| 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 | 35.7 | Very low | 58.6 | Low | 227 Ų | 227 | 122.1 Ų | 122.1 | 100% | 1.118 | 70% | 0.704 | S | S | * | * | 0 | 133.1 | 0 | -74.9 | 89.7 | 100.4 | 0 | 0 | 108.9 | |||||
| 2 | S | 47.4 | Very low | 61.1 | Low | 128 Ų | 128 | 117.3 Ų | 117.3 | 90% | 0.895 | 67% | 0.673 | S | S | * | * | trans | -67.7 | 124.6 | 172.5 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | S | 49.3 | Very low | 63.2 | Low | 116 Ų | 116 | 119 Ų | 119 | 81% | 0.811 | 67% | 0.668 | S | S | * | * | trans | -112.5 | 93.5 | -176.9 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4 | S | 52.8 | Low | 65 | Low | 113 Ų | 113 | 113.7 Ų | 113.7 | 79% | 0.79 | 64% | 0.64 | S | S | * | * | trans | 39.9 | 117.4 | 150.5 | -140.4 | 0 | 0 | 0 | 0 | 121.3 | F6 | S4-F6 PolarHBondContact O-N 3.44Š| ||
| 5 | D | 46.6 | Very low | 66.6 | Low | 163 Ų | 163 | 121.1 Ų | 121.1 | 87% | 0.872 | 66% | 0.662 | S | S | * | * | trans | -71 | 65.7 | 176.6 | -58.3 | -60.3 | 0 | 0 | 0 | 115.2 | ||||
| 6 | F | 54.5 | Low | 68 | Low | 146 Ų | 146 | 120.6 Ų | 120.6 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | trans | -90 | 103.4 | 164.2 | -168.7 | -102 | 0 | 0 | 0 | 109.5 | S4 G8 V10 | S4-F6 PolarHBondContact O-N 3.44Å; F6-G8 WeakPolarHBondContact CD1-O 3.33Å; F6-G8 PolarHBondContact O-N 3.33Å; F6-V10 HydrophobicContact CD1-CG2 4.09Å | ||
| 7 | V | 59.2 | Low | 68.9 | Low | 154 Ų | 154 | 116.5 Ų | 116.5 | 93% | 0.933 | 66% | 0.656 | S | S | * | * | trans | -79.3 | 54.7 | -179.4 | -166 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | G | 66.5 | Low | 70 | Confident | 33 Ų | 33 | 114.3 Ų | 114.3 | 34% | 0.34 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -163.2 | 164.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | F6 V10 | F6-G8 WeakPolarHBondContact CD1-O 3.33Å; F6-G8 PolarHBondContact O-N 3.33Å; G8-V10 PolarHBondContact O-N 3.29Å |
| 9 | D | 70.5 | Confident | 71.1 | Confident | 96 Ų | 96 | 108.6 Ų | 108.6 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | trans | -60.4 | 113.8 | 175.8 | -81.4 | -17.3 | 0 | 0 | 0 | 109.8 | R11 I21 | D9-R11 HydrophobicContact CB-CG 4.4Å; D9-R11 PolarHBondContact O-N 2.92Å; D9-I21 HydrophobicContact CB-CD1 4.39Å | ||
| 10 | V | 77.1 | Confident | 72.1 | Confident | 88 Ų | 88 | 106.6 Ų | 106.6 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | trans | -68.9 | 99.6 | 173.9 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | F6 G8 | F6-V10 HydrophobicContact CD1-CG2 4.09Å; G8-V10 PolarHBondContact O-N 3.29Å | ||
| 11 | R | 85.1 | Confident | 72.9 | Confident | 79 Ų | 79 | 103.6 Ų | 103.6 | 30% | 0.298 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.5 | 179.2 | -67.7 | 179.7 | -171.5 | -160.9 | 8.8 | 110.6 | D9 T19 Y41 | D9-R11 HydrophobicContact CB-CG 4.4Å; D9-R11 PolarHBondContact O-N 2.92Å; R11-T19 HydrophobicContact CB-CG2 3.77Å; R11-T19 HydrophobicContact CG-CG2 4.21Å; R11-Y41 PolarHBondContact NH1-O 2.97Å; R11-Y41 PolarHBondContact NH2-O 3.23Å |
| 12 | I | 88.6 | Confident | 75.6 | Confident | 65 Ų | 65 | 95 Ų | 95 | 33% | 0.333 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.6 | 177.1 | -55.5 | 175.6 | 0 | 0 | 0 | 108.4 | T19 Y20 A22 | I12-T19 WeakPolarHBondContact O-CA 3.47Å; I12-Y20 HydrophobicContact CB-CE1 4.06Å; I12-Y20 HydrophobicContact CB-CE2 4.44Å; I12-Y20 HydrophobicContact CD1-CE2 4.45Å; I12-Y20 HydrophobicContact CG2-CE1 3.95Å; I12-Y20 PolarHBondContact N-O 3.31Å; I12-Y20 WeakPolarHBondContact O-CD1 3.49Å; I12-Y20 PolarHBondContact O-N 3.24Å; I12-A22 HydrophobicContact CD1-CB 3.96Å |
| 13 | K | 88.6 | Confident | 77.7 | Confident | 139 Ų | 139 | 91.2 Ų | 91.2 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.6 | 174.3 | -59.8 | -162.3 | -178.5 | -154.2 | 0 | 110.1 | T19 D39 | K13-T19 HydrophobicContact CG-CG2 4.49Å; K13-D39 IonicContact NZ-OD1 2.66Å; K13-D39 PolarHBondContact NZ-OD1 3.48Å; K13-D39 IonicContact NZ-OD2 2.88Å |
| 14 | T | 88.3 | Confident | 79.7 | Confident | 45 Ų | 45 | 88.6 Ų | 88.6 | 28% | 0.276 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 161.7 | 172.2 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | T16 G17 E18 Y20 | T14-T16 PolarHBondContact O-N 3.49Å; T14-T16 PolarHBondContact OG1-OG1 3.07Å; T14-G17 PolarHBondContact O-N 3.34Å; T14-E18 PolarHBondContact N-O 3.19Å; T14-E18 WeakPolarHBondContact OG1-CA 3.49Å; T14-E18 VanDerWaalsContact OG1-CB 3.3Å; T14-E18 WeakPolarHBondContact OG1-CB 3.33Å; T14-E18 PolarHBondContact OG1-N 2.83Å; T14-E18 PolarHBondContact OG1-O 3.28Å; T14-Y20 HydrophobicContact CG2-CD1 3.84Å; T14-Y20 HydrophobicContact CG2-CE1 3.4Å; T14-Y20 VanDerWaalsContact CG2-CE1 3.4Å |
| 15 | K | 89.5 | Confident | 81.6 | Confident | 224 Ų | 224 | 88.2 Ų | 88.2 | 97% | 0.974 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.3 | 173 | -65 | -179 | -179.3 | -178.6 | 0 | 113.1 | G17 | K15-G17 PolarHBondContact O-N 3.17Š|
| 16 | T | 88.3 | Confident | 83.8 | Confident | 114 Ų | 114 | 84.8 Ų | 84.8 | 70% | 0.699 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -0.6 | 176.4 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | T14 | T14-T16 PolarHBondContact O-N 3.49Å; T14-T16 PolarHBondContact OG1-OG1 3.07Å |
| 17 | G | 83.9 | Confident | 85.6 | Confident | 51 Ų | 51 | 83.5 Ų | 83.5 | 53% | 0.526 | 47% | 0.474 | S | S | . | . | S | Bend | trans | 87.7 | 1.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T14 K15 | T14-G17 PolarHBondContact O-N 3.34Å; K15-G17 PolarHBondContact O-N 3.17Å |
| 18 | E | 88.8 | Confident | 87.2 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | trans | -78.8 | 131.5 | 176.9 | -48.5 | -176.8 | 162.8 | 0 | 0 | 110.6 | T14 R36 | T14-E18 PolarHBondContact N-O 3.19Å; T14-E18 WeakPolarHBondContact OG1-CA 3.49Å; T14-E18 VanDerWaalsContact OG1-CB 3.3Å; T14-E18 WeakPolarHBondContact OG1-CB 3.33Å; T14-E18 PolarHBondContact OG1-N 2.83Å; T14-E18 PolarHBondContact OG1-O 3.28Å; E18-R36 VanDerWaalsContact CD-CZ 3.42Å; E18-R36 IonicContact OE1-CZ 3.85Å; E18-R36 IonicContact OE1-NH1 2.68Å; E18-R36 IonicContact OE1-NH2 3.71Å; E18-R36 PolarHBondContact OE1-NH2 3.44Å; E18-R36 IonicContact OE2-CZ 2.8Å; E18-R36 IonicContact OE2-NE 3.76Å; E18-R36 PolarHBondContact OE2-NE 3.01Å; E18-R36 IonicContact OE2-NH1 2.73Å; E18-R36 IonicContact OE2-NH2 3.06Å; E18-R36 PolarHBondContact OE2-NH2 2.98Å | ||
| 19 | T | 90.3 | Very high | 88.5 | Confident | 6 Ų | 6 | 81.8 Ų | 81.8 | 4% | 0.037 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.8 | 173.7 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | R11 I12 K13 V37 D39 | R11-T19 HydrophobicContact CB-CG2 3.77Å; R11-T19 HydrophobicContact CG-CG2 4.21Å; I12-T19 WeakPolarHBondContact O-CA 3.47Å; K13-T19 HydrophobicContact CG-CG2 4.49Å; T19-V37 WeakPolarHBondContact CB-O 3.47Å; T19-V37 HydrophobicContact CG2-CB 4.49Å; T19-V37 PolarHBondContact O-N 3.39Å; T19-D39 PolarHBondContact OG1-OD1 3.07Å |
| 20 | Y | 91.6 | Very high | 89.6 | Confident | 69 Ų | 69 | 80.2 Ų | 80.2 | 27% | 0.271 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 154.3 | 178.3 | 70.5 | -81.2 | 0 | 0 | 0 | 113.1 | I12 T14 A34 R35 | I12-Y20 HydrophobicContact CB-CE1 4.06Å; I12-Y20 HydrophobicContact CB-CE2 4.44Å; I12-Y20 HydrophobicContact CD1-CE2 4.45Å; I12-Y20 HydrophobicContact CG2-CE1 3.95Å; I12-Y20 PolarHBondContact N-O 3.31Å; I12-Y20 WeakPolarHBondContact O-CD1 3.49Å; I12-Y20 PolarHBondContact O-N 3.24Å; T14-Y20 HydrophobicContact CG2-CD1 3.84Å; T14-Y20 HydrophobicContact CG2-CE1 3.4Å; T14-Y20 VanDerWaalsContact CG2-CE1 3.4Å; Y20-A34 HydrophobicContact CD2-CB 4.03Å; Y20-A34 HydrophobicContact CE2-CB 4.49Å; Y20-R35 CarbonylContact C-O 3.42Å; Y20-R35 WeakPolarHBondContact CA-O 3.27Å; Y20-R35 VanDerWaalsContact CB-O 3.29Å; Y20-R35 WeakPolarHBondContact CB-O 3.36Å |
| 21 | I | 89.4 | Confident | 90.4 | Very high | 44 Ų | 44 | 83.9 Ų | 83.9 | 23% | 0.226 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 129.7 | 167.1 | -58.9 | 166.9 | 0 | 0 | 0 | 107.4 | D9 A34 R35 V37 | D9-I21 HydrophobicContact CB-CD1 4.39Å; I21-A34 CarbonylContact O-C 3.58Å; I21-A34 VanDerWaalsContact O-CA 3.26Å; I21-A34 WeakPolarHBondContact O-CA 3Å; I21-A34 WeakPolarHBondContact O-CB 3.31Å; I21-R35 HydrophobicContact CB-CB 4.35Å; I21-R35 PolarHBondContact N-O 3.26Å; I21-R35 PolarHBondContact O-N 3.44Å; I21-V37 HydrophobicContact CD1-CG2 3.75Å; I21-V37 HydrophobicContact CG1-CG2 3.72Å |
| 22 | A | 90.8 | Very high | 90.8 | Very high | 45 Ų | 45 | 85.4 Ų | 85.4 | 37% | 0.372 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 157.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | I12 | I12-A22 HydrophobicContact CD1-CB 3.96Š|
| 23 | A | 91.7 | Very high | 91.1 | Very high | 49 Ų | 49 | 90.5 Ų | 90.5 | 41% | 0.405 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 142.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | W31 R32 A34 | A23-W31 HydrophobicContact CB-CE3 4.27Å; A23-R32 CarbonylContact C-O 3.54Å; A23-R32 WeakPolarHBondContact CA-O 3.33Å; A23-R32 VanDerWaalsContact CB-O 3.25Å; A23-R32 WeakPolarHBondContact CB-O 3.18Å; A23-A34 HydrophobicContact CB-CB 4.47Å |
| 24 | S | 92.8 | Very high | 91.2 | Very high | 61 Ų | 61 | 86.1 Ų | 86.1 | 43% | 0.427 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.4 | -175.5 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | R32 | S24-R32 PolarHBondContact N-O 3.29Å; S24-R32 WeakPolarHBondContact O-CA 3.49Å; S24-R32 WeakPolarHBondContact O-CB 3.35Å; S24-R32 WeakPolarHBondContact O-CG 3.47Å; S24-R32 PolarHBondContact O-N 3.34Å |
| 25 | Q | 92.3 | Very high | 91.4 | Very high | 106 Ų | 106 | 91.6 Ų | 91.6 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 145 | -179.5 | -160.1 | 178.6 | 16.9 | 0 | 0 | 111.8 | G29 W31 R32 | Q25-G29 PolarHBondContact NE2-O 2.9Å; Q25-W31 HydrophobicContact CB-CD2 4.29Å; Q25-W31 HydrophobicContact CB-CE3 4.21Å; Q25-W31 HydrophobicContact CB-CH2 4.27Å; Q25-W31 HydrophobicContact CB-CZ2 4.34Å; Q25-W31 HydrophobicContact CB-CZ3 4.21Å; Q25-W31 HydrophobicContact CG-CD2 4.38Å; Q25-W31 HydrophobicContact CG-CZ2 4.39Å; Q25-R32 PolarHBondContact O-NH1 3.09Å |
| 26 | R | 92.3 | Very high | 91.5 | Very high | 91 Ų | 91 | 89.5 Ų | 89.5 | 34% | 0.343 | 47% | 0.474 | S | S | . | . | trans | -88.8 | 166.3 | 171.3 | -62.3 | -165.5 | -168.8 | 69.6 | 0.2 | 110.8 | D28 G29 T30 W31 R32 | R26-D28 VanDerWaalsContact C-N 3.27Å; R26-D28 WeakPolarHBondContact CB-OD1 3.44Å; R26-D28 PolarHBondContact O-N 2.99Å; R26-G29 PolarHBondContact O-N 2.9Å; R26-G29 VanDerWaalsContact O-N 3.07Å; R26-T30 VanDerWaalsContact CB-O 3.31Å; R26-T30 WeakPolarHBondContact CB-O 3.47Å; R26-T30 VanDerWaalsContact CD-OG1 3.25Å; R26-T30 WeakPolarHBondContact CD-OG1 3.39Å; R26-T30 WeakPolarHBondContact CG-O 3.49Å; R26-T30 PolarHBondContact N-O 3.4Å; R26-T30 PolarHBondContact NH1-OG1 3.2Å; R26-W31 PolarHBondContact NH1-O 3.09Å; R26-R32 HydrophobicContact CG-CG 3.94Å | ||
