| 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 | 36.1 | Very low | 49.7 | Very low | 236 Ų | 236 | 143.4 Ų | 143.4 | 100% | 1.163 | 68% | 0.682 | S | S | * | * | 0 | 104.6 | 0 | -66.7 | 175.6 | -178.2 | 0 | 0 | 106.9 | |||||
| 2 | I | 39.7 | Very low | 51.5 | Low | 161 Ų | 161 | 133.8 Ų | 133.8 | 83% | 0.826 | 64% | 0.642 | S | S | * | * | trans | -120.7 | 85 | 172.4 | -36.5 | 174.5 | 0 | 0 | 0 | 105.4 | E4 | I2-E4 VanDerWaalsContact C-N 3.34Å; I2-E4 HydrophobicContact CG2-CG 4.27Å; I2-E4 PolarHBondContact O-N 3.49Å | ||
| 3 | T | 39.8 | Very low | 52.8 | Low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | trans | -81.1 | 88.2 | 169.3 | 42.5 | 0 | 0 | 0 | 0 | 107 | H5 | T3-H5 VanDerWaalsContact C-N 3.34Å; T3-H5 PolarHBondContact O-N 2.95Å | ||
| 4 | E | 44.1 | Very low | 53.6 | Low | 143 Ų | 143 | 136.5 Ų | 136.5 | 67% | 0.668 | 66% | 0.663 | S | S | * | * | trans | -64.6 | 96.2 | 168 | -70 | -177.9 | 126.8 | 0 | 0 | 108.4 | I2 F6 R42 | I2-E4 VanDerWaalsContact C-N 3.34Å; I2-E4 HydrophobicContact CG2-CG 4.27Å; I2-E4 PolarHBondContact O-N 3.49Å; E4-F6 VanDerWaalsContact C-N 3.3Å; E4-F6 PolarHBondContact O-N 2.87Å; E4-R42 IonicContact OE2-NH1 3.28Å; E4-R42 PolarHBondContact OE2-NH1 3.38Å | ||
| 5 | H | 43.1 | Very low | 54.1 | Low | 175 Ų | 175 | 136.1 Ų | 136.1 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | trans | -69.4 | 88.3 | 168.4 | -95.5 | -82.2 | 0 | 0 | 0 | 108.9 | T3 E7 | T3-H5 VanDerWaalsContact C-N 3.34Å; T3-H5 PolarHBondContact O-N 2.95Å; H5-E7 PolarHBondContact O-N 2.93Å; H5-E7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | F | 48.6 | Very low | 54.6 | Low | 130 Ų | 130 | 129.9 Ų | 129.9 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | trans | -73.6 | 97.9 | 172.1 | -160.6 | -97.6 | 0 | 0 | 0 | 109 | E4 R8 D39 | E4-F6 VanDerWaalsContact C-N 3.3Å; E4-F6 PolarHBondContact O-N 2.87Å; F6-R8 PolarHBondContact O-N 3.14Å; F6-R8 VanDerWaalsContact O-N 3.15Å; F6-D39 WeakPolarHBondContact CZ-O 3.41Å | ||
| 7 | E | 47.1 | Very low | 55.4 | Low | 154 Ų | 154 | 134.8 Ų | 134.8 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | trans | -56.8 | 115.9 | 175.5 | -76.1 | -179.1 | 152.5 | 0 | 0 | 110.2 | H5 R9 | H5-E7 PolarHBondContact O-N 2.93Å; H5-E7 VanDerWaalsContact O-N 3.11Å; E7-R9 VanDerWaalsContact C-N 3.32Å; E7-R9 PolarHBondContact O-N 2.74Å | ||
| 8 | R | 50.4 | Low | 56.2 | Low | 204 Ų | 204 | 132.2 Ų | 132.2 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | trans | -67.8 | 83.2 | -177.7 | -62.2 | -179 | -163.8 | 120.9 | 0.7 | 110.9 | F6 | F6-R8 PolarHBondContact O-N 3.14Å; F6-R8 VanDerWaalsContact O-N 3.15Å | ||
| 9 | R | 57.7 | Low | 57.7 | Low | 199 Ų | 199 | 129.2 Ų | 129.2 | 75% | 0.751 | 65% | 0.651 | S | S | * | * | trans | -102.9 | 128.1 | 167.4 | -68.9 | -172.2 | 171.3 | -162.7 | -1.5 | 109.2 | E7 V27 | E7-R9 VanDerWaalsContact C-N 3.32Å; E7-R9 PolarHBondContact O-N 2.74Å; R9-V27 VanDerWaalsContact O-CG2 3.27Å; R9-V27 WeakPolarHBondContact O-CG2 3.44Å | ||
| 10 | G | 64.7 | Low | 59.2 | Low | 41 Ų | 41 | 129.4 Ų | 129.4 | 42% | 0.423 | 65% | 0.645 | S | S | . | * | trans | -64.1 | 140.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | C12 | G10-C12 VanDerWaalsContact C-N 3.35Š| ||
| 11 | I | 75.6 | Confident | 60.5 | Low | 16 Ų | 16 | 127.8 Ų | 127.8 | 8% | 0.082 | 64% | 0.637 | C | S | . | * | S | Bend | trans | -75 | -31.5 | -176.8 | -62.8 | 152 | 0 | 0 | 0 | 111.1 | T13 V27 R28 C34 H37 H40 | I11-T13 PolarHBondContact O-N 3.45Å; I11-V27 HydrophobicContact CD1-CB 4.26Å; I11-V27 HydrophobicContact CD1-CG1 3.59Å; I11-V27 HydrophobicContact CD1-CG2 3.61Å; I11-V27 HydrophobicContact CG1-CG2 3.63Å; I11-R28 PolarHBondContact N-O 2.73Å; I11-C34 HydrophobicContact CB-CB 4.37Å; I11-C34 VanDerWaalsContact CD1-O 3.24Å; I11-C34 WeakPolarHBondContact CD1-O 3.44Å; I11-C34 HydrophobicContact CG2-CB 3.97Å; I11-C34 VanDerWaalsContact CG2-O 3.29Å; I11-C34 WeakPolarHBondContact CG2-O 3.35Å; I11-H37 HydrophobicContact CG2-CB 3.25Å; I11-H37 VanDerWaalsContact CG2-CG 3.43Å; I11-H40 HydrophobicContact CD1-CB 3.33Å; I11-H40 HydrophobicContact CG1-CB 4.29Å |
