3.74Å; L290-F302 HydrophobicContact CG-CZ 3.71Å; L290-F302 WeakPolarHBondContact O-CE2 3.45Å; L290-M306 HydrophobicContact CD1-CE 3.9Å; L290-M306 HydrophobicContact CD1-CG 3.56Å; L290-M306 HydrophobicContact CD1-SD 3.27Å; L290-M306 WeakPolarHBondContact CD1-SD 3.22Å; L290-M306 HydrophobicContact CD2-CE 4.17Å |
| 291 | S | 78 | Confident | 81.2 | Confident | 52 Ų | 52 | 98.8 Ų | 98.8 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 174.3 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | A287 I288 Y294 F295 | A287-S291 VanDerWaalsContact O-CB 3.28Å; A287-S291 WeakPolarHBondContact O-CB 3.29Å; A287-S291 PolarHBondContact O-N 2.87Å; I288-S291 WeakPolarHBondContact O-CB 3.14Å; I288-S291 PolarHBondContact O-N 2.95Å; S291-Y294 WeakPolarHBondContact O-CB 3.49Å; S291-Y294 PolarHBondContact O-N 3.28Å; S291-F295 WeakPolarHBondContact O-CD2 3.35Å; S291-F295 PolarHBondContact O-N 3.38Å; S291-F295 WeakPolarHBondContact OG-CE2 3.26Å |
| 292 | I | 81.8 | Confident | 81.1 | Confident | 92 Ų | 92 | 93.7 Ų | 93.7 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.5 | -66.3 | 162.2 | 0 | 0 | 0 | 110.9 | I288 L289 Y294 F295 Y296 | I288-I292 HydrophobicContact CG2-CD1 4.07Å; I288-I292 WeakPolarHBondContact O-CG1 3.37Å; I288-I292 PolarHBondContact O-N 3.39Å; L289-I292 PolarHBondContact O-N 3.07Å; I292-Y294 VanDerWaalsContact C-N 3.31Å; I292-Y294 PolarHBondContact O-N 3.12Å; I292-F295 PolarHBondContact O-N 3.09Å; I292-Y296 PolarHBondContact O-N 2.88Å; I292-Y296 VanDerWaalsContact O-N 3.09Å |
| 293 | V | 77.8 | Confident | 81.2 | Confident | 70 Ų | 70 | 94.2 Ų | 94.2 | 42% | 0.424 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.3 | -33.6 | 176.2 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | L289 L290 S297 F302 | L289-V293 WeakPolarHBondContact O-CG2 3.35Å; L289-V293 PolarHBondContact O-N 2.67Å; L290-V293 PolarHBondContact O-N 3.34Å; V293-S297 WeakPolarHBondContact O-CB 3.4Å; V293-S297 PolarHBondContact O-N 3.1Å; V293-S297 VanDerWaalsContact O-N 3.15Å; V293-F302 HydrophobicContact CG1-CD2 4.32Å |
| 294 | Y | 79.9 | Confident | 80.9 | Confident | 110 Ų | 110 | 94.7 Ų | 94.7 | 43% | 0.431 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.4 | -49.4 | 172.7 | 177.8 | -92 | 0 | 0 | 0 | 111.8 | L290 S291 I292 Y296 S297 F299 F302 | L290-Y294 WeakPolarHBondContact O-CB 3.23Å; L290-Y294 PolarHBondContact O-N 2.74Å; S291-Y294 WeakPolarHBondContact O-CB 3.49Å; S291-Y294 PolarHBondContact O-N 3.28Å; I292-Y294 VanDerWaalsContact C-N 3.31Å; I292-Y294 PolarHBondContact O-N 3.12Å; Y294-Y296 VanDerWaalsContact C-N 3.26Å; Y294-Y296 PolarHBondContact O-N 2.83Å; Y294-S297 PolarHBondContact O-N 3.22Å; Y294-F299 HydrophobicContact CE2-CD2 4.17Å; Y294-F302 AromaticContact CD2-CD1 3.93Å; Y294-F302 HydrophobicContact CD2-CD1 3.93Å; Y294-F302 HydrophobicContact CD2-CD2 4.11Å; Y294-F302 AromaticContact CD2-CE1 3.95Å; Y294-F302 HydrophobicContact CD2-CE1 3.95Å; Y294-F302 HydrophobicContact CD2-CE2 4.11Å; Y294-F302 HydrophobicContact CD2-CG 4.01Å; Y294-F302 HydrophobicContact CD2-CZ 4.04Å; Y294-F302 HydrophobicContact CG-CD2 4.46Å; Y294-F302 HydrophobicContact CG-CE2 4.38Å |
| 295 | F | 76.8 | Confident | 80.7 | Confident | 163 Ų | 163 | 96.7 Ų | 96.7 | 72% | 0.715 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67 | -24.5 | 179.6 | -78.3 | -65.2 | 0 | 0 | 0 | 113.7 | S291 I292 | S291-F295 WeakPolarHBondContact O-CD2 3.35Å; S291-F295 PolarHBondContact O-N 3.38Å; S291-F295 WeakPolarHBondContact OG-CE2 3.26Å; I292-F295 PolarHBondContact O-N 3.09Å |
| 296 | Y | 76.8 | Confident | 80.6 | Confident | 212 Ų | 212 | 93.1 Ų | 93.1 | 83% | 0.831 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 2.2 | 177.3 | -89.8 | -91.5 | 0 | 0 | 0 | 115 | I292 Y294 | I292-Y296 PolarHBondContact O-N 2.88Å; I292-Y296 VanDerWaalsContact O-N 3.09Å; Y294-Y296 VanDerWaalsContact C-N 3.26Å; Y294-Y296 PolarHBondContact O-N 2.83Å |
| 297 | S | 76.8 | Confident | 80.5 | Confident | 42 Ų | 42 | 92.1 Ų | 92.1 | 29% | 0.294 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -134.8 | 152.6 | -175.2 | -162.9 | 0 | 0 | 0 | 0 | 112.7 | V293 Y294 R301 | V293-S297 WeakPolarHBondContact O-CB 3.4Å; V293-S297 PolarHBondContact O-N 3.1Å; V293-S297 VanDerWaalsContact O-N 3.15Å; Y294-S297 PolarHBondContact O-N 3.22Å; S297-R301 WeakPolarHBondContact OG-CB 3.46Å |
| 298 | S | 75.8 | Confident | 80.5 | Confident | 63 Ų | 63 | 92.7 Ų | 92.7 | 44% | 0.441 | 48% | 0.477 | S | S | . | . | trans | -72.7 | 142.7 | 173.4 | 61.3 | 0 | 0 | 0 | 0 | 110.4 | S300 R301 F302 | S298-S300 PolarHBondContact O-N 2.83Å; S298-R301 WeakPolarHBondContact O-CA 3.09Å; S298-R301 PolarHBondContact O-N 2.97Å; S298-R301 WeakPolarHBondContact OG-CD 3.26Å; S298-R301 WeakPolarHBondContact OG-CG 3.41Å; S298-F302 PolarHBondContact O-N 2.81Å | ||
| 299 | F | 77.9 | Confident | 80.4 | Confident | 139 Ų | 139 | 94.4 Ų | 94.4 | 61% | 0.61 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -45.6 | -44.7 | -174.8 | -179.7 | -101.4 | 0 | 0 | 0 | 113.9 | Y294 F302 I303 | Y294-F299 HydrophobicContact CE2-CD2 4.17Å; F299-F302 PolarHBondContact O-N 3.22Å; F299-I303 HydrophobicContact CE1-CG1 4.16Å; F299-I303 HydrophobicContact CE2-CD1 4.38Å; F299-I303 HydrophobicContact CE2-CG1 4.22Å; F299-I303 HydrophobicContact CZ-CD1 4.31Å; F299-I303 HydrophobicContact CZ-CG1 4.01Å; F299-I303 WeakPolarHBondContact O-CG1 3.48Å; F299-I303 PolarHBondContact O-N 2.89Å |