| 27 | A | 92.8 | Very high | 91.5 | Very high | 119 Ų | 119 | 85.3 Ų | 85.3 | 98% | 0.983 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -29.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G29 | A27-G29 PolarHBondContact O-N 3.11Š|
| 28 | D | 93.1 | Very high | 91.8 | Very high | 117 Ų | 117 | 91.1 Ų | 91.1 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 3.8 | 173.7 | 65.4 | 7.7 | 0 | 0 | 0 | 113.4 | R26 T30 | R26-D28 VanDerWaalsContact C-N 3.27Å; R26-D28 WeakPolarHBondContact CB-OD1 3.44Å; R26-D28 PolarHBondContact O-N 2.99Å; D28-T30 VanDerWaalsContact C-N 3.29Å; D28-T30 PolarHBondContact O-N 3.16Å; D28-T30 WeakPolarHBondContact OD1-CB 3.43Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.36Å; D28-T30 PolarHBondContact OD1-N 3.22Å; D28-T30 PolarHBondContact OD1-OG1 3.37Å |
| 29 | G | 92 | Very high | 91.7 | Very high | 33 Ų | 33 | 92.1 Ų | 92.1 | 34% | 0.34 | 47% | 0.467 | S | S | . | . | S | Bend | trans | 85.2 | -11.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q25 R26 A27 | Q25-G29 PolarHBondContact NE2-O 2.9Å; R26-G29 PolarHBondContact O-N 2.9Å; R26-G29 VanDerWaalsContact O-N 3.07Å; A27-G29 PolarHBondContact O-N 3.11Å |
| 30 | T | 95 | Very high | 91.4 | Very high | 64 Ų | 64 | 94.8 Ų | 94.8 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 150.9 | 178.8 | 68 | 0 | 0 | 0 | 0 | 111.4 | R26 D28 | R26-T30 VanDerWaalsContact CB-O 3.31Å; R26-T30 WeakPolarHBondContact CB-O 3.47Å; R26-T30 VanDerWaalsContact CD-OG1 3.25Å; R26-T30 WeakPolarHBondContact CD-OG1 3.39Å; R26-T30 WeakPolarHBondContact CG-O 3.49Å; R26-T30 PolarHBondContact N-O 3.4Å; R26-T30 PolarHBondContact NH1-OG1 3.2Å; D28-T30 VanDerWaalsContact C-N 3.29Å; D28-T30 PolarHBondContact O-N 3.16Å; D28-T30 WeakPolarHBondContact OD1-CB 3.43Å; D28-T30 WeakPolarHBondContact OD1-CG2 3.36Å; D28-T30 PolarHBondContact OD1-N 3.22Å; D28-T30 PolarHBondContact OD1-OG1 3.37Å |
| 31 | W | 93.7 | Very high | 91.1 | Very high | 164 Ų | 164 | 97.4 Ų | 97.4 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 137.2 | -179.4 | -72.9 | 84.9 | 0 | 0 | 0 | 112.7 | A23 Q25 R26 | A23-W31 HydrophobicContact CB-CE3 4.27Å; Q25-W31 HydrophobicContact CB-CD2 4.29Å; Q25-W31 HydrophobicContact CB-CE3 4.21Å; Q25-W31 HydrophobicContact CB-CH2 4.27Å; Q25-W31 HydrophobicContact CB-CZ2 4.34Å; Q25-W31 HydrophobicContact CB-CZ3 4.21Å; Q25-W31 HydrophobicContact CG-CD2 4.38Å; Q25-W31 HydrophobicContact CG-CZ2 4.39Å; R26-W31 PolarHBondContact NH1-O 3.09Å |
| 32 | R | 92.3 | Very high | 90.8 | Very high | 112 Ų | 112 | 99.3 Ų | 99.3 | 42% | 0.423 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.2 | 160.5 | -59.5 | -176.4 | 176.4 | 91.2 | -2.5 | 107.3 | A23 S24 Q25 R26 | A23-R32 CarbonylContact C-O 3.54Å; A23-R32 WeakPolarHBondContact CA-O 3.33Å; A23-R32 VanDerWaalsContact CB-O 3.25Å; A23-R32 WeakPolarHBondContact CB-O 3.18Å; S24-R32 PolarHBondContact N-O 3.29Å; S24-R32 WeakPolarHBondContact O-CA 3.49Å; S24-R32 WeakPolarHBondContact O-CB 3.35Å; S24-R32 WeakPolarHBondContact O-CG 3.47Å; S24-R32 PolarHBondContact O-N 3.34Å; Q25-R32 PolarHBondContact O-NH1 3.09Å; R26-R32 HydrophobicContact CG-CG 3.94Å |
| 33 | K | 95 | Very high | 90.6 | Very high | 171 Ų | 171 | 98.9 Ų | 98.9 | 74% | 0.743 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 152.5 | 175.5 | 65.3 | -179.6 | -177.8 | -179.5 | 0 | 111.7 | ||
| 34 | A | 92.2 | Very high | 90.4 | Very high | 47 Ų | 47 | 103.6 Ų | 103.6 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 142.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y20 I21 A23 | Y20-A34 HydrophobicContact CD2-CB 4.03Å; Y20-A34 HydrophobicContact CE2-CB 4.49Å; I21-A34 CarbonylContact O-C 3.58Å; I21-A34 VanDerWaalsContact O-CA 3.26Å; I21-A34 WeakPolarHBondContact O-CA 3Å; I21-A34 WeakPolarHBondContact O-CB 3.31Å; A23-A34 HydrophobicContact CB-CB 4.47Å |
| 35 | R | 91.7 | Very high | 90 | Very high | 160 Ų | 160 | 109.4 Ų | 109.4 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121 | -177.6 | -65.9 | 178.9 | 175.2 | -95.3 | 2.8 | 109.7 | Y20 I21 | Y20-R35 CarbonylContact C-O 3.42Å; Y20-R35 WeakPolarHBondContact CA-O 3.27Å; Y20-R35 VanDerWaalsContact CB-O 3.29Å; Y20-R35 WeakPolarHBondContact CB-O 3.36Å; I21-R35 HydrophobicContact CB-CB 4.35Å; I21-R35 PolarHBondContact N-O 3.26Å; I21-R35 PolarHBondContact O-N 3.44Å |
| 36 | R | 91.2 | Very high | 89.7 | Confident | 180 Ų | 180 | 110.7 Ų | 110.7 | 68% | 0.679 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 134.4 | 172.9 | -60.7 | 178.8 | 71.8 | 170.7 | -4 | 109 | E18 | E18-R36 VanDerWaalsContact CD-CZ 3.42Å; E18-R36 IonicContact OE1-CZ 3.85Å; E18-R36 IonicContact OE1-NH1 2.68Å; E18-R36 IonicContact OE1-NH2 3.71Å; E18-R36 PolarHBondContact OE1-NH2 3.44Å; E18-R36 IonicContact OE2-CZ 2.8Å; E18-R36 IonicContact OE2-NE 3.76Å; E18-R36 PolarHBondContact OE2-NE 3.01Å; E18-R36 IonicContact OE2-NH1 2.73Å; E18-R36 IonicContact OE2-NH2 3.06Å; E18-R36 PolarHBondContact OE2-NH2 2.98Å |
| 37 | V | 89.3 | Confident | 89.4 | Confident | 27 Ų | 27 | 111.4 Ų | 111.4 | 16% | 0.164 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.5 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | T19 I21 D39 | T19-V37 WeakPolarHBondContact CB-O 3.47Å; T19-V37 HydrophobicContact CG2-CB 4.49Å; T19-V37 PolarHBondContact O-N 3.39Å; I21-V37 HydrophobicContact CD1-CG2 3.75Å; I21-V37 HydrophobicContact CG1-CG2 3.72Å; V37-D39 PolarHBondContact O-N 3.23Å |
| 38 | K | 88.8 | Confident | 89 | Confident | 173 Ų | 173 | 111.7 Ų | 111.7 | 75% | 0.752 | 55% | 0.548 | S | S | * | . | trans | -64.2 | 133.7 | 178.7 | -172.7 | 169.6 | -179.8 | 177.5 | 0 | 109.7 | G40 Y41 | K38-G40 PolarHBondContact O-N 2.91Å; K38-Y41 WeakPolarHBondContact O-CB 3.26Å; K38-Y41 PolarHBondContact O-N 3.08Å | ||
| 39 | D | 86.9 | Confident | 88.8 | Confident | 96 Ų | 96 | 115.4 Ų | 115.4 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.9 | 137 | 179.1 | -167.8 | 37.9 | 0 | 0 | 0 | 110.2 | K13 T19 V37 Y41 | K13-D39 IonicContact NZ-OD1 2.66Å; K13-D39 PolarHBondContact NZ-OD1 3.48Å; K13-D39 IonicContact NZ-OD2 2.88Å; T19-D39 PolarHBondContact OG1-OD1 3.07Å; V37-D39 PolarHBondContact O-N 3.23Å; D39-Y41 VanDerWaalsContact C-N 3.29Å; D39-Y41 PolarHBondContact O-N 3.1Å |
| 40 | G | 83.8 | Confident | 88.7 | Confident | 62 Ų | 62 | 123.3 Ų | 123.3 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.6 | 3.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | K38 I42 | K38-G40 PolarHBondContact O-N 2.91Å; G40-I42 PolarHBondContact O-N 3.36Å |
| 41 | Y | 85.8 | Confident | 88.4 | Confident | 125 Ų | 125 | 124.3 Ų | 124.3 | 49% | 0.49 | 58% | 0.58 | S | S | . | * | trans | -69.2 | 115.7 | 176.6 | 178.3 | -100.6 | 0 | 0 | 0 | 111.5 | R11 K38 D39 | R11-Y41 PolarHBondContact NH1-O 2.97Å; R11-Y41 PolarHBondContact NH2-O 3.23Å; K38-Y41 WeakPolarHBondContact O-CB 3.26Å; K38-Y41 PolarHBondContact O-N 3.08Å; D39-Y41 VanDerWaalsContact C-N 3.29Å; D39-Y41 PolarHBondContact O-N 3.1Å | ||
| 42 | I | 83.3 | Confident | 88.4 | Confident | 84 Ų | 84 | 118.8 Ų | 118.8 | 43% | 0.431 | 57% | 0.566 | S | S | . | * | trans | -106.2 | 126 | 174.9 | -63.1 | 173.1 | 0 | 0 | 0 | 108 | G40 E46 Q47 | G40-I42 PolarHBondContact O-N 3.36Å; I42-E46 HydrophobicContact CG2-CB 3.33Å; I42-Q47 HydrophobicContact CB-CG 4.5Å; I42-Q47 HydrophobicContact CG2-CG 4.35Å | ||
| 43 | P | 87.6 | Confident | 88.4 | Confident | 36 Ų | 36 | 122 Ų | 122 | 23% | 0.234 | 58% | 0.579 | C | S | . | * | trans | -53.9 | 150.8 | 174.9 | -24.5 | 34.4 | 0 | 0 | 0 | 112.3 | E45 E46 Q47 | P43-E45 PolarHBondContact O-N 3.4Å; P43-E46 CarbonylContact O-C 3.55Å; P43-E46 WeakPolarHBondContact O-CA 3.27Å; P43-E46 PolarHBondContact O-N 3.5Å; P43-Q47 PolarHBondContact O-N 3.14Å | ||
| 44 | Q | 86.8 | Confident | 88.3 | Confident | 148 Ų | 148 | 116.2 Ų | 116.2 | 69% | 0.692 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -56.6 | -35.2 | -176.7 | -80.2 | 159.5 | 18.2 | 0 | 0 | 113.7 | E46 Q47 | Q44-E46 PolarHBondContact O-N 3.5Å; Q44-Q47 PolarHBondContact O-N 3.49Å |
| 45 | E | 84.7 | Confident | 88.2 | Confident | 182 Ų | 182 | 118.9 Ų | 118.9 | 85% | 0.85 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -60.9 | -28.2 | 176.1 | -57.4 | -53.7 | 138.1 | 0 | 0 | 112.8 | P43 | P43-E45 PolarHBondContact O-N 3.4Š|
| 46 | E | 86.3 | Confident | 88 | Confident | 134 Ų | 134 | 115.5 Ų | 115.5 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -98.8 | -7.7 | 177.8 | -68 | 175.9 | -159.7 | 0 | 0 | 112.2 | I42 P43 Q44 | I42-E46 HydrophobicContact CG2-CB 3.33Å; P43-E46 CarbonylContact O-C 3.55Å; P43-E46 WeakPolarHBondContact O-CA 3.27Å; P43-E46 PolarHBondContact O-N 3.5Å; Q44-E46 PolarHBondContact O-N 3.5Å |
| 47 | Q | 86.1 | Confident | 87.8 | Confident | 105 Ų | 105 | 111.9 Ų | 111.9 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -73 | 133.5 | 176 | -73.9 | -169.5 | -40.5 | 0 | 0 | 110 | I42 P43 Q44 K49 | I42-Q47 HydrophobicContact CB-CG 4.5Å; I42-Q47 HydrophobicContact CG2-CG 4.35Å; P43-Q47 PolarHBondContact O-N 3.14Å; Q44-Q47 PolarHBondContact O-N 3.49Å; Q47-K49 PolarHBondContact O-N 2.87Å; Q47-K49 VanDerWaalsContact O-N 3.16Å |
| 48 | P | 84.6 | Confident | 87.6 | Confident | 125 Ų | 125 | 113.8 Ų | 113.8 | 81% | 0.812 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 125.2 | 179 | 24.8 | -33.1 | 0 | 0 | 0 | 109.6 | Y50 | P48-Y50 PolarHBondContact O-N 3.04Š|
| 49 | K | 87.5 | Confident | 87.3 | Confident | 195 Ų | 195 | 110.7 Ų | 110.7 | 85% | 0.848 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 128.2 | 178.3 | -170.2 | 165 | -176.9 | 172.1 | 0 | 109.2 | Q47 E51 | Q47-K49 PolarHBondContact O-N 2.87Å; Q47-K49 VanDerWaalsContact O-N 3.16Å; K49-E51 PolarHBondContact O-N 2.88Å |
| 50 | Y | 90.9 | Very high | 87 | Confident | 200 Ų | 200 | 113.2 Ų | 113.2 | 78% | 0.784 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 118.5 | 179.5 | 179.3 | -97.7 | 0 | 0 | 0 | 110.3 | P48 | P48-Y50 PolarHBondContact O-N 3.04Š|
| 51 | E | 88.8 | Confident | 86.7 | Confident | 85 Ų | 85 | 115.7 Ų | 115.7 | 40% | 0.397 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -101.7 | 138.4 | 167.6 | -64.7 | -173.8 | 165.1 | 0 | 0 | 109 | K49 Q55 Q56 | K49-E51 PolarHBondContact O-N 2.88Å; E51-Q55 HydrophobicContact CB-CB 4.45Å; E51-Q56 HydrophobicContact CB-CG 4.06Å |