| 12 | C | 71.1 | Confident | 63 | Low | 29 Ų | 29 | 116.6 Ų | 116.6 | 20% | 0.196 | 58% | 0.582 | C | S | . | * | trans | -85.2 | 114 | -177.6 | -169.3 | 0 | 0 | 0 | 0 | 109.9 | G10 K14 C30 C34 | G10-C12 VanDerWaalsContact C-N 3.35Å; C12-K14 PolarHBondContact SG-O 3.17Å; C12-K14 VanDerWaalsContact SG-O 3.39Å; C12-C30 HydrophobicContact CB-CB 3.84Å; C12-C30 WeakPolarHBondContact CB-SG 3.34Å; C12-C30 WeakPolarHBondContact SG-CB 3.34Å; C12-C30 CovalentContact SG-SG 2.06Å; C12-C30 PolarHBondContact SG-SG 3.25Å; C12-C34 HydrophobicContact CB-CB 4.35Å; C12-C34 VanDerWaalsContact CB-SG 3.58Å | ||
| 13 | T | 67.9 | Low | 65.3 | Low | 143 Ų | 143 | 114.6 Ų | 114.6 | 88% | 0.877 | 58% | 0.58 | S | S | * | * | trans | -79.5 | -7.4 | 169 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | I11 | I11-T13 PolarHBondContact O-N 3.45Š| ||
| 14 | K | 64.5 | Low | 67.6 | Low | 162 Ų | 162 | 113.7 Ų | 113.7 | 70% | 0.704 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -88.1 | 132.3 | -179.5 | -58.5 | 178.7 | -178.4 | 176.5 | 0 | 110.4 | C12 S16 | C12-K14 PolarHBondContact SG-O 3.17Å; C12-K14 VanDerWaalsContact SG-O 3.39Å; K14-S16 PolarHBondContact O-N 2.62Å; K14-S16 PolarHBondContact O-OG 3.16Å |
| 15 | S | 61.2 | Low | 69.7 | Low | 130 Ų | 130 | 108.4 Ų | 108.4 | 91% | 0.909 | 54% | 0.541 | S | S | * | . | trans | -69 | 68.1 | 171.1 | 44.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 16 | S | 62.9 | Low | 71.8 | Confident | 38 Ų | 38 | 104.6 Ų | 104.6 | 27% | 0.266 | 53% | 0.527 | S | S | . | . | trans | -80.9 | 139.5 | 176.1 | 51.4 | 0 | 0 | 0 | 0 | 110.4 | K14 T18 C30 | K14-S16 PolarHBondContact O-N 2.62Å; K14-S16 PolarHBondContact O-OG 3.16Å; S16-T18 PolarHBondContact O-N 3.3Å; S16-C30 WeakPolarHBondContact OG-CB 3.48Å | ||
| 17 | K | 67.2 | Low | 73.5 | Confident | 213 Ų | 213 | 98.8 Ų | 98.8 | 93% | 0.926 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -69.6 | -19.4 | -179.5 | -69.1 | -176.6 | -179.6 | 179.6 | 0 | 113.3 | ||
| 18 | T | 70.9 | Confident | 75.4 | Confident | 87 Ų | 87 | 98.4 Ų | 98.4 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | trans | -123.4 | 109.6 | -176.8 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | S16 | S16-T18 PolarHBondContact O-N 3.3Š| ||
| 19 | V | 83.1 | Confident | 77.2 | Confident | 75 Ų | 75 | 90.9 Ų | 90.9 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | trans | -114.6 | 123 | 179.4 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | R28 | V19-R28 HydrophobicContact CG1-CB 3.6Å; V19-R28 HydrophobicContact CG1-CG 3.89Å | ||
| 20 | Y | 87.8 | Confident | 78.7 | Confident | 134 Ų | 134 | 82.5 Ų | 82.5 | 53% | 0.525 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 156.1 | 172.1 | -59.8 | -85.1 | 0 | 0 | 0 | 110.1 | R28 Y29 | Y20-R28 WeakPolarHBondContact O-CA 3.43Å; Y20-Y29 VanDerWaalsContact CB-CZ 3.41Å; Y20-Y29 HydrophobicContact CD2-CE2 4.29Å; Y20-Y29 HydrophobicContact CG-CE2 4.18Å; Y20-Y29 PolarHBondContact N-O 3.01Å; Y20-Y29 PolarHBondContact O-N 2.99Å |
| 21 | I | 87.8 | Confident | 79.8 | Confident | 95 Ų | 95 | 82.5 Ų | 82.5 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.6 | -179.3 | -58.1 | 178.5 | 0 | 0 | 0 | 108.7 | N26 V27 R28 | I21-N26 HydrophobicContact CG2-CB 4.29Å; I21-V27 WeakPolarHBondContact CA-O 3.21Å; I21-R28 HydrophobicContact CG1-CG 4.29Å |