| 300 | S | 75.3 | Confident | 80.4 | Confident | 78 Ų | 78 | 94.2 Ų | 94.2 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.9 | 167.5 | 0 | 0 | 0 | 0 | 113.2 | S298 I303 M304 | S298-S300 PolarHBondContact O-N 2.83Å; S300-I303 PolarHBondContact O-N 3.12Å; S300-M304 WeakPolarHBondContact O-CG 3.2Å; S300-M304 PolarHBondContact O-N 3.06Å |
| 301 | R | 81.1 | Confident | 80.6 | Confident | 167 Ų | 167 | 97 Ų | 97 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.5 | -39.9 | 178.7 | -68.6 | 177.8 | -177.4 | 166.4 | -0.1 | 111.4 | S297 S298 M304 V305 | S297-R301 WeakPolarHBondContact OG-CB 3.46Å; S298-R301 WeakPolarHBondContact O-CA 3.09Å; S298-R301 PolarHBondContact O-N 2.97Å; S298-R301 WeakPolarHBondContact OG-CD 3.26Å; S298-R301 WeakPolarHBondContact OG-CG 3.41Å; R301-M304 PolarHBondContact O-N 3.14Å; R301-V305 WeakPolarHBondContact O-CG2 3.43Å; R301-V305 PolarHBondContact O-N 3.14Å |
| 302 | F | 83.3 | Confident | 80.8 | Confident | 23 Ų | 23 | 98.5 Ų | 98.5 | 10% | 0.101 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -56.9 | -50 | 173.2 | 170.9 | -94.2 | 0 | 0 | 0 | 111.8 | L290 V293 Y294 S298 F299 M304 V305 M306 | L290-F302 HydrophobicContact CD1-CD2 4.47Å; L290-F302 HydrophobicContact CD1-CE2 3.35Å; L290-F302 HydrophobicContact CD1-CZ 3.52Å; L290-F302 HydrophobicContact CD2-CZ 4.24Å; L290-F302 HydrophobicContact CG-CE2 3.74Å; L290-F302 HydrophobicContact CG-CZ 3.71Å; L290-F302 WeakPolarHBondContact O-CE2 3.45Å; V293-F302 HydrophobicContact CG1-CD2 4.32Å; Y294-F302 AromaticContact CD2-CD1 3.93Å; Y294-F302 HydrophobicContact CD2-CD1 3.93Å; Y294-F302 HydrophobicContact CD2-CD2 4.11Å; Y294-F302 AromaticContact CD2-CE1 3.95Å; Y294-F302 HydrophobicContact CD2-CE1 3.95Å; Y294-F302 HydrophobicContact CD2-CE2 4.11Å; Y294-F302 HydrophobicContact CD2-CG 4.01Å; Y294-F302 HydrophobicContact CD2-CZ 4.04Å; Y294-F302 HydrophobicContact CG-CD2 4.46Å; Y294-F302 HydrophobicContact CG-CE2 4.38Å; S298-F302 PolarHBondContact O-N 2.81Å; F299-F302 PolarHBondContact O-N 3.22Å; F302-M304 PolarHBondContact O-N 2.99Å; F302-V305 PolarHBondContact O-N 2.99Å; F302-M306 HydrophobicContact CE2-CG 4.41Å; F302-M306 HydrophobicContact CZ-CG 4.25Å; F302-M306 PolarHBondContact O-N 2.95Å |
| 303 | I | 83.7 | Confident | 80.8 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 177.9 | -66.2 | -63.5 | 0 | 0 | 0 | 111.8 | F299 S300 M306 G307 | F299-I303 HydrophobicContact CE1-CG1 4.16Å; F299-I303 HydrophobicContact CE2-CD1 4.38Å; F299-I303 HydrophobicContact CE2-CG1 4.22Å; F299-I303 HydrophobicContact CZ-CD1 4.31Å; F299-I303 HydrophobicContact CZ-CG1 4.01Å; F299-I303 WeakPolarHBondContact O-CG1 3.48Å; F299-I303 PolarHBondContact O-N 2.89Å; S300-I303 PolarHBondContact O-N 3.12Å; I303-M306 PolarHBondContact O-N 2.85Å; I303-G307 PolarHBondContact O-N 3.4Å |
| 304 | M | 81.9 | Confident | 81 | Confident | 135 Ų | 135 | 100.3 Ų | 100.3 | 67% | 0.665 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 175.9 | -67.9 | -145.2 | -54.9 | 0 | 0 | 112.8 | S300 R301 F302 G307 A308 | S300-M304 WeakPolarHBondContact O-CG 3.2Å; S300-M304 PolarHBondContact O-N 3.06Å; R301-M304 PolarHBondContact O-N 3.14Å; F302-M304 PolarHBondContact O-N 2.99Å; M304-G307 PolarHBondContact O-N 2.65Å; M304-A308 WeakPolarHBondContact O-CB 3.05Å; M304-A308 PolarHBondContact O-N 3.07Å |
| 305 | V | 83.1 | Confident | 80.8 | Confident | 90 Ų | 90 | 102.1 Ų | 102.1 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 177.9 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | R301 F302 A308 M309 | R301-V305 WeakPolarHBondContact O-CG2 3.43Å; R301-V305 PolarHBondContact O-N 3.14Å; F302-V305 PolarHBondContact O-N 2.99Å; V305-A308 PolarHBondContact O-N 2.97Å; V305-M309 PolarHBondContact O-N 2.93Å |
| 306 | M | 83.8 | Confident | 80.5 | Confident | 74 Ų | 74 | 101.5 Ų | 101.5 | 37% | 0.365 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 175 | -84.4 | -61.8 | -74.2 | 0 | 0 | 113.2 | L290 F302 I303 A308 M309 L310 | L290-M306 HydrophobicContact CD1-CE 3.9Å; L290-M306 HydrophobicContact CD1-CG 3.56Å; L290-M306 HydrophobicContact CD1-SD 3.27Å; L290-M306 WeakPolarHBondContact CD1-SD 3.22Å; L290-M306 HydrophobicContact CD2-CE 4.17Å; F302-M306 HydrophobicContact CE2-CG 4.41Å; F302-M306 HydrophobicContact CZ-CG 4.25Å; F302-M306 PolarHBondContact O-N 2.95Å; I303-M306 PolarHBondContact O-N 2.85Å; M306-A308 VanDerWaalsContact C-N 3.33Å; M306-A308 PolarHBondContact O-N 2.89Å; M306-M309 PolarHBondContact O-N 2.65Å; M306-L310 WeakPolarHBondContact O-CB 3.45Å; M306-L310 PolarHBondContact O-N 3.43Å |
| 307 | G | 84.4 | Confident | 80.2 | Confident | 32 Ų | 32 | 94.5 Ų | 94.5 | 33% | 0.33 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | I303 M304 L310 L311 | I303-G307 PolarHBondContact O-N 3.4Å; M304-G307 PolarHBondContact O-N 2.65Å; G307-L310 PolarHBondContact O-N 3.32Å; G307-L311 WeakPolarHBondContact O-CB 3.48Å; G307-L311 WeakPolarHBondContact O-CG 3.45Å; G307-L311 PolarHBondContact O-N 3.41Å |