| 52 | S | 93.7 | Very high | 86.5 | Confident | 48 Ų | 48 | 115.6 Ų | 115.6 | 34% | 0.336 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 152 | 175.9 | 73.7 | 0 | 0 | 0 | 0 | 110.3 | G54 Q55 Q56 | S52-G54 PolarHBondContact O-N 3.35Å; S52-G54 VanDerWaalsContact O-N 3.11Å; S52-Q55 PolarHBondContact O-N 3.33Å; S52-Q55 WeakPolarHBondContact OG-CG 3.29Å; S52-Q55 PolarHBondContact OG-N 2.93Å; S52-Q56 PolarHBondContact O-N 2.73Å |
| 53 | R | 92.5 | Very high | 86.3 | Confident | 179 Ų | 179 | 116.3 Ų | 116.3 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -54.6 | -34.8 | 175.7 | -176.8 | 58.3 | 175 | -125 | -0.4 | 111.6 | Q56 M57 | R53-Q56 PolarHBondContact O-N 3.36Å; R53-M57 WeakPolarHBondContact O-CG 3.48Å; R53-M57 PolarHBondContact O-N 2.98Å |
| 54 | G | 92.3 | Very high | 86.1 | Confident | 50 Ų | 50 | 118.3 Ų | 118.3 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.7 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S52 M57 S58 | S52-G54 PolarHBondContact O-N 3.35Å; S52-G54 VanDerWaalsContact O-N 3.11Å; G54-M57 PolarHBondContact O-N 2.94Å; G54-S58 PolarHBondContact O-N 3.34Å; G54-S58 PolarHBondContact O-OG 3.18Å |
| 55 | Q | 89.5 | Confident | 85.8 | Confident | 103 Ų | 103 | 118.4 Ų | 118.4 | 48% | 0.481 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.2 | -42.1 | 174 | -78.1 | 175.9 | 0 | 0 | 0 | 111.6 | E51 S52 M57 S58 N59 | E51-Q55 HydrophobicContact CB-CB 4.45Å; S52-Q55 PolarHBondContact O-N 3.33Å; S52-Q55 WeakPolarHBondContact OG-CG 3.29Å; S52-Q55 PolarHBondContact OG-N 2.93Å; Q55-M57 VanDerWaalsContact C-N 3.28Å; Q55-M57 PolarHBondContact O-N 3.5Å; Q55-S58 WeakPolarHBondContact CA-OG 3.34Å; Q55-S58 PolarHBondContact O-N 3.02Å; Q55-S58 PolarHBondContact O-OG 3.43Å; Q55-N59 WeakPolarHBondContact O-CB 3.39Å; Q55-N59 PolarHBondContact O-N 3.39Å; Q55-N59 PolarHBondContact O-ND2 3.31Å; Q55-N59 PolarHBondContact O-OD1 3Å |
| 56 | Q | 88.3 | Confident | 85.7 | Confident | 89 Ų | 89 | 113.1 Ų | 113.1 | 42% | 0.416 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59 | -42.9 | 173.5 | -68.5 | 179.3 | -15.1 | 0 | 0 | 111 | E51 S52 R53 N59 Q60 | E51-Q56 HydrophobicContact CB-CG 4.06Å; S52-Q56 PolarHBondContact O-N 2.73Å; R53-Q56 PolarHBondContact O-N 3.36Å; Q56-N59 PolarHBondContact O-N 2.97Å; Q56-Q60 WeakPolarHBondContact O-CG 3.45Å; Q56-Q60 PolarHBondContact O-N 2.95Å |
| 57 | M | 87 | Confident | 85.4 | Confident | 104 Ų | 104 | 114.6 Ų | 114.6 | 51% | 0.512 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.7 | -45.1 | 175.5 | -68.2 | -69.6 | -65.1 | 0 | 0 | 111.7 | R53 G54 Q55 N59 Q60 N61 | R53-M57 WeakPolarHBondContact O-CG 3.48Å; R53-M57 PolarHBondContact O-N 2.98Å; G54-M57 PolarHBondContact O-N 2.94Å; Q55-M57 VanDerWaalsContact C-N 3.28Å; Q55-M57 PolarHBondContact O-N 3.5Å; M57-N59 VanDerWaalsContact C-N 3.28Å; M57-N59 PolarHBondContact O-N 3.3Å; M57-Q60 WeakPolarHBondContact O-CB 3.38Å; M57-Q60 PolarHBondContact O-N 3.38Å; M57-N61 PolarHBondContact O-N 3.48Å; M57-N61 PolarHBondContact O-OD1 3.19Å |
| 58 | S | 84.5 | Confident | 85 | Confident | 67 Ų | 67 | 111.9 Ų | 111.9 | 47% | 0.469 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.3 | -35.3 | 178.4 | 64.4 | 0 | 0 | 0 | 0 | 112.6 | G54 Q55 Q60 N61 | G54-S58 PolarHBondContact O-N 3.34Å; G54-S58 PolarHBondContact O-OG 3.18Å; Q55-S58 WeakPolarHBondContact CA-OG 3.34Å; Q55-S58 PolarHBondContact O-N 3.02Å; Q55-S58 PolarHBondContact O-OG 3.43Å; S58-Q60 PolarHBondContact O-N 3.04Å; S58-N61 WeakPolarHBondContact O-CB 3.4Å; S58-N61 PolarHBondContact O-N 3.17Å |
| 59 | N | 83 | Confident | 84.6 | Confident | 107 Ų | 107 | 109.3 Ų | 109.3 | 57% | 0.572 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.8 | -21.3 | 174.6 | -69.4 | -10.7 | 0 | 0 | 0 | 112.2 | Q55 Q56 M57 | Q55-N59 WeakPolarHBondContact O-CB 3.39Å; Q55-N59 PolarHBondContact O-N 3.39Å; Q55-N59 PolarHBondContact O-ND2 3.31Å; Q55-N59 PolarHBondContact O-OD1 3Å; Q56-N59 PolarHBondContact O-N 2.97Å; M57-N59 VanDerWaalsContact C-N 3.28Å; M57-N59 PolarHBondContact O-N 3.3Å |
| 60 | Q | 80.4 | Confident | 84.2 | Confident | 149 Ų | 149 | 103.7 Ų | 103.7 | 70% | 0.696 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -82.7 | -20.2 | 172.9 | -60.3 | -61.6 | -41.6 | 0 | 0 | 113.2 | Q56 M57 S58 T62 | Q56-Q60 WeakPolarHBondContact O-CG 3.45Å; Q56-Q60 PolarHBondContact O-N 2.95Å; M57-Q60 WeakPolarHBondContact O-CB 3.38Å; M57-Q60 PolarHBondContact O-N 3.38Å; S58-Q60 PolarHBondContact O-N 3.04Å; Q60-T62 PolarHBondContact O-N 2.88Å |
| 61 | N | 77.7 | Confident | 83.4 | Confident | 115 Ų | 115 | 99.8 Ų | 99.8 | 62% | 0.615 | 54% | 0.544 | S | S | * | . | trans | -70.6 | 102 | 179.6 | -74.4 | 55.7 | 0 | 0 | 0 | 109.8 | M57 S58 Y63 | M57-N61 PolarHBondContact O-N 3.48Å; M57-N61 PolarHBondContact O-OD1 3.19Å; S58-N61 WeakPolarHBondContact O-CB 3.4Å; S58-N61 PolarHBondContact O-N 3.17Å; N61-Y63 PolarHBondContact O-N 2.97Å | ||
| 62 | T | 80.4 | Confident | 82.5 | Confident | 122 Ų | 122 | 97 Ų | 97 | 75% | 0.748 | 53% | 0.533 | S | S | * | . | trans | -64.5 | -21.4 | -177.4 | -40.6 | 0 | 0 | 0 | 0 | 113.7 | Q60 | Q60-T62 PolarHBondContact O-N 2.88Š| ||
| 63 | Y | 80.9 | Confident | 81.6 | Confident | 99 Ų | 99 | 98.2 Ų | 98.2 | 39% | 0.388 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -118.3 | 143.3 | -172.8 | -60.1 | -76.7 | 0 | 0 | 0 | 111.2 | N61 W67 P69 | N61-Y63 PolarHBondContact O-N 2.97Å; Y63-W67 HydrophobicContact CD1-CE3 4.4Å; Y63-P69 HydrophobicContact CD2-CG 4.23Å; Y63-P69 HydrophobicContact CE2-CG 4.4Å |
| 64 | P | 81.7 | Confident | 80.8 | Confident | 78 Ų | 78 | 96 Ų | 96 | 51% | 0.506 | 53% | 0.533 | S | S | . | . | trans | -66.6 | 163.4 | 179.9 | 29.1 | -35.4 | 0 | 0 | 0 | 111.9 | G66 W67 | P64-G66 PolarHBondContact O-N 3.42Å; P64-W67 HydrophobicContact CG-CB 4.26Å; P64-W67 HydrophobicContact CG-CD2 4.2Å; P64-W67 HydrophobicContact CG-CG 3.85Å; P64-W67 PolarHBondContact O-N 2.68Å; P64-W67 VanDerWaalsContact O-N 3.08Å | ||
| 65 | V | 82 | Confident | 79.8 | Confident | 151 Ų | 151 | 98.8 Ų | 98.8 | 92% | 0.915 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 131.4 | 174.9 | 61.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 66 | G | 81.8 | Confident | 78.9 | Confident | 71 Ų | 71 | 100.5 Ų | 100.5 | 73% | 0.732 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | -6.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P64 | P64-G66 PolarHBondContact O-N 3.42Š|
| 67 | W | 80.8 | Confident | 78 | Confident | 164 Ų | 164 | 103.1 Ų | 103.1 | 62% | 0.621 | 55% | 0.552 | S | S | * | * | trans | -98.2 | 112.4 | 174 | -78.4 | 46.5 | 0 | 0 | 0 | 110.7 | Y63 P64 V72 | Y63-W67 HydrophobicContact CD1-CE3 4.4Å; P64-W67 HydrophobicContact CG-CB 4.26Å; P64-W67 HydrophobicContact CG-CD2 4.2Å; P64-W67 HydrophobicContact CG-CG 3.85Å; P64-W67 PolarHBondContact O-N 2.68Å; P64-W67 VanDerWaalsContact O-N 3.08Å; W67-V72 HydrophobicContact CE3-CG1 4.32Å | ||
| 68 | S | 76.4 | Confident | 76.9 | Confident | 49 Ų | 49 | 104.9 Ų | 104.9 | 34% | 0.343 | 56% | 0.556 | S | S | . | * | trans | -91.5 | 130.6 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | T70 E71 | S68-T70 PolarHBondContact O-N 3.26Å; S68-T70 PolarHBondContact OG-N 2.99Å; S68-E71 PolarHBondContact O-N 3.36Å | ||
| 69 | P | 76.1 | Confident | 75.8 | Confident | 71 Ų | 71 | 104.5 Ų | 104.5 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -53 | -27.7 | 173 | -27.8 | 35.5 | 0 | 0 | 0 | 113.4 | Y63 E71 V72 V73 | Y63-P69 HydrophobicContact CD2-CG 4.23Å; Y63-P69 HydrophobicContact CE2-CG 4.4Å; P69-E71 VanDerWaalsContact C-N 3.34Å; P69-E71 PolarHBondContact O-N 3.12Å; P69-V72 WeakPolarHBondContact O-CG2 3.44Å; P69-V73 VanDerWaalsContact O-CG2 3.29Å; P69-V73 WeakPolarHBondContact O-CG2 3.35Å; P69-V73 PolarHBondContact O-N 2.82Å; P69-V73 VanDerWaalsContact O-N 3.08Å |
| 70 | T | 78.9 | Confident | 74.6 | Confident | 76 Ų | 76 | 106.3 Ų | 106.3 | 47% | 0.466 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.2 | -35.7 | 179.6 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | S68 K74 | S68-T70 PolarHBondContact O-N 3.26Å; S68-T70 PolarHBondContact OG-N 2.99Å; T70-K74 HydrophobicContact CG2-CD 4.09Å; T70-K74 HydrophobicContact CG2-CG 4.46Å; T70-K74 WeakPolarHBondContact O-CB 3.49Å; T70-K74 VanDerWaalsContact O-CG 3.26Å; T70-K74 WeakPolarHBondContact O-CG 3.31Å; T70-K74 PolarHBondContact O-N 3.42Å |
| 71 | E | 73.9 | Confident | 73.6 | Confident | 118 Ų | 118 | 105.2 Ų | 105.2 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.7 | -44.5 | 179.9 | -65.7 | -174.1 | 164.9 | 0 | 0 | 111 | S68 P69 V73 K74 L75 | S68-E71 PolarHBondContact O-N 3.36Å; P69-E71 VanDerWaalsContact C-N 3.34Å; P69-E71 PolarHBondContact O-N 3.12Å; E71-V73 VanDerWaalsContact C-N 3.29Å; E71-V73 PolarHBondContact O-N 2.96Å; E71-K74 PolarHBondContact O-N 3.37Å; E71-L75 VanDerWaalsContact O-CB 3.27Å; E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 WeakPolarHBondContact O-CD1 3.32Å; E71-L75 VanDerWaalsContact O-CG 3.3Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 3.39Å |
| 72 | V | 70.6 | Confident | 72.6 | Confident | 28 Ų | 28 | 105.3 Ų | 105.3 | 17% | 0.17 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 176.4 | -61 | 0 | 0 | 0 | 0 | 111.6 | W67 P69 K76 | W67-V72 HydrophobicContact CE3-CG1 4.32Å; P69-V72 WeakPolarHBondContact O-CG2 3.44Å; V72-K76 WeakPolarHBondContact O-CB 3.47Å; V72-K76 WeakPolarHBondContact O-CG 3.32Å; V72-K76 PolarHBondContact O-N 2.93Å |
| 73 | V | 75 | Confident | 71.6 | Confident | 72 Ų | 72 | 104.9 Ų | 104.9 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.3 | -40.1 | 175.1 | 174 | 0 | 0 | 0 | 0 | 111.4 | P69 E71 K76 K77 | P69-V73 VanDerWaalsContact O-CG2 3.29Å; P69-V73 WeakPolarHBondContact O-CG2 3.35Å; P69-V73 PolarHBondContact O-N 2.82Å; P69-V73 VanDerWaalsContact O-N 3.08Å; E71-V73 VanDerWaalsContact C-N 3.29Å; E71-V73 PolarHBondContact O-N 2.96Å; V73-K76 PolarHBondContact O-N 3.32Å; V73-K77 HydrophobicContact CG1-CD 4.11Å; V73-K77 HydrophobicContact CG1-CG 4.29Å; V73-K77 VanDerWaalsContact O-CB 3.29Å; V73-K77 WeakPolarHBondContact O-CB 3.45Å; V73-K77 WeakPolarHBondContact O-CG 3.32Å; V73-K77 PolarHBondContact O-N 3.16Å |
| 74 | K | 76.2 | Confident | 70.5 | Confident | 132 Ų | 132 | 107.2 Ų | 107.2 | 57% | 0.574 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.1 | -43.5 | 175.3 | -76.9 | 173.7 | 179.7 | 173.6 | 0 | 111.3 | T70 E71 K77 K78 | T70-K74 HydrophobicContact CG2-CD 4.09Å; T70-K74 HydrophobicContact CG2-CG 4.46Å; T70-K74 WeakPolarHBondContact O-CB 3.49Å; T70-K74 VanDerWaalsContact O-CG 3.26Å; T70-K74 WeakPolarHBondContact O-CG 3.31Å; T70-K74 PolarHBondContact O-N 3.42Å; E71-K74 PolarHBondContact O-N 3.37Å; K74-K77 PolarHBondContact O-N 3.08Å; K74-K78 WeakPolarHBondContact O-CB 3.39Å; K74-K78 VanDerWaalsContact O-CG 3.25Å; K74-K78 WeakPolarHBondContact O-CG 3.47Å; K74-K78 PolarHBondContact O-N 3.31Å |