| 22 | C | 88.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 85.8 Ų | 85.8 | 1% | 0.007 | 45% | 0.452 | C | S | . | . | trans | -67.6 | 126.1 | 174.2 | 179 | 0 | 0 | 0 | 0 | 109.7 | R24 N26 V27 Y29 H40 | C22-R24 PolarHBondContact O-N 2.93Å; C22-N26 WeakPolarHBondContact O-CA 3.3Å; C22-N26 PolarHBondContact O-N 3.19Å; C22-V27 HydrophobicContact CB-CG1 3.8Å; C22-V27 PolarHBondContact N-O 3.28Å; C22-Y29 HydrophobicContact CB-CE1 4.33Å; C22-H40 WeakPolarHBondContact CB-NE2 3.48Å; C22-H40 PolarHBondContact SG-NE2 3.1Å | ||
| 23 | P | 87.9 | Confident | 81.1 | Confident | 119 Ų | 119 | 90.2 Ų | 90.2 | 77% | 0.773 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -14.4 | -178.7 | 27.9 | -35.5 | 0 | 0 | 0 | 113.6 | ||
| 24 | R | 88 | Confident | 82.1 | Confident | 100 Ų | 100 | 84.2 Ų | 84.2 | 38% | 0.377 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -41.5 | -176.6 | -71.9 | -175 | -100.3 | -146.3 | -7.7 | 113.9 | C22 C43 F47 | C22-R24 PolarHBondContact O-N 2.93Å; R24-C43 PolarHBondContact NH2-O 3.2Å; R24-F47 VanDerWaalsContact NH2-CA 3.25Å |
| 25 | C | 88.4 | Confident | 83.2 | Confident | 31 Ų | 31 | 77.5 Ų | 77.5 | 21% | 0.209 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -0.1 | -175.2 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | V27 H40 | C25-V27 PolarHBondContact O-N 3.37Å; C25-V27 VanDerWaalsContact O-N 3.16Å; C25-V27 VanDerWaalsContact SG-CG1 3.56Å; C25-H40 PolarHBondContact SG-CD2 3.33Å; C25-H40 PolarHBondContact SG-NE2 2.69Å |
| 26 | N | 86 | Confident | 84.6 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | trans | 60.6 | 19.7 | -179.2 | -57.7 | 81.4 | 0 | 0 | 0 | 114.7 | I21 C22 | I21-N26 HydrophobicContact CG2-CB 4.29Å; C22-N26 WeakPolarHBondContact O-CA 3.3Å; C22-N26 PolarHBondContact O-N 3.19Å | ||
| 27 | V | 85.3 | Confident | 85.8 | Confident | 7 Ų | 7 | 79.8 Ų | 79.8 | 4% | 0.042 | 39% | 0.394 | C | S | . | . | trans | -71.5 | 143.7 | 175.1 | 81.4 | 0 | 0 | 0 | 0 | 111 | R9 I11 I21 C22 C25 H40 | R9-V27 VanDerWaalsContact O-CG2 3.27Å; R9-V27 WeakPolarHBondContact O-CG2 3.44Å; I11-V27 HydrophobicContact CD1-CB 4.26Å; I11-V27 HydrophobicContact CD1-CG1 3.59Å; I11-V27 HydrophobicContact CD1-CG2 3.61Å; I11-V27 HydrophobicContact CG1-CG2 3.63Å; I21-V27 WeakPolarHBondContact CA-O 3.21Å; C22-V27 HydrophobicContact CB-CG1 3.8Å; C22-V27 PolarHBondContact N-O 3.28Å; C25-V27 PolarHBondContact O-N 3.37Å; C25-V27 VanDerWaalsContact O-N 3.16Å; C25-V27 VanDerWaalsContact SG-CG1 3.56Å; V27-H40 WeakPolarHBondContact CG1-CD2 3.24Å; V27-H40 WeakPolarHBondContact CG1-NE2 3.12Å | ||
| 28 | R | 87.5 | Confident | 86.7 | Confident | 147 Ų | 147 | 74 Ų | 74 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.1 | 177.4 | -68.9 | -173.6 | -172.7 | 99.5 | -1.4 | 110.4 | I11 V19 Y20 I21 | I11-R28 PolarHBondContact N-O 2.73Å; V19-R28 HydrophobicContact CG1-CB 3.6Å; V19-R28 HydrophobicContact CG1-CG 3.89Å; Y20-R28 WeakPolarHBondContact O-CA 3.43Å; I21-R28 HydrophobicContact CG1-CG 4.29Å |
| 29 | Y | 88.1 | Confident | 87.3 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 18% | 0.18 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.1 | 176.5 | 67.4 | -86 | 0 | 0 | 0 | 110.6 | Y20 C22 F35 | Y20-Y29 VanDerWaalsContact CB-CZ 3.41Å; Y20-Y29 HydrophobicContact CD2-CE2 4.29Å; Y20-Y29 HydrophobicContact CG-CE2 4.18Å; Y20-Y29 PolarHBondContact N-O 3.01Å; Y20-Y29 PolarHBondContact O-N 2.99Å; C22-Y29 HydrophobicContact CB-CE1 4.33Å; Y29-F35 HydrophobicContact CD1-CD2 4.16Å; Y29-F35 HydrophobicContact CD2-CB 3.88Å; Y29-F35 HydrophobicContact CD2-CD2 4.26Å; Y29-F35 AromaticContact CE1-CD2 3.87Å; Y29-F35 HydrophobicContact CE1-CD2 3.87Å; Y29-F35 HydrophobicContact CE1-CE2 4.43Å; Y29-F35 HydrophobicContact CE2-CB 4.13Å; Y29-F35 AromaticContact CE2-CD2 3.97Å; Y29-F35 HydrophobicContact CE2-CD2 3.97Å; Y29-F35 HydrophobicContact CE2-CG 4.43Å; Y29-F35 HydrophobicContact CG-CB 4.3Å; Y29-F35 HydrophobicContact CG-CD2 4.35Å; Y29-F35 AromaticContact CZ-CD2 3.77Å |