| 308 | A | 82.7 | Confident | 79.5 | Confident | 53 Ų | 53 | 95.1 Ų | 95.1 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M304 V305 M306 L310 L311 V312 | M304-A308 WeakPolarHBondContact O-CB 3.05Å; M304-A308 PolarHBondContact O-N 3.07Å; V305-A308 PolarHBondContact O-N 2.97Å; M306-A308 VanDerWaalsContact C-N 3.33Å; M306-A308 PolarHBondContact O-N 2.89Å; A308-L310 VanDerWaalsContact C-N 3.34Å; A308-L310 PolarHBondContact O-N 3.17Å; A308-L311 PolarHBondContact O-N 3.47Å; A308-V312 WeakPolarHBondContact O-CG2 3.46Å; A308-V312 PolarHBondContact O-N 3.09Å |
| 309 | M | 82.3 | Confident | 78.9 | Confident | 139 Ų | 139 | 100.9 Ų | 100.9 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -37.5 | 177.4 | -165 | -177.6 | -175.3 | 0 | 0 | 111.8 | V305 M306 V312 Y313 | V305-M309 PolarHBondContact O-N 2.93Å; M306-M309 PolarHBondContact O-N 2.65Å; M309-V312 PolarHBondContact O-N 2.88Å; M309-Y313 WeakPolarHBondContact O-CB 3.45Å; M309-Y313 PolarHBondContact O-N 2.85Å |
| 310 | L | 84.5 | Confident | 77.6 | Confident | 99 Ų | 99 | 100.9 Ų | 100.9 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 174.4 | -176.1 | 64.4 | 0 | 0 | 0 | 111.9 | M306 G307 A308 Y313 L314 | M306-L310 WeakPolarHBondContact O-CB 3.45Å; M306-L310 PolarHBondContact O-N 3.43Å; G307-L310 PolarHBondContact O-N 3.32Å; A308-L310 VanDerWaalsContact C-N 3.34Å; A308-L310 PolarHBondContact O-N 3.17Å; L310-Y313 PolarHBondContact O-N 2.78Å; L310-L314 HydrophobicContact CD1-CD1 3.75Å; L310-L314 HydrophobicContact CG-CD1 4.15Å; L310-L314 WeakPolarHBondContact O-CB 3.42Å; L310-L314 WeakPolarHBondContact O-CD1 3.49Å; L310-L314 PolarHBondContact O-N 2.93Å |
| 311 | L | 84.6 | Confident | 76.5 | Confident | 118 Ų | 118 | 103 Ų | 103 | 62% | 0.618 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 173.8 | -84.9 | 162.9 | 0 | 0 | 0 | 112 | G307 A308 Y313 L314 H315 | G307-L311 WeakPolarHBondContact O-CB 3.48Å; G307-L311 WeakPolarHBondContact O-CG 3.45Å; G307-L311 PolarHBondContact O-N 3.41Å; A308-L311 PolarHBondContact O-N 3.47Å; L311-Y313 VanDerWaalsContact C-N 3.31Å; L311-Y313 PolarHBondContact O-N 3.04Å; L311-L314 PolarHBondContact O-N 2.99Å; L311-H315 WeakPolarHBondContact O-CB 3.43Å; L311-H315 PolarHBondContact O-N 3.01Å |
| 312 | V | 82.8 | Confident | 75 | Confident | 83 Ų | 83 | 104.5 Ų | 104.5 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | A308 M309 H315 Q316 | A308-V312 WeakPolarHBondContact O-CG2 3.46Å; A308-V312 PolarHBondContact O-N 3.09Å; M309-V312 PolarHBondContact O-N 2.88Å; V312-H315 PolarHBondContact O-N 3.44Å; V312-Q316 WeakPolarHBondContact O-CG 3.35Å; V312-Q316 PolarHBondContact O-N 3.05Å |
| 313 | Y | 80.9 | Confident | 73.2 | Confident | 151 Ų | 151 | 114 Ų | 114 | 59% | 0.592 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -44 | 176.2 | -178.2 | -104.9 | 0 | 0 | 0 | 112.7 | M309 L310 L311 H315 Q316 A317 | M309-Y313 WeakPolarHBondContact O-CB 3.45Å; M309-Y313 PolarHBondContact O-N 2.85Å; L310-Y313 PolarHBondContact O-N 2.78Å; L311-Y313 VanDerWaalsContact C-N 3.31Å; L311-Y313 PolarHBondContact O-N 3.04Å; Y313-H315 VanDerWaalsContact C-N 3.29Å; Y313-H315 PolarHBondContact O-N 3.24Å; Y313-Q316 PolarHBondContact O-N 3.04Å; Y313-A317 VanDerWaalsContact O-CB 3.26Å; Y313-A317 WeakPolarHBondContact O-CB 3.34Å; Y313-A317 PolarHBondContact O-N 2.89Å |
| 314 | L | 81.9 | Confident | 71.1 | Confident | 49 Ų | 49 | 118.4 Ų | 118.4 | 26% | 0.257 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.1 | -34.4 | 174.9 | -98.5 | 56.7 | 0 | 0 | 0 | 112.5 | L310 L311 G318 W319 | L310-L314 HydrophobicContact CD1-CD1 3.75Å; L310-L314 HydrophobicContact CG-CD1 4.15Å; L310-L314 WeakPolarHBondContact O-CB 3.42Å; L310-L314 WeakPolarHBondContact O-CD1 3.49Å; L310-L314 PolarHBondContact O-N 2.93Å; L311-L314 PolarHBondContact O-N 2.99Å; L314-G318 PolarHBondContact O-N 3.5Å; L314-W319 HydrophobicContact CD2-CE3 3.82Å; L314-W319 HydrophobicContact CD2-CZ3 4.11Å; L314-W319 HydrophobicContact CG-CE3 4.26Å; L314-W319 PolarHBondContact O-N 3.25Å |
| 315 | H | 76.6 | Confident | 69.3 | Low | 148 Ų | 148 | 121.2 Ų | 121.2 | 69% | 0.685 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.9 | -46.5 | 173 | -174.5 | -82.7 | 0 | 0 | 0 | 111.5 | L311 V312 Y313 A317 G318 | L311-H315 WeakPolarHBondContact O-CB 3.43Å; L311-H315 PolarHBondContact O-N 3.01Å; V312-H315 PolarHBondContact O-N 3.44Å; Y313-H315 VanDerWaalsContact C-N 3.29Å; Y313-H315 PolarHBondContact O-N 3.24Å; H315-A317 VanDerWaalsContact C-N 3.32Å; H315-A317 PolarHBondContact O-N 2.91Å; H315-G318 PolarHBondContact O-N 3.12Å |
| 316 | Q | 71.1 | Confident | 67.2 | Low | 150 Ų | 150 | 120.3 Ų | 120.3 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.2 | -33.2 | 174.9 | -73 | 179.5 | -3.1 | 0 | 0 | 113 | V312 Y313 G318 | V312-Q316 WeakPolarHBondContact O-CG 3.35Å; V312-Q316 PolarHBondContact O-N 3.05Å; Y313-Q316 PolarHBondContact O-N 3.04Å; Q316-G318 PolarHBondContact O-N 3.39Å |
| 317 | A | 70.8 | Confident | 65.2 | Low | 64 Ų | 64 | 119.8 Ų | 119.8 | 53% | 0.529 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.7 | -1.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y313 H315 W319 | Y313-A317 VanDerWaalsContact O-CB 3.26Å; Y313-A317 WeakPolarHBondContact O-CB 3.34Å; Y313-A317 PolarHBondContact O-N 2.89Å; H315-A317 VanDerWaalsContact C-N 3.32Å; H315-A317 PolarHBondContact O-N 2.91Å; A317-W319 VanDerWaalsContact C-N 3.31Å; A317-W319 PolarHBondContact O-N 2.99Å |