| 75 | L | 70.3 | Confident | 69.3 | Low | 109 Ų | 109 | 111.3 Ų | 111.3 | 57% | 0.571 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.9 | -48.9 | 174.4 | -75.5 | 160.5 | 0 | 0 | 0 | 110.3 | E71 K77 K78 T79 | E71-L75 VanDerWaalsContact O-CB 3.27Å; E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 WeakPolarHBondContact O-CD1 3.32Å; E71-L75 VanDerWaalsContact O-CG 3.3Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 3.39Å; L75-K77 PolarHBondContact O-N 3.25Å; L75-K78 CarbonylContact O-C 3.58Å; L75-K78 PolarHBondContact O-N 2.84Å; L75-T79 PolarHBondContact O-N 3.18Å; L75-T79 PolarHBondContact O-OG1 3.03Å |
| 76 | K | 70.3 | Confident | 67.8 | Low | 139 Ų | 139 | 110.1 Ų | 110.1 | 60% | 0.604 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.9 | -36.5 | 177 | -76 | 179.5 | -178.8 | -176.2 | 0 | 113.5 | V72 V73 T79 K80 | V72-K76 WeakPolarHBondContact O-CB 3.47Å; V72-K76 WeakPolarHBondContact O-CG 3.32Å; V72-K76 PolarHBondContact O-N 2.93Å; V73-K76 PolarHBondContact O-N 3.32Å; K76-T79 VanDerWaalsContact CA-OG1 3.3Å; K76-T79 WeakPolarHBondContact CA-OG1 3.34Å; K76-T79 PolarHBondContact O-OG1 2.75Å; K76-K80 WeakPolarHBondContact O-CA 3.45Å; K76-K80 WeakPolarHBondContact O-CB 3.48Å; K76-K80 PolarHBondContact O-N 3.3Å |
| 77 | K | 70.7 | Confident | 66.5 | Low | 145 Ų | 145 | 111.4 Ų | 111.4 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.3 | -44.7 | 174.2 | -78.6 | -177 | 178.6 | -175.3 | 0 | 110.6 | V73 K74 L75 K80 E81 | V73-K77 HydrophobicContact CG1-CD 4.11Å; V73-K77 HydrophobicContact CG1-CG 4.29Å; V73-K77 VanDerWaalsContact O-CB 3.29Å; V73-K77 WeakPolarHBondContact O-CB 3.45Å; V73-K77 WeakPolarHBondContact O-CG 3.32Å; V73-K77 PolarHBondContact O-N 3.16Å; K74-K77 PolarHBondContact O-N 3.08Å; L75-K77 PolarHBondContact O-N 3.25Å; K77-K80 PolarHBondContact O-N 3.37Å; K77-E81 WeakPolarHBondContact O-CB 3.23Å; K77-E81 PolarHBondContact O-N 2.83Å |
| 78 | K | 62.9 | Low | 65.6 | Low | 140 Ų | 140 | 110.1 Ų | 110.1 | 61% | 0.609 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 174.2 | -74.4 | 178.3 | 177.9 | -174 | 0 | 111.9 | K74 L75 Q82 | K74-K78 WeakPolarHBondContact O-CB 3.39Å; K74-K78 VanDerWaalsContact O-CG 3.25Å; K74-K78 WeakPolarHBondContact O-CG 3.47Å; K74-K78 PolarHBondContact O-N 3.31Å; L75-K78 CarbonylContact O-C 3.58Å; L75-K78 PolarHBondContact O-N 2.84Å; K78-Q82 VanDerWaalsContact O-CB 3.24Å; K78-Q82 WeakPolarHBondContact O-CB 3.42Å; K78-Q82 WeakPolarHBondContact O-CG 3.48Å; K78-Q82 PolarHBondContact O-N 3.46Å |
| 79 | T | 60.7 | Low | 64.6 | Low | 59 Ų | 59 | 111.1 Ų | 111.1 | 36% | 0.362 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.1 | -37.9 | 177.2 | 45.8 | 0 | 0 | 0 | 0 | 112.2 | L75 K76 Q82 E83 | L75-T79 PolarHBondContact O-N 3.18Å; L75-T79 PolarHBondContact O-OG1 3.03Å; K76-T79 VanDerWaalsContact CA-OG1 3.3Å; K76-T79 WeakPolarHBondContact CA-OG1 3.34Å; K76-T79 PolarHBondContact O-OG1 2.75Å; T79-Q82 CarbonylContact O-C 3.6Å; T79-Q82 PolarHBondContact O-N 3.18Å; T79-Q82 VanDerWaalsContact O-N 3.17Å; T79-E83 WeakPolarHBondContact O-CA 3.5Å; T79-E83 WeakPolarHBondContact O-CB 3.44Å; T79-E83 VanDerWaalsContact O-CG 3.23Å; T79-E83 WeakPolarHBondContact O-CG 3.49Å; T79-E83 PolarHBondContact O-N 2.92Å |
| 80 | K | 59.2 | Low | 63.8 | Low | 145 Ų | 145 | 111.2 Ų | 111.2 | 63% | 0.63 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.3 | -38.1 | 176.3 | -164.8 | 173 | -173.7 | -179.9 | 0 | 111.7 | K76 K77 Q82 E83 L84 | K76-K80 WeakPolarHBondContact O-CA 3.45Å; K76-K80 WeakPolarHBondContact O-CB 3.48Å; K76-K80 PolarHBondContact O-N 3.3Å; K77-K80 PolarHBondContact O-N 3.37Å; K80-Q82 VanDerWaalsContact C-N 3.32Å; K80-E83 PolarHBondContact O-N 3.42Å; K80-L84 WeakPolarHBondContact O-CB 3.37Å; K80-L84 VanDerWaalsContact O-CG 3.27Å; K80-L84 WeakPolarHBondContact O-CG 3.41Å; K80-L84 PolarHBondContact O-N 3.38Å |
| 81 | E | 60.1 | Low | 62.9 | Low | 126 Ų | 126 | 111.9 Ų | 111.9 | 59% | 0.589 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.7 | -31 | 171.4 | -165.5 | 177.7 | 171.5 | 0 | 0 | 112.2 | K77 K85 | K77-E81 WeakPolarHBondContact O-CB 3.23Å; K77-E81 PolarHBondContact O-N 2.83Å; E81-K85 WeakPolarHBondContact O-CG 3.3Å |
| 82 | Q | 56.6 | Low | 62.6 | Low | 118 Ų | 118 | 112.5 Ų | 112.5 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -79.7 | -29.3 | 172.3 | -76.6 | 176.4 | -11.6 | 0 | 0 | 113.8 | K78 T79 K80 K85 K86 | K78-Q82 VanDerWaalsContact O-CB 3.24Å; K78-Q82 WeakPolarHBondContact O-CB 3.42Å; K78-Q82 WeakPolarHBondContact O-CG 3.48Å; K78-Q82 PolarHBondContact O-N 3.46Å; T79-Q82 CarbonylContact O-C 3.6Å; T79-Q82 PolarHBondContact O-N 3.18Å; T79-Q82 VanDerWaalsContact O-N 3.17Å; K80-Q82 VanDerWaalsContact C-N 3.32Å; Q82-K85 WeakPolarHBondContact O-CB 3.3Å; Q82-K85 PolarHBondContact O-N 3.06Å; Q82-K86 PolarHBondContact O-N 3.3Å |
| 83 | E | 58.4 | Low | 62.4 | Low | 113 Ų | 113 | 118.5 Ų | 118.5 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -78.5 | -33.4 | 179.2 | -80.6 | -179.6 | 178.9 | 0 | 0 | 111.1 | T79 K80 K85 K86 | T79-E83 WeakPolarHBondContact O-CA 3.5Å; T79-E83 WeakPolarHBondContact O-CB 3.44Å; T79-E83 VanDerWaalsContact O-CG 3.23Å; T79-E83 WeakPolarHBondContact O-CG 3.49Å; T79-E83 PolarHBondContact O-N 2.92Å; K80-E83 PolarHBondContact O-N 3.42Å; E83-K85 PolarHBondContact O-N 3.48Å; E83-K85 VanDerWaalsContact O-N 3.16Å; E83-K86 HydrophobicContact CG-CD 4.32Å; E83-K86 PolarHBondContact O-N 2.86Å |
| 84 | L | 58 | Low | 62.1 | Low | 147 Ų | 147 | 120.1 Ų | 120.1 | 77% | 0.77 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -20.5 | 165.9 | -72.9 | 166.6 | 0 | 0 | 0 | 112.4 | K80 | K80-L84 WeakPolarHBondContact O-CB 3.37Å; K80-L84 VanDerWaalsContact O-CG 3.27Å; K80-L84 WeakPolarHBondContact O-CG 3.41Å; K80-L84 PolarHBondContact O-N 3.38Å |
| 85 | K | 56.1 | Low | 62 | Low | 165 Ų | 165 | 121.1 Ų | 121.1 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -3.1 | 174 | -63.7 | -178.7 | -177.6 | -179 | 0 | 113.7 | E81 Q82 E83 | E81-K85 WeakPolarHBondContact O-CG 3.3Å; Q82-K85 WeakPolarHBondContact O-CB 3.3Å; Q82-K85 PolarHBondContact O-N 3.06Å; E83-K85 PolarHBondContact O-N 3.48Å; E83-K85 VanDerWaalsContact O-N 3.16Å |
| 86 | K | 50.9 | Low | 62.2 | Low | 125 Ų | 125 | 118.5 Ų | 118.5 | 54% | 0.543 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -91.3 | 135 | 172.6 | -66.4 | 176.6 | -170.1 | 173.3 | 0 | 108.5 | Q82 E83 I88 | Q82-K86 PolarHBondContact O-N 3.3Å; E83-K86 HydrophobicContact CG-CD 4.32Å; E83-K86 PolarHBondContact O-N 2.86Å; K86-I88 PolarHBondContact O-N 3.01Å |
| 87 | P | 54.5 | Low | 62.6 | Low | 99 Ų | 99 | 117.3 Ų | 117.3 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | trans | -62.3 | 131.7 | 177.2 | 25.4 | -32 | 0 | 0 | 0 | 109.7 | A89 A90 | P87-A89 PolarHBondContact O-N 3.21Å; P87-A90 PolarHBondContact O-N 3.38Å | ||
| 88 | I | 60.8 | Low | 63.1 | Low | 137 Ų | 137 | 115 Ų | 115 | 70% | 0.703 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.1 | -28.3 | 176.4 | -67.4 | 162.3 | 0 | 0 | 0 | 112 | K86 A90 A91 L92 | K86-I88 PolarHBondContact O-N 3.01Å; I88-A90 VanDerWaalsContact C-N 3.26Å; I88-A90 PolarHBondContact O-N 3.18Å; I88-A91 PolarHBondContact O-N 3.48Å; I88-A91 VanDerWaalsContact O-N 3.15Å; I88-L92 HydrophobicContact CG2-CD1 4.05Å; I88-L92 HydrophobicContact CG2-CG 4.38Å |
| 89 | A | 57.5 | Low | 64.2 | Low | 70 Ų | 70 | 111.1 Ų | 111.1 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -51.5 | -38.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P87 A91 L92 | P87-A89 PolarHBondContact O-N 3.21Å; A89-A91 VanDerWaalsContact C-N 3.34Å; A89-A91 PolarHBondContact O-N 3.37Å; A89-L92 PolarHBondContact O-N 2.98Å |
| 90 | A | 58.6 | Low | 65.7 | Low | 72 Ų | 72 | 112.8 Ų | 112.8 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.9 | -28.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P87 I88 | P87-A90 PolarHBondContact O-N 3.38Å; I88-A90 VanDerWaalsContact C-N 3.26Å; I88-A90 PolarHBondContact O-N 3.18Å |
| 91 | A | 60.6 | Low | 67.2 | Low | 90 Ų | 90 | 111.3 Ų | 111.3 | 74% | 0.744 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.5 | -25.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I88 A89 | I88-A91 PolarHBondContact O-N 3.48Å; I88-A91 VanDerWaalsContact O-N 3.15Å; A89-A91 VanDerWaalsContact C-N 3.34Å; A89-A91 PolarHBondContact O-N 3.37Å |
| 92 | L | 65.8 | Low | 68.7 | Low | 131 Ų | 131 | 109 Ų | 109 | 69% | 0.686 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -82.4 | -26.4 | -176.4 | -65.6 | 176.1 | 0 | 0 | 0 | 113.2 | I88 A89 | I88-L92 HydrophobicContact CG2-CD1 4.05Å; I88-L92 HydrophobicContact CG2-CG 4.38Å; A89-L92 PolarHBondContact O-N 2.98Å |
| 93 | K | 66.4 | Low | 70.3 | Confident | 154 Ų | 154 | 106.7 Ų | 106.7 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | trans | -141.8 | 79.5 | -175.8 | -61.7 | -175.7 | -178.7 | 179.3 | 0 | 111.5 | N95 A96 | K93-N95 PolarHBondContact O-N 2.89Å; K93-A96 HydrophobicContact CB-CB 4.04Å | ||
| 94 | P | 68.8 | Low | 72.1 | Confident | 107 Ų | 107 | 102.1 Ų | 102.1 | 70% | 0.695 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -25.8 | -179.4 | 25.8 | -34.3 | 0 | 0 | 0 | 113.4 | ||
| 95 | N | 74.4 | Confident | 73.8 | Confident | 153 Ų | 153 | 99.6 Ų | 99.6 | 82% | 0.818 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 16.2 | -173.6 | -59.4 | -21.8 | 0 | 0 | 0 | 113.4 | K93 | K93-N95 PolarHBondContact O-N 2.89Š|
| 96 | A | 74.4 | Confident | 75.6 | Confident | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 133.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | K93 I98 | K93-A96 HydrophobicContact CB-CB 4.04Å; A96-I98 PolarHBondContact O-N 3.22Å |
| 97 | P | 78.7 | Confident | 77.8 | Confident | 115 Ų | 115 | 95.2 Ų | 95.2 | 75% | 0.747 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 129.3 | 174.8 | 26.2 | -33 | 0 | 0 | 0 | 108.8 | T99 | P97-T99 PolarHBondContact O-N 3.48Å; P97-T99 VanDerWaalsContact O-N 3.17Å |
| 98 | I | 81.2 | Confident | 79.8 | Confident | 95 Ų | 95 | 91.4 Ų | 91.4 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 117.5 | 177 | -55.6 | 170.4 | 0 | 0 | 0 | 107.1 | A96 E102 C103 | A96-I98 PolarHBondContact O-N 3.22Å; I98-E102 HydrophobicContact CG2-CB 3.9Å; I98-C103 WeakPolarHBondContact CG2-SG 3.34Å |
| 99 | T | 87.5 | Confident | 81.5 | Confident | 60 Ų | 60 | 89.2 Ų | 89.2 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 152.6 | 178.8 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | P97 R101 E102 C103 | P97-T99 PolarHBondContact O-N 3.48Å; P97-T99 VanDerWaalsContact O-N 3.17Å; T99-R101 PolarHBondContact O-N 3.29Å; T99-E102 PolarHBondContact O-N 3.49Å; T99-E102 VanDerWaalsContact O-N 3.08Å; T99-E102 WeakPolarHBondContact OG1-CB 3.3Å; T99-E102 VanDerWaalsContact OG1-CG 3.24Å; T99-E102 WeakPolarHBondContact OG1-CG 3.27Å; T99-E102 PolarHBondContact OG1-N 3Å; T99-C103 PolarHBondContact O-N 3.13Å; T99-C103 VanDerWaalsContact O-N 3.07Å |