| 30 | C | 88 | Confident | 87.5 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -112.4 | -22.6 | -173.8 | 61.2 | 0 | 0 | 0 | 0 | 114 | C12 S16 C34 | C12-C30 HydrophobicContact CB-CB 3.84Å; C12-C30 WeakPolarHBondContact CB-SG 3.34Å; C12-C30 WeakPolarHBondContact SG-CB 3.34Å; C12-C30 CovalentContact SG-SG 2.06Å; C12-C30 PolarHBondContact SG-SG 3.25Å; S16-C30 WeakPolarHBondContact OG-CB 3.48Å; C30-C34 PolarHBondContact SG-SG 3.11Å |
| 31 | S | 87.4 | Confident | 87.6 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -143.5 | 172.3 | 179 | 71.9 | 0 | 0 | 0 | 0 | 110.4 | D33 C34 F35 | S31-D33 PolarHBondContact O-N 3.48Å; S31-D33 PolarHBondContact OG-N 3.29Å; S31-D33 PolarHBondContact OG-OD2 3.44Å; S31-D33 VanDerWaalsContact OG-OD2 3.07Å; S31-C34 PolarHBondContact O-N 3.02Å; S31-C34 PolarHBondContact OG-N 3.01Å; S31-F35 PolarHBondContact O-N 3.46Å |
| 32 | V | 88.4 | Confident | 87.7 | Confident | 86 Ų | 86 | 74 Ų | 74 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.5 | -34.6 | 172.3 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | C34 F35 R36 | V32-C34 VanDerWaalsContact C-N 3.32Å; V32-C34 PolarHBondContact O-N 3.26Å; V32-F35 WeakPolarHBondContact O-CA 3.45Å; V32-F35 WeakPolarHBondContact O-CB 3.46Å; V32-F35 PolarHBondContact O-N 2.99Å; V32-F35 VanDerWaalsContact O-N 3.07Å; V32-R36 HydrophobicContact CG1-CG 4.34Å; V32-R36 WeakPolarHBondContact O-CG 3.45Å; V32-R36 PolarHBondContact O-N 2.66Å |
| 33 | D | 87.2 | Confident | 87.8 | Confident | 122 Ų | 122 | 74.8 Ų | 74.8 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.3 | -41.8 | 176.6 | -42.4 | -57.9 | 0 | 0 | 0 | 111.4 | S31 F35 R36 H37 | S31-D33 PolarHBondContact O-N 3.48Å; S31-D33 PolarHBondContact OG-N 3.29Å; S31-D33 PolarHBondContact OG-OD2 3.44Å; S31-D33 VanDerWaalsContact OG-OD2 3.07Å; D33-F35 VanDerWaalsContact C-N 3.32Å; D33-R36 PolarHBondContact O-N 3Å; D33-H37 PolarHBondContact O-N 3.03Å; D33-H37 VanDerWaalsContact O-N 3.14Å |
| 34 | C | 88 | Confident | 88 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.5 | -32.4 | 174.3 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | I11 C12 C30 S31 V32 R36 | I11-C34 HydrophobicContact CB-CB 4.37Å; I11-C34 VanDerWaalsContact CD1-O 3.24Å; I11-C34 WeakPolarHBondContact CD1-O 3.44Å; I11-C34 HydrophobicContact CG2-CB 3.97Å; I11-C34 VanDerWaalsContact CG2-O 3.29Å; I11-C34 WeakPolarHBondContact CG2-O 3.35Å; C12-C34 HydrophobicContact CB-CB 4.35Å; C12-C34 VanDerWaalsContact CB-SG 3.58Å; C30-C34 PolarHBondContact SG-SG 3.11Å; S31-C34 PolarHBondContact O-N 3.02Å; S31-C34 PolarHBondContact OG-N 3.01Å; V32-C34 VanDerWaalsContact C-N 3.32Å; V32-C34 PolarHBondContact O-N 3.26Å; C34-R36 VanDerWaalsContact C-N 3.29Å; C34-R36 PolarHBondContact O-N 3.11Å |
| 35 | F | 88.1 | Confident | 88.2 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 174.3 | -175 | -98.4 | 0 | 0 | 0 | 112.1 | Y29 S31 V32 D33 H40 S44 F47 Y48 | Y29-F35 HydrophobicContact CD1-CD2 4.16Å; Y29-F35 HydrophobicContact CD2-CB 3.88Å; Y29-F35 HydrophobicContact CD2-CD2 4.26Å; Y29-F35 AromaticContact CE1-CD2 3.87Å; Y29-F35 HydrophobicContact CE1-CD2 3.87Å; Y29-F35 HydrophobicContact CE1-CE2 4.43Å; Y29-F35 HydrophobicContact CE2-CB 4.13Å; Y29-F35 AromaticContact CE2-CD2 3.97Å; Y29-F35 HydrophobicContact CE2-CD2 3.97Å; Y29-F35 HydrophobicContact CE2-CG 4.43Å; Y29-F35 HydrophobicContact CG-CB 4.3Å; Y29-F35 HydrophobicContact CG-CD2 4.35Å; Y29-F35 AromaticContact CZ-CD2 3.77Å; S31-F35 PolarHBondContact O-N 3.46Å; V32-F35 WeakPolarHBondContact O-CA 3.45Å; V32-F35 WeakPolarHBondContact O-CB 3.46Å; V32-F35 PolarHBondContact O-N 2.99Å; V32-F35 VanDerWaalsContact