| 318 | G | 60.8 | Low | 63 | Low | 56 Ų | 56 | 127.4 Ų | 127.4 | 58% | 0.577 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.6 | 26 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L314 H315 Q316 F320 | L314-G318 PolarHBondContact O-N 3.5Å; H315-G318 PolarHBondContact O-N 3.12Å; Q316-G318 PolarHBondContact O-N 3.39Å; G318-F320 PolarHBondContact O-N 3.45Å |
| 319 | W | 64.6 | Low | 60.8 | Low | 183 Ų | 183 | 133.7 Ų | 133.7 | 69% | 0.693 | 68% | 0.683 | S | S | * | * | trans | -71.2 | -12.7 | -173.3 | -173.7 | 59.2 | 0 | 0 | 0 | 114.4 | L314 A317 P321 | L314-W319 HydrophobicContact CD2-CE3 3.82Å; L314-W319 HydrophobicContact CD2-CZ3 4.11Å; L314-W319 HydrophobicContact CG-CE3 4.26Å; L314-W319 PolarHBondContact O-N 3.25Å; A317-W319 VanDerWaalsContact C-N 3.31Å; A317-W319 PolarHBondContact O-N 2.99Å; W319-P321 WeakPolarHBondContact O-CD 3.36Å | ||
| 320 | F | 49.2 | Very low | 58.7 | Low | 140 Ų | 140 | 136.3 Ų | 136.3 | 61% | 0.614 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -81.1 | 118.3 | 171 | -82.5 | -82.4 | 0 | 0 | 0 | 110.9 | G318 F322 | G318-F320 PolarHBondContact O-N 3.45Å; F320-F322 PolarHBondContact O-N 2.89Å |
| 321 | P | 53.3 | Low | 56.3 | Low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | trans | -74.5 | 13.7 | -178.6 | 32.6 | -37 | 0 | 0 | 0 | 113.9 | W319 R323 | W319-P321 WeakPolarHBondContact O-CD 3.36Å; P321-R323 PolarHBondContact O-N 3.47Å | ||
| 322 | F | 48.4 | Very low | 54.2 | Low | 197 Ų | 197 | 135.5 Ų | 135.5 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | -84.4 | 43.2 | 178 | -114.9 | -84.5 | 0 | 0 | 0 | 112.6 | F320 Q324 | F320-F322 PolarHBondContact O-N 2.89Å; F322-Q324 PolarHBondContact O-N 3.34Å | ||
| 323 | R | 45.7 | Very low | 51.9 | Low | 224 Ų | 224 | 137.8 Ų | 137.8 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | -81.3 | 103 | 164.2 | -170.7 | 172.3 | -166 | 154.5 | 5.3 | 107.4 | P321 E325 | P321-R323 PolarHBondContact O-N 3.47Å; R323-E325 PolarHBondContact O-N 3.27Å | ||
| 324 | Q | 39.5 | Very low | 49.6 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | -48.7 | 130.5 | 166.1 | -94.5 | 177.9 | -23.5 | 0 | 0 | 109.4 | F322 G326 | F322-Q324 PolarHBondContact O-N 3.34Å; Q324-G326 PolarHBondContact O-N 2.97Å | ||
| 325 | E | 43.9 | Very low | 47.4 | Very low | 195 Ų | 195 | 142 Ų | 142 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | trans | -76.2 | 67.6 | 174.6 | -74.4 | 172.5 | 62.2 | 0 | 0 | 110 | R323 G327 | R323-E325 PolarHBondContact O-N 3.27Å; E325-G327 PolarHBondContact O-N 3.49Å | ||
| 326 | G | 40.1 | Very low | 45.3 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -62.4 | 88.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q324 H328 | Q324-G326 PolarHBondContact O-N 2.97Å; G326-H328 PolarHBondContact O-N 3.33Å | ||
| 327 | G | 41.8 | Very low | 43.8 | Very low | 63 Ų | 63 | 141.9 Ų | 141.9 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | -68.4 | 117.7 | -160 | 0 | 0 | 0 | 0 | 0 | 114.2 | E325 Q329 | E325-G327 PolarHBondContact O-N 3.49Å; G327-Q329 VanDerWaalsContact C-N 3.34Å | ||
| 328 | H | 38.4 | Very low | 42.2 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | trans | -95.7 | 64.7 | 153.2 | -89 | 85 | 0 | 0 | 0 | 109.7 | G326 Q330 | G326-H328 PolarHBondContact O-N 3.33Å; H328-Q330 PolarHBondContact O-N 2.95Å; H328-Q330 VanDerWaalsContact O-N 3.09Å | ||
| 329 | Q | 36.7 | Very low | 40.8 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -73.5 | 97.1 | 163.4 | -76.7 | -175.4 | 13.4 | 0 | 0 | 108.1 | G327 A331 | G327-Q329 VanDerWaalsContact C-N 3.34Å; Q329-A331 VanDerWaalsContact C-N 3.29Å; Q329-A331 PolarHBondContact O-N 3.02Å | ||
| 330 | Q | 36.6 | Very low | 39.5 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | -73 | 81.6 | -178 | -167.8 | 170.1 | 5.8 | 0 | 0 | 110.3 | H328 | H328-Q330 PolarHBondContact O-N 2.95Å; H328-Q330 VanDerWaalsContact O-N 3.09Å | ||
| 331 | A | 33.9 | Very low | 38.9 | Very low | 85 Ų | 85 | 146.9 Ų | 146.9 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 141.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q329 | Q329-A331 VanDerWaalsContact C-N 3.29Å; Q329-A331 PolarHBondContact O-N 3.02Å |
| 332 | P | 42.2 | Very low | 38.5 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 141.1 | -179 | 29.5 | -34.7 | 0 | 0 | 0 | 111.6 | N334 | P332-N334 PolarHBondContact O-N 3.47Š|
| 333 | N | 33.8 | Very low | 38.3 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 125.3 | 179.2 | 179.4 | 25.5 | 0 | 0 | 0 | 112.2 | ||
| 334 | N | 32.7 | Very low | 38.2 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -136.5 | 129.8 | 158.7 | -98 | -59.6 | 0 | 0 | 0 | 109.1 | P332 A336 | P332-N334 PolarHBondContact O-N 3.47Å; N334-A336 PolarHBondContact O-N 3.32Å | ||
| 335 | N | 35.3 | Very low | 38.6 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | -77.9 | 119.1 | -167.8 | -37.9 | -82.1 | 0 | 0 | 0 | 110.7 | ||||
| 336 | A | 33.4 | Very low | 38.6 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -131.1 | 95.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | N334 V338 | N334-A336 PolarHBondContact O-N 3.32Å; A336-V338 PolarHBondContact O-N 3Å | ||
| 337 | E | 38.8 | Very low | 38.7 | Very low | 197 Ų | 197 | 135 Ų | 135 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -80.2 | 95.1 | -175.5 | -176.3 | 176.6 | 103.6 | 0 | 0 | 111.2 | ||||