| 100 | P | 90.3 | Very high | 83.3 | Confident | 93 Ų | 93 | 90 Ų | 90 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -53.7 | -38.2 | 174.5 | -27.3 | 35.2 | 0 | 0 | 0 | 112.6 | C103 I104 L161 | P100-C103 WeakPolarHBondContact O-CB 3.25Å; P100-C103 PolarHBondContact O-N 3.45Å; P100-I104 WeakPolarHBondContact O-CG1 3.16Å; P100-I104 PolarHBondContact O-N 3Å; P100-L161 HydrophobicContact CB-CD1 4.35Å |
| 101 | R | 92.3 | Very high | 85.2 | Confident | 115 Ų | 115 | 87.4 Ų | 87.4 | 43% | 0.434 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59 | -49.9 | 174 | -69.8 | -175.2 | 177 | -145.9 | 12.9 | 112 | T99 C103 I104 E105 L161 | T99-R101 PolarHBondContact O-N 3.29Å; R101-C103 VanDerWaalsContact C-N 3.29Å; R101-C103 PolarHBondContact O-N 3.36Å; R101-I104 PolarHBondContact O-N 2.92Å; R101-I104 VanDerWaalsContact O-N 3.1Å; R101-E105 WeakPolarHBondContact O-CG 3.45Å; R101-E105 PolarHBondContact O-N 3.1Å; R101-L161 HydrophobicContact CG-CB 3.9Å; R101-L161 HydrophobicContact CG-CD1 3.93Å; R101-L161 VanDerWaalsContact CZ-C 3.47Å; R101-L161 VanDerWaalsContact CZ-O 3.29Å; R101-L161 PolarHBondContact NE-O 3.46Å; R101-L161 VanDerWaalsContact NE-O 3.16Å; R101-L161 PolarHBondContact NH2-O 3.4Å; R101-L161 PolarHBondContact NH2-OXT 3.26Å |
| 102 | E | 90.6 | Very high | 86.9 | Confident | 78 Ų | 78 | 86.1 Ų | 86.1 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.9 | -33.8 | 177.8 | -76.4 | 169.4 | -156.2 | 0 | 0 | 113.3 | I98 T99 I104 K106 | I98-E102 HydrophobicContact CG2-CB 3.9Å; T99-E102 PolarHBondContact O-N 3.49Å; T99-E102 VanDerWaalsContact O-N 3.08Å; T99-E102 WeakPolarHBondContact OG1-CB 3.3Å; T99-E102 VanDerWaalsContact OG1-CG 3.24Å; T99-E102 WeakPolarHBondContact OG1-CG 3.27Å; T99-E102 PolarHBondContact OG1-N 3Å; E102-I104 VanDerWaalsContact C-N 3.35Å; E102-K106 VanDerWaalsContact O-CG 3.3Å; E102-K106 WeakPolarHBondContact O-CG 3.24Å; E102-K106 PolarHBondContact O-N 3.41Å |
| 103 | C | 91.5 | Very high | 88.5 | Confident | 68 Ų | 68 | 84.9 Ų | 84.9 | 46% | 0.459 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 173.6 | -77 | 0 | 0 | 0 | 0 | 111.4 | I98 T99 P100 R101 K106 K107 | I98-C103 WeakPolarHBondContact CG2-SG 3.34Å; T99-C103 PolarHBondContact O-N 3.13Å; T99-C103 VanDerWaalsContact O-N 3.07Å; P100-C103 WeakPolarHBondContact O-CB 3.25Å; P100-C103 PolarHBondContact O-N 3.45Å; R101-C103 VanDerWaalsContact C-N 3.29Å; R101-C103 PolarHBondContact O-N 3.36Å; C103-K106 PolarHBondContact O-N 3Å; C103-K107 PolarHBondContact O-N 3.01Å; C103-K107 VanDerWaalsContact O-N 3.13Å |
| 104 | I | 94.6 | Very high | 89.9 | Confident | 18 Ų | 18 | 82.8 Ų | 82.8 | 9% | 0.092 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -69.6 | -41.4 | 178.7 | -57.7 | 164.6 | 0 | 0 | 0 | 110.5 | P100 R101 E102 K106 K107 I108 L154 E157 I158 L161 | P100-I104 WeakPolarHBondContact O-CG1 3.16Å; P100-I104 PolarHBondContact O-N 3Å; R101-I104 PolarHBondContact O-N 2.92Å; R101-I104 VanDerWaalsContact O-N 3.1Å; E102-I104 VanDerWaalsContact C-N 3.35Å; I104-K106 VanDerWaalsContact C-N 3.32Å; I104-K106 PolarHBondContact O-N 3.33Å; I104-K107 CarbonylContact O-C 3.44Å; I104-K107 WeakPolarHBondContact O-CA 3.5Å; I104-K107 WeakPolarHBondContact O-CB 3.45Å; I104-K107 PolarHBondContact O-N 3.38Å; I104-I108 HydrophobicContact CG2-CD1 4.16Å; I104-I108 HydrophobicContact CG2-CG1 4.45Å; I104-I108 WeakPolarHBondContact O-CG1 3.26Å; I104-I108 PolarHBondContact O-N 3.48Å; I104-L154 HydrophobicContact CG2-CB 3.79Å; I104-L154 HydrophobicContact CG2-CD2 3.93Å; I104-L154 HydrophobicContact CG2-CG 4.35Å; I104-E157 HydrophobicContact CD1-CG 3.97Å; I104-I158 HydrophobicContact CB-CD1 3.94Å; I104-I158 HydrophobicContact CB-CG1 3.7Å; I104-I158 HydrophobicContact CD1-CG1 4.24Å; I104-I158 HydrophobicContact CG2-CD1 3.67Å; I104-I158 HydrophobicContact CG2-CG1 3.46Å; I104-I158 VanDerWaalsContact CG2-CG1 3.46Å; I104-L161 HydrophobicContact CD1-CD1 3.49Å; I104-L161 VanDerWaalsContact CD1-CD1 3.49Å |
| 105 | E | 94.4 | Very high | 91.2 | Very high | 94 Ų | 94 | 79.6 Ų | 79.6 | 44% | 0.439 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 174.9 | -72.2 | 177.8 | -177.2 | 0 | 0 | 112.3 | R101 K107 I108 N109 I158 | R101-E105 WeakPolarHBondContact O-CG 3.45Å; R101-E105 PolarHBondContact O-N 3.1Å; E105-K107 VanDerWaalsContact C-N 3.3Å; E105-K107 PolarHBondContact O-N 3.24Å; E105-I108 PolarHBondContact O-N 3.47Å; E105-N109 WeakPolarHBondContact O-CB 3.36Å; E105-N109 VanDerWaalsContact O-CG 3.29Å; E105-N109 PolarHBondContact O-N 2.75Å; E105-N109 PolarHBondContact O-ND2 3.28Å; E105-I158 HydrophobicContact CB-CD1 4.5Å; E105-I158 HydrophobicContact CG-CD1 3.67Å |
| 106 | K | 94.7 | Very high | 92.3 | Very high | 102 Ų | 102 | 79.4 Ų | 79.4 | 44% | 0.443 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 173.9 | -74.3 | 170.3 | -173.7 | 168.1 | 0 | 111.4 | E102 C103 I104 N109 N110 | E102-K106 VanDerWaalsContact O-CG 3.3Å; E102-K106 WeakPolarHBondContact O-CG 3.24Å; E102-K106 PolarHBondContact O-N 3.41Å; C103-K106 PolarHBondContact O-N 3Å; I104-K106 VanDerWaalsContact C-N 3.32Å; I104-K106 PolarHBondContact O-N 3.33Å; K106-N109 PolarHBondContact O-N 3.03Å; K106-N110 VanDerWaalsContact O-CG 3.3Å; K106-N110 PolarHBondContact O-N 3.5Å; K106-N110 PolarHBondContact O-ND2 2.9Å |
| 107 | K | 96 | Very high | 93.3 | Very high | 95 Ų | 95 | 82.3 Ų | 82.3 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 175.7 | -165.3 | 178.5 | 172.6 | -156.4 | 0 | 110.9 | C103 I104 E105 N109 N110 L111 E150 L154 | C103-K107 PolarHBondContact O-N 3.01Å; C103-K107 VanDerWaalsContact O-N 3.13Å; I104-K107 CarbonylContact O-C 3.44Å; I104-K107 WeakPolarHBondContact O-CA 3.5Å; I104-K107 WeakPolarHBondContact O-CB 3.45Å; I104-K107 PolarHBondContact O-N 3.38Å; E105-K107 VanDerWaalsContact C-N 3.3Å; E105-K107 PolarHBondContact O-N 3.24Å; K107-N109 PolarHBondContact O-N 2.78Å; K107-N110 PolarHBondContact O-N 2.93Å; K107-L111 WeakPolarHBondContact O-CG 3.22Å; K107-L111 PolarHBondContact O-N 2.89Å; K107-E150 WeakPolarHBondContact CE-OE1 3.47Å; K107-E150 IonicContact NZ-OE1 3.4Å; K107-E150 PolarHBondContact NZ-OE1 2.75Å; K107-L154 HydrophobicContact CB-CD1 4.22Å; K107-L154 HydrophobicContact CD-CD1 3.61Å; K107-L154 HydrophobicContact CD-CD2 3.99Å; K107-L154 HydrophobicContact CD-CG 4.48Å; K107-L154 HydrophobicContact CG-CD1 3.75Å |
| 108 | I | 96.6 | Very high | 94.1 | Very high | 19 Ų | 19 | 77.4 Ų | 77.4 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.6 | -47.6 | 174.6 | -69 | 170.1 | 0 | 0 | 0 | 111 | I104 E105 N110 L111 N112 I151 L154 T155 I158 | I104-I108 HydrophobicContact CG2-CD1 4.16Å; I104-I108 HydrophobicContact CG2-CG1 4.45Å; I104-I108 WeakPolarHBondContact O-CG1 3.26Å; I104-I108 PolarHBondContact O-N 3.48Å; E105-I108 PolarHBondContact O-N 3.47Å; I108-N110 VanDerWaalsContact C-N 3.29Å; I108-N110 PolarHBondContact O-N 2.92Å; I108-L111 PolarHBondContact O-N 3.31Å; I108-L111 VanDerWaalsContact O-N 3.12Å; I108-N112 WeakPolarHBondContact O-CB 3.38Å; I108-N112 PolarHBondContact O-N 3.2Å; I108-N112 PolarHBondContact O-ND2 2.88Å; I108-I151 HydrophobicContact CG2-CG2 4.29Å; I108-L154 HydrophobicContact CD1-CB 3.98Å; I108-L154 HydrophobicContact CG1-CB 3.69Å; I108-L154 HydrophobicContact CG1-CD1 4.22Å; I108-T155 HydrophobicContact CD1-CG2 3.85Å; I108-I158 HydrophobicContact CD1-CD1 3.4Å; I108-I158 HydrophobicContact CD1-CG1 4.4Å |
| 109 | N | 96.2 | Very high | 94.8 | Very high | 92 Ų | 92 | 77.9 Ų | 77.9 | 49% | 0.492 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.7 | -36.8 | 179 | -78.8 | -43.2 | 0 | 0 | 0 | 113 | E105 K106 K107 K113 | E105-N109 WeakPolarHBondContact O-CB 3.36Å; E105-N109 VanDerWaalsContact O-CG 3.29Å; E105-N109 PolarHBondContact O-N 2.75Å; E105-N109 PolarHBondContact O-ND2 3.28Å; K106-N109 PolarHBondContact O-N 3.03Å; K107-N109 PolarHBondContact O-N 2.78Å; N109-K113 WeakPolarHBondContact O-CG 3.42Å; N109-K113 PolarHBondContact O-N 3.07Å; N109-K113 VanDerWaalsContact O-N 3.16Å |
| 110 | N | 96.7 | Very high | 95.2 | Very high | 87 Ų | 87 | 78.5 Ų | 78.5 | 47% | 0.465 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.6 | -38.3 | 175.3 | -72.8 | -21.6 | 0 | 0 | 0 | 112 | K106 K107 I108 K113 K114 | K106-N110 VanDerWaalsContact O-CG 3.3Å; K106-N110 PolarHBondContact O-N 3.5Å; K106-N110 PolarHBondContact O-ND2 2.9Å; K107-N110 PolarHBondContact O-N 2.93Å; I108-N110 VanDerWaalsContact C-N 3.29Å; I108-N110 PolarHBondContact O-N 2.92Å; N110-K113 WeakPolarHBondContact O-CB 3.29Å; N110-K113 PolarHBondContact O-N 3.17Å; N110-K114 PolarHBondContact O-N 3.33Å |
| 111 | L | 97.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 75.1 Ų | 75.1 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 174.2 | -65.4 | 174.7 | 0 | 0 | 0 | 111.7 | K107 I108 K113 K114 L115 I147 E150 I151 L154 | K107-L111 WeakPolarHBondContact O-CG 3.22Å; K107-L111 PolarHBondContact O-N 2.89Å; I108-L111 PolarHBondContact O-N 3.31Å; I108-L111 VanDerWaalsContact O-N 3.12Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.08Å; L111-K114 HydrophobicContact CD2-CD 4.32Å; L111-K114 WeakPolarHBondContact O-CA 3.24Å; L111-K114 WeakPolarHBondContact O-CB 3.49Å; L111-K114 PolarHBondContact O-N 3.22Å; L111-L115 PolarHBondContact O-N 3.38Å; L111-I147 HydrophobicContact CB-CG2 4.06Å; L111-I147 HydrophobicContact CD2-CG2 4.19Å; L111-E150 HydrophobicContact CD1-CB 4.24Å; L111-E150 HydrophobicContact CD1-CG 3.55Å; L111-I151 HydrophobicContact CB-CD1 3.71Å; L111-I151 HydrophobicContact CB-CG1 3.51Å; L111-I151 HydrophobicContact CD1-CG1 3.8Å; L111-I151 HydrophobicContact CG-CG1 4.31Å; L111-L154 HydrophobicContact CD1-CD1 3.6Å |
| 112 | N | 97 | Very high | 95.4 | Very high | 62 Ų | 62 | 71.1 Ų | 71.1 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.5 | -33.5 | 173.5 | -77.1 | -26 | 0 | 0 | 0 | 113.1 | I108 R116 I151 | I108-N112 WeakPolarHBondContact O-CB 3.38Å; I108-N112 PolarHBondContact O-N 3.2Å; I108-N112 PolarHBondContact O-ND2 2.88Å; N112-R116 PolarHBondContact O-N 3.16Å; N112-I151 WeakPolarHBondContact OD1-CD1 3.4Å |
| 113 | K | 97.9 | Very high | 95.6 | Very high | 105 Ų | 105 | 71 Ų | 71 | 46% | 0.457 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 171 | -73.1 | 169.3 | -174.4 | 171.1 | 0 | 111.3 | N109 N110 L111 L115 R116 D117 | N109-K113 WeakPolarHBondContact O-CG 3.42Å; N109-K113 PolarHBondContact O-N 3.07Å; N109-K113 VanDerWaalsContact O-N 3.16Å; N110-K113 WeakPolarHBondContact O-CB 3.29Å; N110-K113 PolarHBondContact O-N 3.17Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.08Å; K113-L115 VanDerWaalsContact C-N 3.32Å; K113-L115 PolarHBondContact O-N 3.32Å; K113-R116 PolarHBondContact O-N 2.58Å; K113-D117 PolarHBondContact O-N 2.69Å |