O-N 3.07Å; D33-F35 VanDerWaalsContact C-N 3.32Å; F35-H40 AromaticContact CD2-CE1 3.6Å; F35-H40 AromaticContact CD2-ND1 3.86Å; F35-H40 AromaticContact CE2-CE1 3.47Å; F35-H40 VanDerWaalsContact CE2-CE1 3.47Å; F35-H40 WeakPolarHBondContact CE2-CE1 3.46Å; F35-H40 PolarHBondContact O-ND1 3.17Å; F35-S44 VanDerWaalsContact O-CB 3.27Å; F35-S44 WeakPolarHBondContact O-CB 3.4Å; F35-F47 HydrophobicContact CE1-CB 4.19Å; F35-F47 HydrophobicContact CE1-CD1 4.06Å; F35-F47 HydrophobicContact CE1-CG 4.29Å; F35-F47 HydrophobicContact CZ-CB 3.99Å; F35-F47 HydrophobicContact CZ-CD1 4.29Å; F35-F47 HydrophobicContact CZ-CG 4.1Å; F35-Y48 WeakPolarHBondContact CD1-OH 3.43Å |
| 36 | R | 89.6 | Confident | 88.3 | Confident | 143 Ų | 143 | 74.9 Ų | 74.9 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1 | -179.3 | -69.1 | -178.8 | 172.8 | 174.2 | -1.4 | 114.9 | V32 D33 C34 Y48 | V32-R36 HydrophobicContact CG1-CG 4.34Å; V32-R36 WeakPolarHBondContact O-CG 3.45Å; V32-R36 PolarHBondContact O-N 2.66Å; D33-R36 PolarHBondContact O-N 3Å; C34-R36 VanDerWaalsContact C-N 3.29Å; C34-R36 PolarHBondContact O-N 3.11Å; R36-Y48 HydrophobicContact CG-CE2 3.99Å; R36-Y48 WeakPolarHBondContact CG-OH 3.33Å; R36-Y48 PolarHBondContact NE-OH 3.46Å |
| 37 | H | 87.8 | Confident | 88.7 | Confident | 72 Ų | 72 | 74.7 Ų | 74.7 | 33% | 0.333 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -60.2 | 147.6 | -177.7 | -164.9 | -96.3 | 0 | 0 | 0 | 111.4 | I11 D33 D39 H40 L41 | I11-H37 HydrophobicContact CG2-CB 3.25Å; I11-H37 VanDerWaalsContact CG2-CG 3.43Å; D33-H37 PolarHBondContact O-N 3.03Å; D33-H37 VanDerWaalsContact O-N 3.14Å; H37-D39 IonicContact CE1-OD2 3.95Å; H37-D39 PolarHBondContact CE1-OD2 2.91Å; H37-D39 PolarHBondContact ND1-N 2.74Å; H37-D39 IonicContact ND1-OD2 3.61Å; H37-D39 PolarHBondContact ND1-OD2 3.28Å; H37-D39 VanDerWaalsContact ND1-OD2 3.13Å; H37-D39 PolarHBondContact O-N 3.48Å; H37-D39 VanDerWaalsContact O-N 3.12Å; H37-H40 CarbonylContact O-C 3.56Å; H37-H40 WeakPolarHBondContact O-CA 3.26Å; H37-H40 PolarHBondContact O-N 2.89Å; H37-L41 PolarHBondContact O-N 3.06Å |
| 38 | P | 85.9 | Confident | 89 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 59% | 0.591 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -50.5 | -37.6 | 178.5 | 16.3 | -32.5 | 0 | 0 | 0 | 113.7 | H40 L41 | P38-H40 PolarHBondContact O-N 2.9Å; P38-L41 WeakPolarHBondContact O-CB 3.44Å; P38-L41 PolarHBondContact O-N 3.42Å; P38-L41 VanDerWaalsContact O-N 3.17Å |
| 39 | D | 84.6 | Confident | 89.2 | Confident | 101 Ų | 101 | 73.1 Ų | 73.1 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -63.9 | -14.1 | 177.4 | -58.5 | -24.8 | 0 | 0 | 0 | 114.1 | F6 H37 | F6-D39 WeakPolarHBondContact CZ-O 3.41Å; H37-D39 IonicContact CE1-OD2 3.95Å; H37-D39 PolarHBondContact CE1-OD2 2.91Å; H37-D39 PolarHBondContact ND1-N 2.74Å; H37-D39 IonicContact ND1-OD2 3.61Å; H37-D39 PolarHBondContact ND1-OD2 3.28Å; H37-D39 VanDerWaalsContact ND1-OD2 3.13Å; H37-D39 PolarHBondContact O-N 3.48Å; H37-D39 VanDerWaalsContact O-N 3.12Å |
| 40 | H | 88.2 | Confident | 89.4 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 2% | 0.023 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -124.5 | 18.3 | 179.5 | -169.6 | -115.3 | 0 | 0 | 0 | 112.9 | I11 C22 C25 V27 F35 H37 P38 R42 C43 S44 | I11-H40 HydrophobicContact CD1-CB 3.33Å; I11-H40 HydrophobicContact CG1-CB 4.29Å; C22-H40 WeakPolarHBondContact CB-NE2 3.48Å; C22-H40 PolarHBondContact SG-NE2 3.1Å; C25-H40 PolarHBondContact SG-CD2 3.33Å; C25-H40 PolarHBondContact SG-NE2 2.69Å; V27-H40 WeakPolarHBondContact CG1-CD2 3.24Å; V27-H40 WeakPolarHBondContact CG1-NE2 3.12Å; F35-H40 AromaticContact CD2-CE1 3.6Å; F35-H40 AromaticContact CD2-ND1 3.86Å; F35-H40 AromaticContact CE2-CE1 3.47Å; F35-H40 VanDerWaalsContact CE2-CE1 3.47Å; F35-H40 WeakPolarHBondContact CE2-CE1 3.46Å; F35-H40 PolarHBondContact O-ND1 3.17Å; H37-H40 CarbonylContact O-C 3.56Å; H37-H40 WeakPolarHBondContact O-CA 3.26Å; H37-H40 PolarHBondContact O-N 2.89Å; P38-H40 PolarHBondContact O-N 2.9Å; H40-R42 VanDerWaalsContact C-N 3.32Å; H40-R42 PolarHBondContact O-N 3.46Å; H40-C43 WeakPolarHBondContact NE2-CB 3.49Å; H40-C43 PolarHBondContact O-N 3.31Å; H40-S44 PolarHBondContact O-N 3.09Å; H40-S44 PolarHBondContact O-OG 3.26Å |