| 338 | V | 37.7 | Very low | 39.2 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -141.6 | 104.3 | 166.4 | 162.3 | 0 | 0 | 0 | 0 | 111.7 | A336 | A336-V338 PolarHBondContact O-N 3Š| ||
| 339 | N | 31.5 | Very low | 39.7 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 39.3 | 107.6 | 131.1 | -140 | 44.4 | 0 | 0 | 0 | 122.6 | ||||
| 340 | N | 37.1 | Very low | 40.6 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | 83.6 | 155 | 128.3 | -142.5 | 37.1 | 0 | 0 | 0 | 123.1 | |||||
| 341 | D | 35.3 | Very low | 41.5 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | 60.3 | 125.2 | 168.2 | -62.9 | -49.7 | 0 | 0 | 0 | 119.5 | ||||
| 342 | G | 45.3 | Very low | 42.5 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -107.2 | -167 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 343 | Q | 44.3 | Very low | 42.8 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 95% | 0.949 | 73% | 0.734 | S | S | * | * | trans | 70.9 | 47 | 172.7 | -51.6 | -176.1 | -10.7 | 0 | 0 | 117.8 | ||||
| 344 | N | 43.5 | Very low | 43.7 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | -147.9 | 37.6 | 159.1 | -151.6 | 12.7 | 0 | 0 | 0 | 117.3 | N347 | N344-N347 PolarHBondContact OD1-ND2 2.91Š| ||
| 345 | A | 48.2 | Very low | 44.7 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -81.2 | -27.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 346 | N | 43.1 | Very low | 45.6 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -88.5 | -7.9 | -165.7 | -58.8 | -49.7 | 0 | 0 | 0 | 115.5 | ||
| 347 | N | 43.4 | Very low | 46.4 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 58% | 0.583 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -88.7 | -23.8 | -178 | -74 | -62.1 | 0 | 0 | 0 | 113.6 | N344 | N344-N347 PolarHBondContact OD1-ND2 2.91Š|
| 348 | L | 52.8 | Low | 46.7 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -73.8 | -38.6 | -169.5 | -161.6 | 69.5 | 0 | 0 | 0 | 112.9 | L350 E351 E352 | L348-L350 VanDerWaalsContact C-N 3.28Å; L348-L350 PolarHBondContact O-N 2.87Å; L348-E351 PolarHBondContact O-N 2.95Å; L348-E352 PolarHBondContact O-N 3.19Å |
| 349 | E | 48.2 | Very low | 47.4 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -68.1 | -26.8 | -178.3 | -165.7 | 173 | 114.5 | 0 | 0 | 112.8 | ||
| 350 | L | 54.4 | Low | 48 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 69% | 0.686 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -78.5 | -37.9 | 179.9 | -159.2 | 71.1 | 0 | 0 | 0 | 112.2 | L348 E352 M353 E354 | L348-L350 VanDerWaalsContact C-N 3.28Å; L348-L350 PolarHBondContact O-N 2.87Å; L350-E352 VanDerWaalsContact C-N 3.33Å; L350-E352 PolarHBondContact O-N 3.38Å; L350-M353 PolarHBondContact O-N 2.97Å; L350-E354 PolarHBondContact O-N 3.45Å |
| 351 | E | 56.9 | Low | 48.2 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 53% | 0.528 | 74% | 0.735 | S | S | . | * | H | α-helix | trans | -78.4 | -14.9 | -178.6 | -147.9 | -168.7 | 106 | 0 | 0 | 113.4 | L348 R355 | L348-E351 PolarHBondContact O-N 2.95Å; E351-R355 PolarHBondContact O-NH1 3.02Å; E351-R355 IonicContact OE1-CZ 2.64Å; E351-R355 IonicContact OE1-NH1 3.37Å; E351-R355 PolarHBondContact OE1-NH1 3.03Å; E351-R355 IonicContact OE1-NH2 2.65Å; E351-R355 PolarHBondContact OE1-NH2 2.96Å; E351-R355 VanDerWaalsContact OE1-NH2 3.07Å |
| 352 | E | 55.3 | Low | 48.3 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 64% | 0.64 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -80.5 | -35.2 | 170.6 | -169.5 | 168.6 | -164.7 | 0 | 0 | 111.6 | L348 L350 | L348-E352 PolarHBondContact O-N 3.19Å; L350-E352 VanDerWaalsContact C-N 3.33Å; L350-E352 PolarHBondContact O-N 3.38Å |
| 353 | M | 46.6 | Very low | 47.9 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -69.7 | -33 | 178.3 | -171 | 168.6 | -67.5 | 0 | 0 | 113.1 | L350 | L350-M353 PolarHBondContact O-N 2.97Å |
| 354 | E | 53.1 | Low | 47.5 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -69.4 | -37 | 178.6 | -164.9 | 165.3 | 105.3 | 0 | 0 | 112.2 | L350 L356 M357 | L350-E354 PolarHBondContact O-N 3.45Å; E354-L356 VanDerWaalsContact C-N 3.32Å; E354-L356 PolarHBondContact O-N 3.4Å; E354-M357 PolarHBondContact O-N 3Å |
| 355 | R | 55.1 | Low | 47.1 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 61% | 0.611 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -68.6 | -23.1 | -179 | -78.7 | -170.3 | 175.2 | 83.4 | 0.8 | 115.1 | E351 M357 | E351-R355 PolarHBondContact O-NH1 3.02Å; E351-R355 IonicContact OE1-CZ 2.64Å; E351-R355 IonicContact OE1-NH1 3.37Å; E351-R355 PolarHBondContact OE1-NH1 3.03Å; E351-R355 IonicContact OE1-NH2 2.65Å; E351-R355 PolarHBondContact OE1-NH2 2.96Å; E351-R355 VanDerWaalsContact OE1-NH2 3.07Å; R355-M357 VanDerWaalsContact C-N 3.26Å; R355-M357 PolarHBondContact O-N 3.41Å |
| 356 | L | 52.8 | Low | 46.2 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 2.5 | -178 | -72.8 | 171.4 | 0 | 0 | 0 | 114 | E354 | E354-L356 VanDerWaalsContact C-N 3.32Å; E354-L356 PolarHBondContact O-N 3.4Å |
| 357 | M | 50.9 | Low | 45.8 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -2.1 | -176.8 | -146.9 | 171.5 | -65.2 | 0 | 0 | 114.5 | E354 R355 | E354-M357 PolarHBondContact O-N 3Å; R355-M357 VanDerWaalsContact C-N 3.26Å; R355-M357 PolarHBondContact O-N 3.41Å |
| 358 | D | 46 | Very low | 45.4 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -32.7 | -170.7 | -159.8 | 47.2 | 0 | 0 | 0 | 113.4 | G360 | D358-G360 PolarHBondContact O-N 3.38Š|