| 114 | K | 96.7 | Very high | 95.7 | Very high | 111 Ų | 111 | 73.4 Ų | 73.4 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 177.1 | -64.3 | 177.4 | -177.1 | 177.3 | 0 | 111.8 | N110 L111 D117 I118 I147 | N110-K114 PolarHBondContact O-N 3.33Å; L111-K114 HydrophobicContact CD2-CD 4.32Å; L111-K114 WeakPolarHBondContact O-CA 3.24Å; L111-K114 WeakPolarHBondContact O-CB 3.49Å; L111-K114 PolarHBondContact O-N 3.22Å; K114-D117 PolarHBondContact O-N 3.08Å; K114-I118 WeakPolarHBondContact O-CD1 3.09Å; K114-I118 VanDerWaalsContact O-CG1 3.26Å; K114-I118 WeakPolarHBondContact O-CG1 3.23Å; K114-I118 PolarHBondContact O-N 2.77Å; K114-I147 HydrophobicContact CB-CD1 4.16Å; K114-I147 HydrophobicContact CD-CD1 4.33Å |
| 115 | L | 96 | Very high | 95.6 | Very high | 40 Ų | 40 | 75 Ų | 75 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 174.9 | -74.6 | -177.1 | 0 | 0 | 0 | 112.3 | L111 K113 D117 I118 E119 K144 I147 I151 | L111-L115 PolarHBondContact O-N 3.38Å; K113-L115 VanDerWaalsContact C-N 3.32Å; K113-L115 PolarHBondContact O-N 3.32Å; L115-D117 PolarHBondContact O-N 2.81Å; L115-I118 PolarHBondContact O-N 3.44Å; L115-E119 WeakPolarHBondContact O-CB 3.45Å; L115-E119 PolarHBondContact O-N 3.25Å; L115-K144 HydrophobicContact CD2-CG 3.84Å; L115-I147 HydrophobicContact CD1-CG2 4.48Å; L115-I147 HydrophobicContact CD2-CB 4.18Å; L115-I147 HydrophobicContact CD2-CG2 3.77Å; L115-I147 HydrophobicContact CG-CG2 3.78Å; L115-I151 HydrophobicContact CD1-CD1 3.4Å; L115-I151 HydrophobicContact CG-CD1 4.09Å |
| 116 | R | 96.8 | Very high | 95.5 | Very high | 149 Ų | 149 | 79 Ų | 79 | 56% | 0.562 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 175.6 | -74.1 | -173.3 | -72 | 152.2 | -10 | 112.5 | N112 K113 I118 E119 V120 | N112-R116 PolarHBondContact O-N 3.16Å; K113-R116 PolarHBondContact O-N 2.58Å; R116-I118 VanDerWaalsContact C-N 3.34Å; R116-E119 PolarHBondContact O-N 2.97Å; R116-V120 VanDerWaalsContact O-CG2 3.32Å; R116-V120 WeakPolarHBondContact O-CG2 3.13Å; R116-V120 PolarHBondContact O-N 3.16Å |
| 117 | D | 96.2 | Very high | 95.4 | Very high | 114 Ų | 114 | 80 Ų | 80 | 61% | 0.61 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.5 | -40.1 | 177.8 | -66 | -24.4 | 0 | 0 | 0 | 111.6 | K113 K114 L115 L121 | K113-D117 PolarHBondContact O-N 2.69Å; K114-D117 PolarHBondContact O-N 3.08Å; L115-D117 PolarHBondContact O-N 2.81Å; D117-L121 WeakPolarHBondContact O-CB 3.3Å; D117-L121 PolarHBondContact O-N 3.47Å |
| 118 | I | 96 | Very high | 95 | Very high | 11 Ų | 11 | 77 Ų | 77 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 175.1 | -66.1 | 162.1 | 0 | 0 | 0 | 110.7 | K114 L115 R116 V120 L121 E122 K140 I141 K144 I147 | K114-I118 WeakPolarHBondContact O-CD1 3.09Å; K114-I118 VanDerWaalsContact O-CG1 3.26Å; K114-I118 WeakPolarHBondContact O-CG1 3.23Å; K114-I118 PolarHBondContact O-N 2.77Å; L115-I118 PolarHBondContact O-N 3.44Å; R116-I118 VanDerWaalsContact C-N 3.34Å; I118-V120 PolarHBondContact O-N 3.36Å; I118-L121 WeakPolarHBondContact O-CB 3.5Å; I118-L121 PolarHBondContact O-N 2.64Å; I118-L121 VanDerWaalsContact O-N 3.14Å; I118-E122 HydrophobicContact CG2-CG 4.5Å; I118-E122 WeakPolarHBondContact O-CG 3.47Å; I118-E122 PolarHBondContact O-N 3.01Å; I118-K140 VanDerWaalsContact CD1-O 3.27Å; I118-K140 WeakPolarHBondContact CD1-O 3.38Å; I118-I141 HydrophobicContact CG2-CG1 4.28Å; I118-K144 HydrophobicContact CD1-CB 4.28Å; I118-K144 HydrophobicContact CG2-CB 4.1Å; I118-K144 HydrophobicContact CG2-CD 3.94Å; I118-K144 HydrophobicContact CG2-CG 4.14Å; I118-I147 HydrophobicContact CD1-CD1 3.82Å |
| 119 | E | 95.5 | Very high | 94.7 | Very high | 105 Ų | 105 | 82.8 Ų | 82.8 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 177.3 | -178.7 | 169.1 | -153.3 | 0 | 0 | 111.8 | L115 R116 L121 E122 Q123 | L115-E119 WeakPolarHBondContact O-CB 3.45Å; L115-E119 PolarHBondContact O-N 3.25Å; R116-E119 PolarHBondContact O-N 2.97Å; E119-L121 VanDerWaalsContact C-N 3.26Å; E119-L121 PolarHBondContact O-N 3.43Å; E119-E122 PolarHBondContact O-N 3.37Å; E119-Q123 VanDerWaalsContact O-CG 3.29Å; E119-Q123 WeakPolarHBondContact O-CG 3.15Å; E119-Q123 PolarHBondContact O-N 3.08Å |
| 120 | V | 95.8 | Very high | 94 | Very high | 74 Ų | 74 | 80.8 Ų | 80.8 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 173.6 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | R116 I118 Q123 R124 | R116-V120 VanDerWaalsContact O-CG2 3.32Å; R116-V120 WeakPolarHBondContact O-CG2 3.13Å; R116-V120 PolarHBondContact O-N 3.16Å; I118-V120 PolarHBondContact O-N 3.36Å; V120-Q123 PolarHBondContact O-N 2.77Å; V120-R124 WeakPolarHBondContact O-CG 3.06Å; V120-R124 PolarHBondContact O-N 3.17Å |
| 121 | L | 94.1 | Very high | 93.1 | Very high | 21 Ų | 21 | 85.6 Ų | 85.6 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.2 | -176.5 | 63.5 | 0 | 0 | 0 | 111.9 | D117 I118 E119 Q123 R124 I125 L130 Q137 K140 I141 | D117-L121 WeakPolarHBondContact O-CB 3.3Å; D117-L121 PolarHBondContact O-N 3.47Å; I118-L121 WeakPolarHBondContact O-CB 3.5Å; I118-L121 PolarHBondContact O-N 2.64Å; I118-L121 VanDerWaalsContact O-N 3.14Å; E119-L121 VanDerWaalsContact C-N 3.26Å; E119-L121 PolarHBondContact O-N 3.43Å; L121-Q123 VanDerWaalsContact C-N 3.32Å; L121-Q123 PolarHBondContact O-N 3.29Å; L121-R124 PolarHBondContact O-N 3.15Å; L121-I125 HydrophobicContact CG-CD1 4.4Å; L121-I125 WeakPolarHBondContact O-CG1 3.27Å; L121-I125 PolarHBondContact O-N 3.31Å; L121-I125 VanDerWaalsContact O-N 3.09Å; L121-L130 HydrophobicContact CD1-CD1 3.67Å; L121-Q137 HydrophobicContact CD1-CG 4.36Å; L121-Q137 HydrophobicContact CD2-CB 4Å; L121-Q137 HydrophobicContact CD2-CG 4.32Å; L121-K140 HydrophobicContact CD2-CB 4.48Å; L121-I141 HydrophobicContact CD2-CD1 4.37Å; L121-I141 HydrophobicContact CD2-CG1 4.21Å; L121-I141 HydrophobicContact CG-CD1 4.47Å |
| 122 | E | 93.2 | Very high | 92.6 | Very high | 31 Ų | 31 | 94.1 Ų | 94.1 | 15% | 0.145 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 173.7 | -73.3 | 176.3 | 172.7 | 0 | 0 | 111.6 | I118 E119 I125 R126 I141 K144 | I118-E122 HydrophobicContact CG2-CG 4.5Å; I118-E122 WeakPolarHBondContact O-CG 3.47Å; I118-E122 PolarHBondContact O-N 3.01Å; E119-E122 PolarHBondContact O-N 3.37Å; E122-I125 PolarHBondContact O-N 2.93Å; E122-R126 WeakPolarHBondContact O-CG 3.21Å; E122-R126 PolarHBondContact O-N 3.23Å; E122-I141 HydrophobicContact CG-CD1 4.4Å; E122-I141 HydrophobicContact CG-CG1 4.27Å; E122-I141 HydrophobicContact CG-CG2 4.29Å; E122-K144 VanDerWaalsContact OE1-CD 3.27Å; E122-K144 WeakPolarHBondContact OE1-CD 3.43Å; E122-K144 IonicContact OE1-NZ 3.38Å; E122-K144 PolarHBondContact OE1-NZ 3.22Å; E122-K144 IonicContact OE2-NZ 3.28Å; E122-K144 PolarHBondContact OE2-NZ 3.06Å |
| 123 | Q | 94.2 | Very high | 92.2 | Very high | 75 Ų | 75 | 93.2 Ų | 93.2 | 35% | 0.35 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.3 | -67.5 | -64.7 | -15.8 | 0 | 0 | 112.2 | E119 V120 L121 I125 R126 N127 | E119-Q123 VanDerWaalsContact O-CG 3.29Å; E119-Q123 WeakPolarHBondContact O-CG 3.15Å; E119-Q123 PolarHBondContact O-N 3.08Å; V120-Q123 PolarHBondContact O-N 2.77Å; L121-Q123 VanDerWaalsContact C-N 3.32Å; L121-Q123 PolarHBondContact O-N 3.29Å; Q123-I125 VanDerWaalsContact C-N 3.32Å; Q123-I125 PolarHBondContact O-N 3.49Å; Q123-R126 PolarHBondContact O-N 3.3Å; Q123-N127 WeakPolarHBondContact O-CB 3.5Å; Q123-N127 PolarHBondContact O-N 3.07Å; Q123-N127 PolarHBondContact O-ND2 3.41Å |
| 124 | R | 93.7 | Very high | 92 | Very high | 120 Ų | 120 | 94 Ų | 94 | 45% | 0.453 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.9 | -36.2 | 175.2 | -72.7 | -179.2 | -176 | 171.1 | 2 | 113 | V120 L121 G128 E129 L130 | V120-R124 WeakPolarHBondContact O-CG 3.06Å; V120-R124 PolarHBondContact O-N 3.17Å; L121-R124 PolarHBondContact O-N 3.15Å; R124-G128 PolarHBondContact O-N 3.17Å; R124-E129 PolarHBondContact O-N 3.2Å; R124-E129 VanDerWaalsContact O-N 3.09Å; R124-L130 HydrophobicContact CB-CD1 3.88Å; R124-L130 HydrophobicContact CB-CG 4.23Å; R124-L130 PolarHBondContact O-N 2.99Å |
| 125 | I | 92.7 | Very high | 91.8 | Very high | 50 Ų | 50 | 97 Ų | 97 | 26% | 0.256 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.8 | -46 | 174.5 | -66.2 | 167 | 0 | 0 | 0 | 109.9 | L121 E122 Q123 N127 G128 L130 P133 I141 | L121-I125 HydrophobicContact CG-CD1 4.4Å; L121-I125 WeakPolarHBondContact O-CG1 3.27Å; L121-I125 PolarHBondContact O-N 3.31Å; L121-I125 VanDerWaalsContact O-N 3.09Å; E122-I125 PolarHBondContact O-N 2.93Å; Q123-I125 VanDerWaalsContact C-N 3.32Å; Q123-I125 PolarHBondContact O-N 3.49Å; I125-N127 PolarHBondContact O-N 2.89Å; I125-G128 PolarHBondContact O-N 2.84Å; I125-L130 HydrophobicContact CG1-CB 4.17Å; I125-P133 HydrophobicContact CD1-CB 4.03Å; I125-P133 HydrophobicContact CD1-CG 4.49Å; I125-P133 HydrophobicContact CG1-CB 4.44Å; I125-I141 HydrophobicContact CD1-CD1 3.49Å; I125-I141 VanDerWaalsContact CD1-CD1 3.49Å |
| 126 | R | 92 | Very high | 91.7 | Very high | 179 Ų | 179 | 98.6 Ų | 98.6 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.2 | -42.9 | 176.7 | -73.1 | 176.5 | -177.8 | -177.7 | 1.9 | 113 | E122 Q123 G128 | E122-R126 WeakPolarHBondContact O-CG 3.21Å; E122-R126 PolarHBondContact O-N 3.23Å; Q123-R126 PolarHBondContact O-N 3.3Å; R126-G128 PolarHBondContact O-N 3.27Å |
| 127 | N | 93.3 | Very high | 91.6 | Very high | 124 Ų | 124 | 93.1 Ų | 93.1 | 66% | 0.663 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -7.3 | 176.6 | -69 | -11.8 | 0 | 0 | 0 | 112.8 | Q123 I125 E129 | Q123-N127 WeakPolarHBondContact O-CB 3.5Å; Q123-N127 PolarHBondContact O-N 3.07Å; Q123-N127 PolarHBondContact O-ND2 3.41Å; I125-N127 PolarHBondContact O-N 2.89Å; N127-E129 PolarHBondContact O-N 3.19Å |
| 128 | G | 87.2 | Confident | 91.4 | Very high | 32 Ų | 32 | 91.5 Ų | 91.5 | 33% | 0.33 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 10.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R124 I125 R126 L130 K131 | R124-G128 PolarHBondContact O-N 3.17Å; I125-G128 PolarHBondContact O-N 2.84Å; R126-G128 PolarHBondContact O-N 3.27Å; G128-L130 VanDerWaalsContact C-N 3.3Å; G128-K131 WeakPolarHBondContact O-CG 3.29Å |
| 129 | E | 89.1 | Confident | 91.4 | Very high | 139 Ų | 139 | 95 Ų | 95 | 65% | 0.65 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -65.8 | -38.7 | 174 | -170.5 | 179 | -177.1 | 0 | 0 | 110.1 | R124 N127 | R124-E129 PolarHBondContact O-N 3.2Å; R124-E129 VanDerWaalsContact O-N 3.09Å; N127-E129 PolarHBondContact O-N 3.19Å |