| 41 | L | 89 | Confident | 89.6 | Confident | 94 Ų | 94 | 75.8 Ų | 75.8 | 49% | 0.492 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | -176.8 | -158.6 | 69.7 | 0 | 0 | 0 | 111.7 | H37 P38 C43 S44 E45 | H37-L41 PolarHBondContact O-N 3.06Å; P38-L41 WeakPolarHBondContact O-CB 3.44Å; P38-L41 PolarHBondContact O-N 3.42Å; P38-L41 VanDerWaalsContact O-N 3.17Å; L41-C43 PolarHBondContact O-N 2.95Å; L41-C43 VanDerWaalsContact O-N 3.11Å; L41-S44 WeakPolarHBondContact CA-OG 3.11Å; L41-S44 PolarHBondContact O-N 3.35Å; L41-S44 PolarHBondContact O-OG 2.87Å; L41-S44 VanDerWaalsContact O-OG 3.13Å; L41-E45 WeakPolarHBondContact O-CB 3.43Å; L41-E45 PolarHBondContact O-N 3.4Å |
| 42 | R | 89.2 | Confident | 89.8 | Confident | 191 Ų | 191 | 78 Ų | 78 | 72% | 0.721 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -55 | -35.7 | 179.9 | -171.9 | 177.5 | -179.1 | -178.8 | 3.6 | 114 | E4 H40 K46 | E4-R42 IonicContact OE2-NH1 3.28Å; E4-R42 PolarHBondContact OE2-NH1 3.38Å; H40-R42 VanDerWaalsContact C-N 3.32Å; H40-R42 PolarHBondContact O-N 3.46Å; R42-K46 WeakPolarHBondContact O-CB 3.34Å |
| 43 | C | 90.8 | Very high | 89.9 | Confident | 19 Ų | 19 | 79.3 Ų | 79.3 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -89.9 | -36.3 | -179.6 | -75.5 | 0 | 0 | 0 | 0 | 112.6 | R24 H40 L41 F47 | R24-C43 PolarHBondContact NH2-O 3.2Å; H40-C43 WeakPolarHBondContact NE2-CB 3.49Å; H40-C43 PolarHBondContact O-N 3.31Å; L41-C43 PolarHBondContact O-N 2.95Å; L41-C43 VanDerWaalsContact O-N 3.11Å; C43-F47 PolarHBondContact O-N 2.83Å |
| 44 | S | 92 | Very high | 90.1 | Very high | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.014 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.4 | -42.8 | 178.3 | 56 | 0 | 0 | 0 | 0 | 111.8 | F35 H40 L41 K46 F47 Y48 | F35-S44 VanDerWaalsContact O-CB 3.27Å; F35-S44 WeakPolarHBondContact O-CB 3.4Å; H40-S44 PolarHBondContact O-N 3.09Å; H40-S44 PolarHBondContact O-OG 3.26Å; L41-S44 WeakPolarHBondContact CA-OG 3.11Å; L41-S44 PolarHBondContact O-N 3.35Å; L41-S44 PolarHBondContact O-OG 2.87Å; L41-S44 VanDerWaalsContact O-OG 3.13Å; S44-K46 PolarHBondContact O-N 3.35Å; S44-F47 WeakPolarHBondContact O-CA 3.46Å; S44-F47 VanDerWaalsContact O-CB 3.26Å; S44-F47 WeakPolarHBondContact O-CB 3.41Å; S44-F47 PolarHBondContact O-N 2.91Å; S44-F47 VanDerWaalsContact O-N 3.1Å; S44-Y48 WeakPolarHBondContact O-CD2 3.45Å; S44-Y48 PolarHBondContact O-N 3.23Å |
| 45 | E | 92.4 | Very high | 90.2 | Very high | 125 Ų | 125 | 83.2 Ų | 83.2 | 58% | 0.584 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.2 | -48.4 | 173.8 | -174.7 | -178.4 | -161.7 | 0 | 0 | 111.3 | L41 F47 Y48 S49 | L41-E45 WeakPolarHBondContact O-CB 3.43Å; L41-E45 PolarHBondContact O-N 3.4Å; E45-F47 PolarHBondContact O-N 3.38Å; E45-Y48 PolarHBondContact O-N 2.94Å; E45-S49 VanDerWaalsContact O-CB 3.25Å; E45-S49 WeakPolarHBondContact O-CB 3.4Å; E45-S49 PolarHBondContact O-N 3.01Å |
| 46 | K | 91.9 | Very high | 90.3 | Very high | 125 Ų | 125 | 87 Ų | 87 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63 | -29.6 | 176.1 | -167.1 | 174.1 | -179.1 | 170.8 | 0 | 112.5 | R42 S44 N50 | R42-K46 WeakPolarHBondContact O-CB 3.34Å; S44-K46 PolarHBondContact O-N 3.35Å; K46-N50 WeakPolarHBondContact O-CB 3.47Å; K46-N50 PolarHBondContact O-N 3.17Å; K46-N50 PolarHBondContact O-ND2 2.98Å; K46-N50 PolarHBondContact O-OD1 2.8Å |