| 359 | D | 50.9 | Low | 44.5 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 72.4 | -173.4 | -168.1 | 33.3 | 0 | 0 | 0 | 112.5 | ||
| 360 | G | 43.9 | Very low | 43.6 | Very low | 67 Ų | 67 | 141.2 Ų | 141.2 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.6 | 5.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | D358 | D358-G360 PolarHBondContact O-N 3.38Š|
| 361 | L | 42 | Very low | 42.8 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -145.5 | 82.8 | 176.3 | -83.3 | 179.9 | 0 | 0 | 0 | 113.9 | ||||
| 362 | E | 36.6 | Very low | 41.6 | Very low | 205 Ų | 205 | 146.7 Ų | 146.7 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -129.5 | 154.3 | 155.7 | -66.9 | -162.4 | 152 | 0 | 0 | 110 | ||||
| 363 | D | 37.3 | Very low | 40.6 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -121.8 | 178 | -162.1 | -171.1 | 18 | 0 | 0 | 0 | 112.2 | ||||
| 364 | E | 36.8 | Very low | 40.1 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | 118.1 | 89.8 | 150.2 | -158.6 | 172.6 | 106.2 | 0 | 0 | 118.6 | ||||
| 365 | S | 34.2 | Very low | 39.3 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 73.5 | 150.7 | 138.7 | 85.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 366 | G | 30.9 | Very low | 38.6 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | 157.6 | 115.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 367 | E | 34.1 | Very low | 37.9 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | trans | -100.6 | 141.1 | -168.4 | -60.7 | 164 | 110.7 | 0 | 0 | 113.4 | ||||
| 368 | D | 33.8 | Very low | 37.6 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | 149 | 152.2 | 125.5 | -163.3 | 26.9 | 0 | 0 | 0 | 114.6 | |||||
| 369 | A | 34.5 | Very low | 37.8 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | 20.9 | 119.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 370 | G | 29.7 | Very low | 38 | Very low | 82 Ų | 82 | 134.6 Ų | 134.6 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -179.8 | 102 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 371 | E | 37.1 | Very low | 39 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -65 | 148.6 | -170.4 | -59.4 | 166.4 | 115.5 | 0 | 0 | 117.3 | ||||
| 372 | D | 32.6 | Very low | 39.8 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | 99 | 152.9 | 140.3 | -147.2 | 13.3 | 0 | 0 | 0 | 122.4 | ||||
| 373 | A | 34 | Very low | 41.1 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | trans | 56.4 | 95.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | A375 | A373-A375 PolarHBondContact O-N 3.03Š| ||
| 374 | S | 35.6 | Very low | 42.7 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | trans | -65.2 | 92.4 | 171.2 | -50.1 | 0 | 0 | 0 | 0 | 114.1 | V376 | S374-V376 PolarHBondContact O-N 3.48Š| ||
| 375 | A | 37.3 | Very low | 44.3 | Very low | 89 Ų | 89 | 119.8 Ų | 119.8 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | -95.6 | 49.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A373 Q377 | A373-A375 PolarHBondContact O-N 3.03Å; A375-Q377 PolarHBondContact O-N 2.99Å | ||
| 376 | V | 40 | Very low | 46 | Very low | 122 Ų | 122 | 122.6 Ų | 122.6 | 74% | 0.739 | 72% | 0.723 | S | S | * | * | trans | -64.8 | 98.9 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | S374 R378 | S374-V376 PolarHBondContact O-N 3.48Å; V376-R378 VanDerWaalsContact C-N 3.35Å; V376-R378 PolarHBondContact O-N 3.39Å | ||
| 377 | Q | 37.8 | Very low | 48.1 | Very low | 186 Ų | 186 | 122.3 Ų | 122.3 | 87% | 0.869 | 71% | 0.709 | S | S | * | * | trans | -66.4 | 94.9 | 173.1 | -67.5 | -164.8 | 21 | 0 | 0 | 109.1 | A375 | A375-Q377 PolarHBondContact O-N 2.99Š| ||
| 378 | R | 45.3 | Very low | 50.2 | Low | 219 Ų | 219 | 120.8 Ų | 120.8 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 132 | 173.8 | -63.3 | -179 | 177.7 | -162.7 | -2.2 | 108.7 | V376 G380 | V376-R378 VanDerWaalsContact C-N 3.35Å; V376-R378 PolarHBondContact O-N 3.39Å; R378-G380 PolarHBondContact O-N 3.14Å; R378-G380 VanDerWaalsContact O-N 3.08Å |
| 379 | P | 49.8 | Very low | 52.3 | Low | 108 Ų | 108 | 117.3 Ų | 117.3 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 122.8 | 166.6 | 24.6 | -32.6 | 0 | 0 | 0 | 107.6 | A383 | P379-A383 HydrophobicContact CB-CB 4.37Š|
| 380 | G | 55.1 | Low | 53.9 | Low | 45 Ų | 45 | 116.1 Ų | 116.1 | 46% | 0.464 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 153.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R378 M382 A383 S384 | R378-G380 PolarHBondContact O-N 3.14Å; R378-G380 VanDerWaalsContact O-N 3.08Å; G380-M382 PolarHBondContact O-N 3.17Å; G380-A383 WeakPolarHBondContact O-CA 3.47Å; G380-A383 WeakPolarHBondContact O-CB 3.41Å; G380-A383 PolarHBondContact O-N 3.15Å; G380-S384 PolarHBondContact O-N 3.36Å |
| 381 | L | 63.7 | Low | 56 | Low | 154 Ų | 154 | 116.7 Ų | 116.7 | 81% | 0.806 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -55.9 | -22.8 | -177.7 | -67.1 | 170.3 | 0 | 0 | 0 | 113.6 | S384 A385 | L381-S384 PolarHBondContact O-OG 2.87Å; L381-S384 VanDerWaalsContact O-OG 3.13Å; L381-A385 VanDerWaalsContact O-CB 3.27Å; L381-A385 WeakPolarHBondContact O-CB 3.39Å; L381-A385 PolarHBondContact O-N 2.91Å |