| 130 | L | 81.9 | Confident | 91.4 | Very high | 50 Ų | 50 | 95.6 Ų | 95.6 | 26% | 0.262 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -105.3 | 84 | 174.6 | -66.7 | 174.2 | 0 | 0 | 0 | 110.6 | L121 R124 I125 G128 K132 | L121-L130 HydrophobicContact CD1-CD1 3.67Å; R124-L130 HydrophobicContact CB-CD1 3.88Å; R124-L130 HydrophobicContact CB-CG 4.23Å; R124-L130 PolarHBondContact O-N 2.99Å; I125-L130 HydrophobicContact CG1-CB 4.17Å; G128-L130 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 3.11Å |
| 131 | K | 79 | Confident | 91.3 | Very high | 189 Ų | 189 | 94 Ų | 94 | 82% | 0.822 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -66.9 | -30 | -177 | -63.3 | -175 | -179.9 | -179.8 | 0 | 114.6 | G128 | G128-K131 WeakPolarHBondContact O-CG 3.29Š|
| 132 | K | 87 | Confident | 91.3 | Very high | 195 Ų | 195 | 99.7 Ų | 99.7 | 85% | 0.848 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -130.4 | 92.6 | 176.6 | -69.8 | -173.9 | 180 | -177.6 | 0 | 108.5 | L130 | L130-K132 PolarHBondContact O-N 3.11Š|
| 133 | P | 88.7 | Confident | 91.4 | Very high | 43 Ų | 43 | 104.9 Ų | 104.9 | 28% | 0.279 | 49% | 0.488 | S | S | . | . | trans | -64.6 | 138.6 | 176.9 | 26.1 | -32.8 | 0 | 0 | 0 | 110.4 | I125 Q137 L138 | I125-P133 HydrophobicContact CD1-CB 4.03Å; I125-P133 HydrophobicContact CD1-CG 4.49Å; I125-P133 HydrophobicContact CG1-CB 4.44Å; P133-Q137 HydrophobicContact CB-CB 4.42Å; P133-L138 HydrophobicContact CB-CD2 4.2Å; P133-L138 HydrophobicContact CB-CG 4.4Å; P133-L138 HydrophobicContact CG-CD2 3.94Å; P133-L138 HydrophobicContact CG-CG 4.39Å | ||
| 134 | E | 92.1 | Very high | 91.4 | Very high | 121 Ų | 121 | 104.5 Ų | 104.5 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | trans | -69.4 | 155.8 | 175.1 | -64.5 | -178.7 | 167.1 | 0 | 0 | 110.9 | T136 Q137 L138 | E134-T136 PolarHBondContact O-N 3.17Å; E134-T136 PolarHBondContact OE2-OG1 2.99Å; E134-Q137 HydrophobicContact CB-CG 4.18Å; E134-Q137 WeakPolarHBondContact O-CA 3.4Å; E134-Q137 WeakPolarHBondContact O-CB 3.45Å; E134-Q137 PolarHBondContact O-N 3.43Å; E134-L138 PolarHBondContact O-N 2.97Å; E134-L138 VanDerWaalsContact O-N 3.11Å | ||
| 135 | K | 93.7 | Very high | 91.5 | Very high | 175 Ų | 175 | 105.4 Ų | 105.4 | 76% | 0.761 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -53 | -41.4 | 176.2 | -64.7 | -177.3 | 178.6 | -176.4 | 0 | 112.2 | Q137 L138 E139 | K135-Q137 VanDerWaalsContact C-N 3.25Å; K135-Q137 PolarHBondContact O-N 3.29Å; K135-L138 PolarHBondContact O-N 3.36Å; K135-E139 WeakPolarHBondContact O-CG 3.46Å; K135-E139 PolarHBondContact O-N 3.41Å |
| 136 | T | 93.6 | Very high | 91.6 | Very high | 74 Ų | 74 | 108.5 Ų | 108.5 | 45% | 0.454 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -29.1 | 177.3 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | E134 K140 | E134-T136 PolarHBondContact O-N 3.17Å; E134-T136 PolarHBondContact OE2-OG1 2.99Å; T136-K140 WeakPolarHBondContact O-CG 3.33Å; T136-K140 PolarHBondContact O-N 2.98Å |
| 137 | Q | 94 | Very high | 91.9 | Very high | 34 Ų | 34 | 101.1 Ų | 101.1 | 16% | 0.159 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -77.7 | -40.8 | 176.9 | -67.8 | 175.7 | 11.6 | 0 | 0 | 110.7 | L121 P133 E134 K135 K140 I141 | L121-Q137 HydrophobicContact CD1-CG 4.36Å; L121-Q137 HydrophobicContact CD2-CB 4Å; L121-Q137 HydrophobicContact CD2-CG 4.32Å; P133-Q137 HydrophobicContact CB-CB 4.42Å; E134-Q137 HydrophobicContact CB-CG 4.18Å; E134-Q137 WeakPolarHBondContact O-CA 3.4Å; E134-Q137 WeakPolarHBondContact O-CB 3.45Å; E134-Q137 PolarHBondContact O-N 3.43Å; K135-Q137 VanDerWaalsContact C-N 3.25Å; K135-Q137 PolarHBondContact O-N 3.29Å; Q137-K140 WeakPolarHBondContact O-CB 3.16Å; Q137-K140 PolarHBondContact O-N 3.46Å; Q137-I141 WeakPolarHBondContact O-CG1 3.36Å; Q137-I141 PolarHBondContact O-N 3.38Å; Q137-I141 VanDerWaalsContact O-N 3.16Å |
| 138 | L | 92.8 | Very high | 92 | Very high | 79 Ų | 79 | 97 Ų | 97 | 41% | 0.414 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 173.8 | -64.8 | 174.9 | 0 | 0 | 0 | 111.2 | P133 E134 K135 K140 I141 E142 | P133-L138 HydrophobicContact CB-CD2 4.2Å; P133-L138 HydrophobicContact CB-CG 4.4Å; P133-L138 HydrophobicContact CG-CD2 3.94Å; P133-L138 HydrophobicContact CG-CG 4.39Å; E134-L138 PolarHBondContact O-N 2.97Å; E134-L138 VanDerWaalsContact O-N 3.11Å; K135-L138 PolarHBondContact O-N 3.36Å; L138-K140 PolarHBondContact O-N 2.89Å; L138-I141 WeakPolarHBondContact O-CA 3.47Å; L138-I141 WeakPolarHBondContact O-CB 3.42Å; L138-I141 PolarHBondContact O-N 3.36Å; L138-E142 WeakPolarHBondContact O-CG 3.42Å; L138-E142 PolarHBondContact O-N 3.46Å |
| 139 | E | 95.2 | Very high | 92.5 | Very high | 85 Ų | 85 | 101.7 Ų | 101.7 | 40% | 0.397 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.1 | -34.6 | 175.1 | -73.7 | 178.3 | -149.8 | 0 | 0 | 112.8 | K135 R143 | K135-E139 WeakPolarHBondContact O-CG 3.46Å; K135-E139 PolarHBondContact O-N 3.41Å; E139-R143 WeakPolarHBondContact O-CB 3.45Å; E139-R143 WeakPolarHBondContact O-CG 3.29Å; E139-R143 PolarHBondContact O-N 2.98Å; E139-R143 IonicContact OE2-NH2 3.15Å; E139-R143 PolarHBondContact OE2-NH2 2.95Å |
| 140 | K | 95.2 | Very high | 92.9 | Very high | 118 Ų | 118 | 97.9 Ų | 97.9 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 175.4 | -73.9 | 174.2 | -175.4 | -179.9 | 0 | 111.6 | I118 L121 T136 Q137 L138 R143 | I118-K140 VanDerWaalsContact CD1-O 3.27Å; I118-K140 WeakPolarHBondContact CD1-O 3.38Å; L121-K140 HydrophobicContact CD2-CB 4.48Å; T136-K140 WeakPolarHBondContact O-CG 3.33Å; T136-K140 PolarHBondContact O-N 2.98Å; Q137-K140 WeakPolarHBondContact O-CB 3.16Å; Q137-K140 PolarHBondContact O-N 3.46Å; L138-K140 PolarHBondContact O-N 2.89Å; K140-R143 PolarHBondContact O-N 3.39Å |
| 141 | I | 93.7 | Very high | 93.6 | Very high | 41 Ų | 41 | 96.2 Ų | 96.2 | 21% | 0.21 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69 | -42.4 | 178 | -63.8 | 166.2 | 0 | 0 | 0 | 110.1 | I118 L121 E122 I125 Q137 L138 R143 K144 | I118-I141 HydrophobicContact CG2-CG1 4.28Å; L121-I141 HydrophobicContact CD2-CD1 4.37Å; L121-I141 HydrophobicContact CD2-CG1 4.21Å; L121-I141 HydrophobicContact CG-CD1 4.47Å; E122-I141 HydrophobicContact CG-CD1 4.4Å; E122-I141 HydrophobicContact CG-CG1 4.27Å; E122-I141 HydrophobicContact CG-CG2 4.29Å; I125-I141 HydrophobicContact CD1-CD1 3.49Å; I125-I141 VanDerWaalsContact CD1-CD1 3.49Å; Q137-I141 WeakPolarHBondContact O-CG1 3.36Å; Q137-I141 PolarHBondContact O-N 3.38Å; Q137-I141 VanDerWaalsContact O-N 3.16Å; L138-I141 WeakPolarHBondContact O-CA 3.47Å; L138-I141 WeakPolarHBondContact O-CB 3.42Å; L138-I141 PolarHBondContact O-N 3.36Å; I141-R143 VanDerWaalsContact C-N 3.32Å; I141-R143 PolarHBondContact O-N 3.47Å; I141-K144 WeakPolarHBondContact O-CB 3.17Å; I141-K144 PolarHBondContact O-N 3.19Å; I141-K144 VanDerWaalsContact O-N 3.08Å |
| 142 | E | 94.2 | Very high | 94.4 | Very high | 140 Ų | 140 | 92 Ų | 92 | 65% | 0.654 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.4 | -39.8 | 175.6 | -69.9 | 174.5 | -179.2 | 0 | 0 | 112.2 | L138 K144 | L138-E142 WeakPolarHBondContact O-CG 3.42Å; L138-E142 PolarHBondContact O-N 3.46Å; E142-K144 PolarHBondContact O-N 3.06Å; E142-K144 VanDerWaalsContact O-N 3.1Å |
| 143 | R | 95.2 | Very high | 94.9 | Very high | 140 Ų | 140 | 88.4 Ų | 88.4 | 53% | 0.528 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.1 | -10.6 | 176.9 | -72.1 | 172.2 | -165 | -170.1 | 10 | 113.8 | E139 K140 I141 E145 I146 I147 | E139-R143 WeakPolarHBondContact O-CB 3.45Å; E139-R143 WeakPolarHBondContact O-CG 3.29Å; E139-R143 PolarHBondContact O-N 2.98Å; E139-R143 IonicContact OE2-NH2 3.15Å; E139-R143 PolarHBondContact OE2-NH2 2.95Å; K140-R143 PolarHBondContact O-N 3.39Å; I141-R143 VanDerWaalsContact C-N 3.32Å; I141-R143 PolarHBondContact O-N 3.47Å; R143-E145 VanDerWaalsContact C-N 3.3Å; R143-E145 PolarHBondContact O-N 3.29Å; R143-I146 PolarHBondContact O-N 3.18Å; R143-I147 HydrophobicContact CB-CD1 4.44Å; R143-I147 VanDerWaalsContact O-CG1 3.31Å; R143-I147 WeakPolarHBondContact O-CG1 3.36Å; R143-I147 PolarHBondContact O-N 3.16Å |
| 144 | K | 94.9 | Very high | 95.3 | Very high | 66 Ų | 66 | 86.6 Ų | 86.6 | 29% | 0.287 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -54.9 | -45.3 | 178.9 | -171.7 | -178.4 | -179.6 | -179 | 0 | 112 | L115 I118 E122 I141 E142 I146 I147 A148 | L115-K144 HydrophobicContact CD2-CG 3.84Å; I118-K144 HydrophobicContact CD1-CB 4.28Å; I118-K144 HydrophobicContact CG2-CB 4.1Å; I118-K144 HydrophobicContact CG2-CD 3.94Å; I118-K144 HydrophobicContact CG2-CG 4.14Å; E122-K144 VanDerWaalsContact OE1-CD 3.27Å; E122-K144 WeakPolarHBondContact OE1-CD 3.43Å; E122-K144 IonicContact OE1-NZ 3.38Å; E122-K144 PolarHBondContact OE1-NZ 3.22Å; E122-K144 IonicContact OE2-NZ 3.28Å; E122-K144 PolarHBondContact OE2-NZ 3.06Å; I141-K144 WeakPolarHBondContact O-CB 3.17Å; I141-K144 PolarHBondContact O-N 3.19Å; I141-K144 VanDerWaalsContact O-N 3.08Å; E142-K144 PolarHBondContact O-N 3.06Å; E142-K144 VanDerWaalsContact O-N 3.1Å; K144-I146 PolarHBondContact O-N 2.91Å; K144-I147 PolarHBondContact O-N 3.32Å; K144-A148 PolarHBondContact O-N 3.44Å |
| 145 | E | 95.2 | Very high | 95.4 | Very high | 140 Ų | 140 | 83.1 Ų | 83.1 | 65% | 0.654 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.9 | -40 | -179 | -63.7 | -169.1 | 169.9 | 0 | 0 | 112.2 | R143 A148 K149 | R143-E145 VanDerWaalsContact C-N 3.3Å; R143-E145 PolarHBondContact O-N 3.29Å; E145-A148 PolarHBondContact O-N 2.8Å; E145-K149 WeakPolarHBondContact O-CG 3.3Å; E145-K149 PolarHBondContact O-N 3.24Å |
| 146 | I | 96.5 | Very high | 95.5 | Very high | 114 Ų | 114 | 77.8 Ų | 77.8 | 59% | 0.585 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 177.7 | -58.2 | 172.9 | 0 | 0 | 0 | 109.9 | R143 K144 A148 K149 E150 | R143-I146 PolarHBondContact O-N 3.18Å; K144-I146 PolarHBondContact O-N 2.91Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 2.79Å; I146-K149 PolarHBondContact O-N 2.68Å; I146-E150 WeakPolarHBondContact O-CB 3.39Å; I146-E150 PolarHBondContact O-N 3.24Å |
| 147 | I | 97.3 | Very high | 95.6 | Very high | 24 Ų | 24 | 79 Ų | 79 | 12% | 0.123 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 177.5 | -68.5 | 167.1 | 0 | 0 | 0 | 111 | L111 K114 L115 I118 R143 K144 E150 I151 | L111-I147 HydrophobicContact CB-CG2 4.06Å; L111-I147 HydrophobicContact CD2-CG2 4.19Å; K114-I147 HydrophobicContact CB-CD1 4.16Å; K114-I147 HydrophobicContact CD-CD1 4.33Å; L115-I147 HydrophobicContact CD1-CG2 4.48Å; L115-I147 HydrophobicContact CD2-CB 4.18Å; L115-I147 HydrophobicContact CD2-CG2 3.77Å; L115-I147 HydrophobicContact CG-CG2 3.78Å; I118-I147 HydrophobicContact CD1-CD1 3.82Å; R143-I147 HydrophobicContact CB-CD1 4.44Å; R143-I147 VanDerWaalsContact O-CG1 3.31Å; R143-I147 WeakPolarHBondContact O-CG1 3.36Å; R143-I147 PolarHBondContact O-N 3.16Å; K144-I147 PolarHBondContact O-N 3.32Å; I147-E150 PolarHBondContact O-N 3.2Å; I147-I151 HydrophobicContact CG2-CD1 4Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.44Å |