| 47 | F | 92.5 | Very high | 90.3 | Very high | 91 Ų | 91 | 87.5 Ų | 87.5 | 40% | 0.399 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.5 | -55.1 | 171.4 | -177.8 | -104.9 | 0 | 0 | 0 | 110.8 | R24 F35 C43 S44 E45 S49 N50 C51 | R24-F47 VanDerWaalsContact NH2-CA 3.25Å; F35-F47 HydrophobicContact CE1-CB 4.19Å; F35-F47 HydrophobicContact CE1-CD1 4.06Å; F35-F47 HydrophobicContact CE1-CG 4.29Å; F35-F47 HydrophobicContact CZ-CB 3.99Å; F35-F47 HydrophobicContact CZ-CD1 4.29Å; F35-F47 HydrophobicContact CZ-CG 4.1Å; C43-F47 PolarHBondContact O-N 2.83Å; S44-F47 WeakPolarHBondContact O-CA 3.46Å; S44-F47 VanDerWaalsContact O-CB 3.26Å; S44-F47 WeakPolarHBondContact O-CB 3.41Å; S44-F47 PolarHBondContact O-N 2.91Å; S44-F47 VanDerWaalsContact O-N 3.1Å; E45-F47 PolarHBondContact O-N 3.38Å; F47-S49 VanDerWaalsContact C-N 3.34Å; F47-S49 PolarHBondContact O-N 3.45Å; F47-N50 PolarHBondContact O-N 3.2Å; F47-C51 PolarHBondContact O-N 3Å; F47-C51 PolarHBondContact O-SG 3.18Å |
| 48 | Y | 92.6 | Very high | 90.1 | Very high | 71 Ų | 71 | 88 Ų | 88 | 28% | 0.278 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | -177.8 | -62.2 | -47.9 | 0 | 0 | 0 | 112.3 | F35 R36 S44 E45 N50 C51 V52 | F35-Y48 WeakPolarHBondContact CD1-OH 3.43Å; R36-Y48 HydrophobicContact CG-CE2 3.99Å; R36-Y48 WeakPolarHBondContact CG-OH 3.33Å; R36-Y48 PolarHBondContact NE-OH 3.46Å; S44-Y48 WeakPolarHBondContact O-CD2 3.45Å; S44-Y48 PolarHBondContact O-N 3.23Å; E45-Y48 PolarHBondContact O-N 2.94Å; Y48-N50 VanDerWaalsContact C-N 3.35Å; Y48-N50 PolarHBondContact O-N 3.39Å; Y48-C51 WeakPolarHBondContact O-CB 3.37Å; Y48-C51 PolarHBondContact O-N 2.82Å; Y48-C51 VanDerWaalsContact O-N 3.17Å; Y48-V52 WeakPolarHBondContact O-CG2 3.25Å; Y48-V52 PolarHBondContact O-N 3.49Å |
| 49 | S | 92.3 | Very high | 89.8 | Confident | 50 Ų | 50 | 88.1 Ų | 88.1 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.3 | -48.4 | 175 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | E45 F47 C51 V52 F53 | E45-S49 VanDerWaalsContact O-CB 3.25Å; E45-S49 WeakPolarHBondContact O-CB 3.4Å; E45-S49 PolarHBondContact O-N 3.01Å; F47-S49 VanDerWaalsContact C-N 3.34Å; F47-S49 PolarHBondContact O-N 3.45Å; S49-C51 PolarHBondContact O-N 2.64Å; S49-V52 PolarHBondContact O-N 2.99Å; S49-F53 WeakPolarHBondContact O-CD2 3.41Å; S49-F53 PolarHBondContact O-N 2.9Å; S49-F53 VanDerWaalsContact OG-CE2 3.28Å; S49-F53 WeakPolarHBondContact OG-CE2 3.23Å |
| 50 | N | 92.5 | Very high | 89.3 | Confident | 68 Ų | 68 | 88.7 Ų | 88.7 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 175.9 | -73.4 | -2.1 | 0 | 0 | 0 | 112.1 | K46 F47 Y48 V52 F53 D54 | K46-N50 WeakPolarHBondContact O-CB 3.47Å; K46-N50 PolarHBondContact O-N 3.17Å; K46-N50 PolarHBondContact O-ND2 2.98Å; K46-N50 PolarHBondContact O-OD1 2.8Å; F47-N50 PolarHBondContact O-N 3.2Å; Y48-N50 VanDerWaalsContact C-N 3.35Å; Y48-N50 PolarHBondContact O-N 3.39Å; N50-V52 VanDerWaalsContact C-N 3.3Å; N50-V52 PolarHBondContact O-N 2.74Å; N50-F53 PolarHBondContact O-N 2.87Å; N50-D54 WeakPolarHBondContact O-CB 3.37Å; N50-D54 PolarHBondContact O-N 3.35Å |
| 51 | C | 91.4 | Very high | 88 | Confident | 57 Ų | 57 | 96.1 Ų | 96.1 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 176.6 | -65 | 0 | 0 | 0 | 0 | 111.8 | F47 Y48 S49 D54 E55 | F47-C51 PolarHBondContact O-N 3Å; F47-C51 PolarHBondContact O-SG 3.18Å; Y48-C51 WeakPolarHBondContact O-CB 3.37Å; Y48-C51 PolarHBondContact O-N 2.82Å; Y48-C51 VanDerWaalsContact O-N 3.17Å; S49-C51 PolarHBondContact O-N 2.64Å; C51-D54 PolarHBondContact O-N 3.24Å; C51-E55 WeakPolarHBondContact O-CB 3.4Å; C51-E55 PolarHBondContact O-N 3.19Å |