| 382 | M | 60 | Low | 57.8 | Low | 163 Ų | 163 | 113.4 Ų | 113.4 | 80% | 0.803 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.3 | -33.7 | 171.9 | -64.7 | -60.3 | 180 | 0 | 0 | 113.4 | G380 W386 | G380-M382 PolarHBondContact O-N 3.17Å; M382-W386 VanDerWaalsContact O-CB 3.23Å; M382-W386 WeakPolarHBondContact O-CB 3.47Å; M382-W386 PolarHBondContact O-N 3.24Å |
| 383 | A | 63.5 | Low | 59.5 | Low | 47 Ų | 47 | 111.8 Ų | 111.8 | 39% | 0.388 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.3 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P379 G380 W386 S387 | P379-A383 HydrophobicContact CB-CB 4.37Å; G380-A383 WeakPolarHBondContact O-CA 3.47Å; G380-A383 WeakPolarHBondContact O-CB 3.41Å; G380-A383 PolarHBondContact O-N 3.15Å; A383-W386 WeakPolarHBondContact O-CB 3.45Å; A383-W386 PolarHBondContact O-N 3.42Å; A383-S387 PolarHBondContact O-N 3.09Å; A383-S387 PolarHBondContact O-OG 3.49Å |
| 384 | S | 70.3 | Confident | 60.9 | Low | 57 Ų | 57 | 112.3 Ų | 112.3 | 40% | 0.399 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.6 | -36.1 | 174.4 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | G380 L381 F388 | G380-S384 PolarHBondContact O-N 3.36Å; L381-S384 PolarHBondContact O-OG 2.87Å; L381-S384 VanDerWaalsContact O-OG 3.13Å; S384-F388 PolarHBondContact O-N 3.03Å |
| 385 | A | 70.3 | Confident | 62.2 | Low | 42 Ų | 42 | 111 Ų | 111 | 35% | 0.347 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65 | -39.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L381 F388 I389 | L381-A385 VanDerWaalsContact O-CB 3.27Å; L381-A385 WeakPolarHBondContact O-CB 3.39Å; L381-A385 PolarHBondContact O-N 2.91Å; A385-F388 PolarHBondContact O-N 3.34Å; A385-I389 VanDerWaalsContact O-CG1 3.29Å; A385-I389 WeakPolarHBondContact O-CG1 3.42Å; A385-I389 PolarHBondContact O-N 2.95Å |
| 386 | W | 71.2 | Confident | 63.2 | Low | 176 Ų | 176 | 111.8 Ų | 111.8 | 67% | 0.667 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.2 | -49.1 | 175.6 | -174.7 | -107.3 | 0 | 0 | 0 | 111.4 | M382 A383 F388 I389 T390 | M382-W386 VanDerWaalsContact O-CB 3.23Å; M382-W386 WeakPolarHBondContact O-CB 3.47Å; M382-W386 PolarHBondContact O-N 3.24Å; A383-W386 WeakPolarHBondContact O-CB 3.45Å; A383-W386 PolarHBondContact O-N 3.42Å; W386-F388 VanDerWaalsContact C-N 3.34Å; W386-F388 PolarHBondContact O-N 3.46Å; W386-I389 PolarHBondContact O-N 2.94Å; W386-T390 PolarHBondContact O-N 3.29Å; W386-T390 PolarHBondContact O-OG1 3.03Å |
| 387 | S | 75.3 | Confident | 64 | Low | 70 Ų | 70 | 112 Ų | 112 | 49% | 0.49 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -56.3 | -45.8 | 173.1 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | A383 I389 T390 T391 | A383-S387 PolarHBondContact O-N 3.09Å; A383-S387 PolarHBondContact O-OG 3.49Å; S387-I389 VanDerWaalsContact C-N 3.34Å; S387-I389 PolarHBondContact O-N 3.41Å; S387-T390 PolarHBondContact O-N 3.01Å; S387-T391 WeakPolarHBondContact O-CB 3.47Å; S387-T391 PolarHBondContact O-N 3.22Å; S387-T391 PolarHBondContact O-OG1 2.87Å; S387-T391 VanDerWaalsContact O-OG1 3.11Å |
| 388 | F | 78.2 | Confident | 64.3 | Low | 169 Ų | 169 | 108.7 Ų | 108.7 | 74% | 0.741 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.2 | -42.8 | 176.9 | -113 | -81.3 | 0 | 0 | 0 | 112.8 | S384 A385 W386 F392 | S384-F388 PolarHBondContact O-N 3.03Å; A385-F388 PolarHBondContact O-N 3.34Å; W386-F388 VanDerWaalsContact C-N 3.34Å; W386-F388 PolarHBondContact O-N 3.46Å; F388-F392 WeakPolarHBondContact O-CB 3.07Å; F388-F392 PolarHBondContact O-N 3.15Å |
| 389 | I | 76.9 | Confident | 64.8 | Low | 86 Ų | 86 | 107.1 Ų | 107.1 | 44% | 0.441 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.4 | -46.7 | 176.8 | -71.8 | 165.6 | 0 | 0 | 0 | 110.4 | A385 W386 S387 F392 F393 | A385-I389 VanDerWaalsContact O-CG1 3.29Å; A385-I389 WeakPolarHBondContact O-CG1 3.42Å; A385-I389 PolarHBondContact O-N 2.95Å; W386-I389 PolarHBondContact O-N 2.94Å; S387-I389 VanDerWaalsContact C-N 3.34Å; S387-I389 PolarHBondContact O-N 3.41Å; I389-F392 PolarHBondContact O-N 2.84Å; I389-F393 HydrophobicContact CG2-CD2 3.9Å; I389-F393 HydrophobicContact CG2-CE2 4.01Å; I389-F393 VanDerWaalsContact O-CD2 3.3Å; I389-F393 WeakPolarHBondContact O-CD2 3.46Å; I389-F393 PolarHBondContact O-N 3.31Å |
| 390 | T | 68.9 | Low | 65 | Low | 64 Ų | 64 | 104.5 Ų | 104.5 | 39% | 0.393 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.4 | -49.8 | 179.6 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | W386 S387 F392 F393 T394 | W386-T390 PolarHBondContact O-N 3.29Å; W386-T390 PolarHBondContact O-OG1 3.03Å; S387-T390 PolarHBondContact O-N 3.01Å; T390-F392 VanDerWaalsContact C-N 3.31Å; T390-F392 PolarHBondContact O-N 3.13Å; T390-F393 PolarHBondContact O-N 3.33Å; T390-T394 PolarHBondContact O-N 3.17Å; T390-T394 PolarHBondContact O-OG1 2.91Å |
| 391 | T | 73.1 | Confident | 64.6 | Low | 94 Ų | 94 | 108.3 Ų | 108.3 | 58% | 0.577 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.3 | -33.8 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | S387 T394 S395 | S387-T391 WeakPolarHBondContact O-CB 3.47Å; S387-T391 PolarHBondContact O-N 3.22Å; S387-T391 PolarHBondContact O-OG1 2.87Å; S387-T391 VanDerWaalsContact O-OG1 3.11Å; T391-T394 WeakPolarHBondContact CA-OG1 3.48Å; T391-T394 PolarHBondContact O-OG1 3.32Å; T391-T394 VanDerWaalsContact O-OG1 3.12Å; T391-S395 VanDerWaalsContact O-CB 3.25Å; T391-S395 WeakPolarHBondContact O-CB 3.38Å; T391-S395 PolarHBondContact O-N 3.46Å |