| 148 | A | 95.8 | Very high | 95.6 | Very high | 38 Ų | 38 | 78.7 Ų | 78.7 | 31% | 0.314 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K144 E145 I146 E150 I151 D152 | K144-A148 PolarHBondContact O-N 3.44Å; E145-A148 PolarHBondContact O-N 2.8Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 2.79Å; A148-E150 PolarHBondContact O-N 3.44Å; A148-I151 WeakPolarHBondContact O-CB 3.2Å; A148-I151 PolarHBondContact O-N 2.91Å; A148-D152 PolarHBondContact O-N 3.06Å |
| 149 | K | 97.2 | Very high | 95.6 | Very high | 131 Ų | 131 | 82.4 Ų | 82.4 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 175.8 | -69.8 | 175.6 | -175.6 | 173.6 | 0 | 112.8 | E145 I146 I151 D152 Q153 | E145-K149 WeakPolarHBondContact O-CG 3.3Å; E145-K149 PolarHBondContact O-N 3.24Å; I146-K149 PolarHBondContact O-N 2.68Å; K149-I151 VanDerWaalsContact C-N 3.33Å; K149-D152 PolarHBondContact O-N 2.91Å; K149-Q153 WeakPolarHBondContact O-CG 3.36Å; K149-Q153 PolarHBondContact O-N 3.46Å |
| 150 | E | 96.9 | Very high | 95.5 | Very high | 58 Ų | 58 | 86.7 Ų | 86.7 | 27% | 0.271 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 175.8 | 177.8 | 73.5 | -173 | 0 | 0 | 111.3 | K107 L111 I146 I147 A148 Q153 L154 | K107-E150 WeakPolarHBondContact CE-OE1 3.47Å; K107-E150 IonicContact NZ-OE1 3.4Å; K107-E150 PolarHBondContact NZ-OE1 2.75Å; L111-E150 HydrophobicContact CD1-CB 4.24Å; L111-E150 HydrophobicContact CD1-CG 3.55Å; I146-E150 WeakPolarHBondContact O-CB 3.39Å; I146-E150 PolarHBondContact O-N 3.24Å; I147-E150 PolarHBondContact O-N 3.2Å; A148-E150 PolarHBondContact O-N 3.44Å; E150-Q153 PolarHBondContact O-N 2.95Å; E150-L154 HydrophobicContact CG-CD1 4.03Å; E150-L154 HydrophobicContact CG-CG 4.48Å; E150-L154 WeakPolarHBondContact O-CB 3.43Å; E150-L154 VanDerWaalsContact O-CG 3.23Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 2.81Å |
| 151 | I | 97.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 85.8 Ų | 85.8 | 8% | 0.077 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 174.3 | -70.4 | 159.9 | 0 | 0 | 0 | 110 | I108 L111 N112 L115 I147 A148 K149 Q153 L154 T155 | I108-I151 HydrophobicContact CG2-CG2 4.29Å; L111-I151 HydrophobicContact CB-CD1 3.71Å; L111-I151 HydrophobicContact CB-CG1 3.51Å; L111-I151 HydrophobicContact CD1-CG1 3.8Å; L111-I151 HydrophobicContact CG-CG1 4.31Å; N112-I151 WeakPolarHBondContact OD1-CD1 3.4Å; L115-I151 HydrophobicContact CD1-CD1 3.4Å; L115-I151 HydrophobicContact CG-CD1 4.09Å; I147-I151 HydrophobicContact CG2-CD1 4Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.44Å; A148-I151 WeakPolarHBondContact O-CB 3.2Å; A148-I151 PolarHBondContact O-N 2.91Å; K149-I151 VanDerWaalsContact C-N 3.33Å; I151-Q153 VanDerWaalsContact C-N 3.3Å; I151-Q153 PolarHBondContact O-N 3.45Å; I151-L154 PolarHBondContact O-N 3.4Å; I151-T155 HydrophobicContact CG2-CG2 4.2Å; I151-T155 WeakPolarHBondContact O-CG2 3.26Å; I151-T155 PolarHBondContact O-N 2.92Å; I151-T155 PolarHBondContact O-OG1 2.84Å |
| 152 | D | 96.6 | Very high | 95.2 | Very high | 102 Ų | 102 | 88.1 Ų | 88.1 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 177.7 | -69.9 | -17.3 | 0 | 0 | 0 | 112.2 | A148 K149 T155 T156 | A148-D152 PolarHBondContact O-N 3.06Å; K149-D152 PolarHBondContact O-N 2.91Å; D152-T155 VanDerWaalsContact CA-OG1 3.32Å; D152-T155 WeakPolarHBondContact CA-OG1 3.25Å; D152-T155 PolarHBondContact O-OG1 2.66Å; D152-T156 VanDerWaalsContact O-CG2 3.31Å; D152-T156 WeakPolarHBondContact O-CG2 3.43Å; D152-T156 PolarHBondContact O-N 2.93Å; D152-T156 VanDerWaalsContact O-N 3.08Å; D152-T156 PolarHBondContact O-OG1 3Å |
| 153 | Q | 97.1 | Very high | 95.2 | Very high | 118 Ų | 118 | 85.3 Ų | 85.3 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.4 | -47.5 | 174.2 | -73.3 | 175.9 | 7.4 | 0 | 0 | 111.4 | K149 E150 I151 T155 T156 E157 | K149-Q153 WeakPolarHBondContact O-CG 3.36Å; K149-Q153 PolarHBondContact O-N 3.46Å; E150-Q153 PolarHBondContact O-N 2.95Å; I151-Q153 VanDerWaalsContact C-N 3.3Å; I151-Q153 PolarHBondContact O-N 3.45Å; Q153-T155 VanDerWaalsContact C-N 3.34Å; Q153-T155 PolarHBondContact O-N 2.99Å; Q153-T156 PolarHBondContact O-N 2.91Å; Q153-T156 PolarHBondContact O-OG1 2.85Å; Q153-E157 PolarHBondContact O-N 3.06Å |
| 154 | L | 96.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 82.3 Ų | 82.3 | 3% | 0.031 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.6 | -32.4 | 180 | -67 | 171 | 0 | 0 | 0 | 112.8 | I104 K107 I108 L111 E150 I151 E157 I158 | I104-L154 HydrophobicContact CG2-CB 3.79Å; I104-L154 HydrophobicContact CG2-CD2 3.93Å; I104-L154 HydrophobicContact CG2-CG 4.35Å; K107-L154 HydrophobicContact CB-CD1 4.22Å; K107-L154 HydrophobicContact CD-CD1 3.61Å; K107-L154 HydrophobicContact CD-CD2 3.99Å; K107-L154 HydrophobicContact CD-CG 4.48Å; K107-L154 HydrophobicContact CG-CD1 3.75Å; I108-L154 HydrophobicContact CD1-CB 3.98Å; I108-L154 HydrophobicContact CG1-CB 3.69Å; I108-L154 HydrophobicContact CG1-CD1 4.22Å; L111-L154 HydrophobicContact CD1-CD1 3.6Å; E150-L154 HydrophobicContact CG-CD1 4.03Å; E150-L154 HydrophobicContact CG-CG 4.48Å; E150-L154 WeakPolarHBondContact O-CB 3.43Å; E150-L154 VanDerWaalsContact O-CG 3.23Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 2.81Å; I151-L154 PolarHBondContact O-N 3.4Å; L154-E157 PolarHBondContact O-N 2.98Å; L154-I158 WeakPolarHBondContact O-CG1 3.1Å; L154-I158 PolarHBondContact O-N 3.22Å |
| 155 | T | 95.2 | Very high | 95.2 | Very high | 48 Ų | 48 | 83.2 Ų | 83.2 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 173.7 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | I108 I151 D152 Q153 E157 I158 E159 | I108-T155 HydrophobicContact CD1-CG2 3.85Å; I151-T155 HydrophobicContact CG2-CG2 4.2Å; I151-T155 WeakPolarHBondContact O-CG2 3.26Å; I151-T155 PolarHBondContact O-N 2.92Å; I151-T155 PolarHBondContact O-OG1 2.84Å; D152-T155 VanDerWaalsContact CA-OG1 3.32Å; D152-T155 WeakPolarHBondContact CA-OG1 3.25Å; D152-T155 PolarHBondContact O-OG1 2.66Å; Q153-T155 VanDerWaalsContact C-N 3.34Å; Q153-T155 PolarHBondContact O-N 2.99Å; T155-E157 VanDerWaalsContact C-N 3.27Å; T155-E157 PolarHBondContact O-N 2.63Å; T155-I158 PolarHBondContact O-N 2.82Å; T155-E159 WeakPolarHBondContact O-CG 3.31Å; T155-E159 PolarHBondContact O-N 2.99Å |
| 156 | T | 95.9 | Very high | 95.2 | Very high | 63 Ų | 63 | 79.7 Ų | 79.7 | 39% | 0.387 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.7 | -30.8 | 173.7 | 65.9 | 0 | 0 | 0 | 0 | 112.8 | D152 Q153 E159 K160 | D152-T156 VanDerWaalsContact O-CG2 3.31Å; D152-T156 WeakPolarHBondContact O-CG2 3.43Å; D152-T156 PolarHBondContact O-N 2.93Å; D152-T156 VanDerWaalsContact O-N 3.08Å; D152-T156 PolarHBondContact O-OG1 3Å; Q153-T156 PolarHBondContact O-N 2.91Å; Q153-T156 PolarHBondContact O-OG1 2.85Å; T156-E159 PolarHBondContact O-N 3.41Å; T156-K160 VanDerWaalsContact O-CG 3.3Å; T156-K160 WeakPolarHBondContact O-CG 3.19Å; T156-K160 PolarHBondContact O-N 3.07Å |
| 157 | E | 94.8 | Very high | 95.2 | Very high | 98 Ų | 98 | 77.4 Ų | 77.4 | 46% | 0.458 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 174 | -169.2 | 176.1 | -175.3 | 0 | 0 | 111.4 | I104 Q153 L154 T155 E159 K160 L161 | I104-E157 HydrophobicContact CD1-CG 3.97Å; Q153-E157 PolarHBondContact O-N 3.06Å; L154-E157 PolarHBondContact O-N 2.98Å; T155-E157 VanDerWaalsContact C-N 3.27Å; T155-E157 PolarHBondContact O-N 2.63Å; E157-E159 VanDerWaalsContact C-N 3.34Å; E157-E159 PolarHBondContact O-N 2.78Å; E157-K160 PolarHBondContact O-N 2.87Å; E157-L161 WeakPolarHBondContact O-CG 3.25Å; E157-L161 PolarHBondContact O-N 2.74Å |
| 158 | I | 93.6 | Very high | 95 | Very high | 29 Ų | 29 | 81.2 Ų | 81.2 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 172.8 | -74 | 178.6 | 0 | 0 | 0 | 111.7 | I104 E105 I108 L154 T155 K160 L161 | I104-I158 HydrophobicContact CB-CD1 3.94Å; I104-I158 HydrophobicContact CB-CG1 3.7Å; I104-I158 HydrophobicContact CD1-CG1 4.24Å; I104-I158 HydrophobicContact CG2-CD1 3.67Å; I104-I158 HydrophobicContact CG2-CG1 3.46Å; I104-I158 VanDerWaalsContact CG2-CG1 3.46Å; E105-I158 HydrophobicContact CB-CD1 4.5Å; E105-I158 HydrophobicContact CG-CD1 3.67Å; I108-I158 HydrophobicContact CD1-CD1 3.4Å; I108-I158 HydrophobicContact CD1-CG1 4.4Å; L154-I158 WeakPolarHBondContact O-CG1 3.1Å; L154-I158 PolarHBondContact O-N 3.22Å; T155-I158 PolarHBondContact O-N 2.82Å; I158-K160 VanDerWaalsContact C-N 3.26Å; I158-K160 PolarHBondContact O-N 3.07Å; I158-L161 PolarHBondContact O-N 3.29Å |
| 159 | E | 93 | Very high | 94.9 | Very high | 157 Ų | 157 | 84.5 Ų | 84.5 | 73% | 0.734 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.1 | -27.8 | 179.4 | -74.5 | 179.1 | 176.4 | 0 | 0 | 113 | T155 T156 E157 | T155-E159 WeakPolarHBondContact O-CG 3.31Å; T155-E159 PolarHBondContact O-N 2.99Å; T156-E159 PolarHBondContact O-N 3.41Å; E157-E159 VanDerWaalsContact C-N 3.34Å; E157-E159 PolarHBondContact O-N 2.78Å |
| 160 | K | 93.2 | Very high | 94.8 | Very high | 174 Ų | 174 | 80.7 Ų | 80.7 | 76% | 0.757 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -80.9 | -26.7 | 177.5 | -74.9 | 170.1 | -176.1 | 170.5 | 0 | 113.7 | T156 E157 I158 | T156-K160 VanDerWaalsContact O-CG 3.3Å; T156-K160 WeakPolarHBondContact O-CG 3.19Å; T156-K160 PolarHBondContact O-N 3.07Å; E157-K160 PolarHBondContact O-N 2.87Å; I158-K160 VanDerWaalsContact C-N 3.26Å; I158-K160 PolarHBondContact O-N 3.07Å |
| 161 | L | 86.9 | Confident | 94.6 | Very high | 100 Ų | 100 | 82.7 Ų | 82.7 | 52% | 0.524 | 41% | 0.41 | S | S | . | . | trans | -72.7 | 0 | 172.5 | -70.5 | 176.5 | 0 | 0 | 0 | 111 | P100 R101 I104 E157 I158 | P100-L161 HydrophobicContact CB-CD1 4.35Å; R101-L161 HydrophobicContact CG-CB 3.9Å; R101-L161 HydrophobicContact CG-CD1 3.93Å; R101-L161 VanDerWaalsContact CZ-C 3.47Å; R101-L161 VanDerWaalsContact CZ-O 3.29Å; R101-L161 PolarHBondContact NE-O 3.46Å; R101-L161 VanDerWaalsContact NE-O 3.16Å; R101-L161 PolarHBondContact NH2-O 3.4Å; R101-L161 PolarHBondContact NH2-OXT 3.26Å; I104-L161 HydrophobicContact CD1-CD1 3.49Å; I104-L161 VanDerWaalsContact CD1-CD1 3.49Å; E157-L161 WeakPolarHBondContact O-CG 3.25Å; E157-L161 PolarHBondContact O-N 2.74Å; I158-L161 PolarHBondContact O-N 3.29Å |
Retrieved 161 of 161 residues in 95.7 ms
(Link to these results)