| 392 | F | 74.5 | Confident | 64.1 | Low | 126 Ų | 126 | 106.4 Ų | 106.4 | 55% | 0.553 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65 | -40.7 | 174.1 | -179 | -97 | 0 | 0 | 0 | 112 | F388 I389 T390 L396 | F388-F392 WeakPolarHBondContact O-CB 3.07Å; F388-F392 PolarHBondContact O-N 3.15Å; I389-F392 PolarHBondContact O-N 2.84Å; T390-F392 VanDerWaalsContact C-N 3.31Å; T390-F392 PolarHBondContact O-N 3.13Å; F392-L396 HydrophobicContact CD1-CD1 4.02Å; F392-L396 HydrophobicContact CE1-CD1 3.62Å; F392-L396 HydrophobicContact CZ-CD1 4.16Å; F392-L396 WeakPolarHBondContact O-CG 3.49Å; F392-L396 PolarHBondContact O-N 3.46Å |
| 393 | F | 68.3 | Low | 63.1 | Low | 130 Ų | 130 | 107.9 Ų | 107.9 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -77 | -32.6 | 178.1 | -79.7 | -68 | 0 | 0 | 0 | 113.9 | I389 T390 S395 L396 | I389-F393 HydrophobicContact CG2-CD2 3.9Å; I389-F393 HydrophobicContact CG2-CE2 4.01Å; I389-F393 VanDerWaalsContact O-CD2 3.3Å; I389-F393 WeakPolarHBondContact O-CD2 3.46Å; I389-F393 PolarHBondContact O-N 3.31Å; T390-F393 PolarHBondContact O-N 3.33Å; F393-S395 VanDerWaalsContact C-N 3.32Å; F393-L396 HydrophobicContact CD1-CD1 3.99Å; F393-L396 HydrophobicContact CE1-CD1 4.22Å; F393-L396 PolarHBondContact O-N 3.21Å |
| 394 | T | 63.5 | Low | 62.3 | Low | 86 Ų | 86 | 111.7 Ų | 111.7 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66 | -37 | 169.8 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | T390 T391 L396 I397 | T390-T394 PolarHBondContact O-N 3.17Å; T390-T394 PolarHBondContact O-OG1 2.91Å; T391-T394 WeakPolarHBondContact CA-OG1 3.48Å; T391-T394 PolarHBondContact O-OG1 3.32Å; T391-T394 VanDerWaalsContact O-OG1 3.12Å; T394-L396 PolarHBondContact O-N 3.32Å; T394-L396 VanDerWaalsContact O-N 3.14Å; T394-I397 PolarHBondContact O-N 3.36Å |
| 395 | S | 62.4 | Low | 61 | Low | 97 Ų | 97 | 113.2 Ų | 113.2 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -8.3 | 173.8 | -175.2 | 0 | 0 | 0 | 0 | 114.9 | T391 F393 | T391-S395 VanDerWaalsContact O-CB 3.25Å; T391-S395 WeakPolarHBondContact O-CB 3.38Å; T391-S395 PolarHBondContact O-N 3.46Å; F393-S395 VanDerWaalsContact C-N 3.32Å |
| 396 | L | 58.6 | Low | 59.5 | Low | 106 Ų | 106 | 122.4 Ų | 122.4 | 56% | 0.555 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -3.2 | 176.1 | -74.9 | 170.4 | 0 | 0 | 0 | 113.4 | F392 F393 T394 | F392-L396 HydrophobicContact CD1-CD1 4.02Å; F392-L396 HydrophobicContact CE1-CD1 3.62Å; F392-L396 HydrophobicContact CZ-CD1 4.16Å; F392-L396 WeakPolarHBondContact O-CG 3.49Å; F392-L396 PolarHBondContact O-N 3.46Å; F393-L396 HydrophobicContact CD1-CD1 3.99Å; F393-L396 HydrophobicContact CE1-CD1 4.22Å; F393-L396 PolarHBondContact O-N 3.21Å; T394-L396 PolarHBondContact O-N 3.32Å; T394-L396 VanDerWaalsContact O-N 3.14Å |
| 397 | I | 57.4 | Low | 58.9 | Low | 126 Ų | 126 | 119.8 Ų | 119.8 | 65% | 0.646 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -90.2 | 118.2 | 171 | -59.5 | 171.6 | 0 | 0 | 0 | 107.3 | T394 E399 | T394-I397 PolarHBondContact O-N 3.36Å; I397-E399 PolarHBondContact O-N 2.74Å |
| 398 | P | 45 | Very low | 58 | Low | 117 Ų | 117 | 122.4 Ų | 122.4 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 127 | 175.8 | -17.7 | 31.7 | 0 | 0 | 0 | 110.4 | G400 | P398-G400 PolarHBondContact O-N 2.95Š|
| 399 | E | 55.8 | Low | 56.9 | Low | 187 Ų | 187 | 119.8 Ų | 119.8 | 87% | 0.874 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 128.6 | 168.6 | -71.9 | -65.4 | 170.1 | 0 | 0 | 110.3 | I397 | I397-E399 PolarHBondContact O-N 2.74Š|
| 400 | G | 53.5 | Low | 55.8 | Low | 53 Ų | 53 | 121.8 Ų | 121.8 | 55% | 0.546 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 152 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P398 | P398-G400 PolarHBondContact O-N 2.95Š|
| 401 | P | 45.7 | Very low | 54.9 | Low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 137.6 | 176.9 | -22.3 | 33.2 | 0 | 0 | 0 | 111.2 | Q403 | P401-Q403 PolarHBondContact O-N 3.32Š|
| 402 | P | 53.1 | Low | 53.7 | Low | 113 Ų | 113 | 127.5 Ų | 127.5 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 129.5 | 178 | 25.8 | -33.9 | 0 | 0 | 0 | 110.4 | V404 | P402-V404 PolarHBondContact O-N 3.36Å; P402-V404 VanDerWaalsContact O-N 3.07Å |
| 403 | Q | 40 | Very low | 52.2 | Low | 194 Ų | 194 | 127.6 Ų | 127.6 | 91% | 0.907 | 74% | 0.741 | S | S | * | * | trans | -63.5 | 107.5 | 172.6 | -70.3 | -79.9 | 24.3 | 0 | 0 | 109.1 | P401 A405 | P401-Q403 PolarHBondContact O-N 3.32Å; Q403-A405 PolarHBondContact O-N 3.03Å | ||
| 404 | V | 46.3 | Very low | 51 | Low | 128 Ų | 128 | 127.4 Ų | 127.4 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -78.5 | 117.6 | 176 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | P402 | P402-V404 PolarHBondContact O-N 3.36Å; P402-V404 VanDerWaalsContact O-N 3.07Å | ||
| 405 | A | 42.6 | Very low | 50 | Low | 89 Ų | 89 | 130.8 Ų | 130.8 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -66.6 | 142.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q403 | Q403-A405 PolarHBondContact O-N 3.03Š| ||
| 406 | N | 39.4 | Very low | 48.8 | Very low | 235 Ų | 235 | 133.9 Ų | 133.9 | 100% | 1.257 | 78% | 0.782 | S | S | * | * | trans | -150.1 | 0 | 160 | -106.2 | -111.2 | 0 | 0 | 0 | 108 |
Retrieved 406 of 406 residues in 540.6 ms
(Link to these results)