| 52 | V | 91 | Very high | 86.4 | Confident | 87 Ų | 87 | 97.1 Ų | 97.1 | 53% | 0.527 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 176.1 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | Y48 S49 N50 D54 E55 L56 | Y48-V52 WeakPolarHBondContact O-CG2 3.25Å; Y48-V52 PolarHBondContact O-N 3.49Å; S49-V52 PolarHBondContact O-N 2.99Å; N50-V52 VanDerWaalsContact C-N 3.3Å; N50-V52 PolarHBondContact O-N 2.74Å; V52-D54 VanDerWaalsContact C-N 3.35Å; V52-D54 PolarHBondContact O-N 3.42Å; V52-E55 PolarHBondContact O-N 2.9Å; V52-L56 HydrophobicContact CG1-CD1 4.01Å; V52-L56 HydrophobicContact CG1-CG 4.38Å; V52-L56 WeakPolarHBondContact O-CB 3.25Å; V52-L56 VanDerWaalsContact O-CG 3.26Å; V52-L56 WeakPolarHBondContact O-CG 3.49Å; V52-L56 PolarHBondContact O-N 3.27Å |
| 53 | F | 91.1 | Very high | 84.6 | Confident | 114 Ų | 114 | 92.2 Ų | 92.2 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 177.9 | -80.9 | -62.7 | 0 | 0 | 0 | 113.1 | S49 N50 L56 K57 | S49-F53 WeakPolarHBondContact O-CD2 3.41Å; S49-F53 PolarHBondContact O-N 2.9Å; S49-F53 VanDerWaalsContact OG-CE2 3.28Å; S49-F53 WeakPolarHBondContact OG-CE2 3.23Å; N50-F53 PolarHBondContact O-N 2.87Å; F53-L56 PolarHBondContact O-N 3.06Å; F53-K57 VanDerWaalsContact O-CG 3.24Å; F53-K57 WeakPolarHBondContact O-CG 3.28Å; F53-K57 PolarHBondContact O-N 2.8Å |
| 54 | D | 91.5 | Very high | 82.6 | Confident | 92 Ų | 92 | 100.3 Ų | 100.3 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 178.9 | -68.3 | -21.2 | 0 | 0 | 0 | 110.7 | N50 C51 V52 K57 S58 | N50-D54 WeakPolarHBondContact O-CB 3.37Å; N50-D54 PolarHBondContact O-N 3.35Å; C51-D54 PolarHBondContact O-N 3.24Å; V52-D54 VanDerWaalsContact C-N 3.35Å; V52-D54 PolarHBondContact O-N 3.42Å; D54-K57 PolarHBondContact O-N 3.06Å; D54-K57 IonicContact OD1-NZ 3.24Å; D54-S58 PolarHBondContact O-N 2.86Å |
| 55 | E | 91.1 | Very high | 80.7 | Confident | 129 Ų | 129 | 103.9 Ų | 103.9 | 60% | 0.603 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.1 | -46.8 | 171.8 | -164.4 | 66.2 | -165.3 | 0 | 0 | 110.9 | C51 V52 K57 S58 L59 | C51-E55 WeakPolarHBondContact O-CB 3.4Å; C51-E55 PolarHBondContact O-N 3.19Å; V52-E55 PolarHBondContact O-N 2.9Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.21Å; E55-S58 PolarHBondContact O-N 2.89Å; E55-S58 VanDerWaalsContact O-N 3.1Å; E55-S58 PolarHBondContact O-OG 3.45Å; E55-L59 PolarHBondContact O-N 3.45Å; E55-L59 VanDerWaalsContact O-N 3.17Å |
| 56 | L | 90 | Very high | 78.4 | Confident | 100 Ų | 100 | 103 Ų | 103 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62 | -32.8 | 177.5 | -74.8 | 176.2 | 0 | 0 | 0 | 113.6 | V52 F53 L59 | V52-L56 HydrophobicContact CG1-CD1 4.01Å; V52-L56 HydrophobicContact CG1-CG 4.38Å; V52-L56 WeakPolarHBondContact O-CB 3.25Å; V52-L56 VanDerWaalsContact O-CG 3.26Å; V52-L56 WeakPolarHBondContact O-CG 3.49Å; V52-L56 PolarHBondContact O-N 3.27Å; F53-L56 PolarHBondContact O-N 3.06Å; L56-L59 HydrophobicContact CD2-CD1 3.85Å; L56-L59 WeakPolarHBondContact O-CB 3.41Å |
| 57 | K | 87.8 | Confident | 76.4 | Confident | 154 Ų | 154 | 103.9 Ų | 103.9 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.7 | -27.7 | 174.7 | -72.7 | 168.3 | -169.3 | 164.7 | 0 | 112.9 | F53 D54 E55 L59 | F53-K57 VanDerWaalsContact O-CG 3.24Å; F53-K57 WeakPolarHBondContact O-CG 3.28Å; F53-K57 PolarHBondContact O-N 2.8Å; D54-K57 PolarHBondContact O-N 3.06Å; D54-K57 IonicContact OD1-NZ 3.24Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.21Å; K57-L59 VanDerWaalsContact C-N 3.26Å |
| 58 | S | 83.5 | Confident | 74.8 | Confident | 81 Ų | 81 | 108.1 Ų | 108.1 | 57% | 0.566 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.9 | -20.7 | 176.4 | 79.3 | 0 | 0 | 0 | 0 | 112.2 | D54 E55 | D54-S58 PolarHBondContact O-N 2.86Å; E55-S58 PolarHBondContact O-N 2.89Å; E55-S58 VanDerWaalsContact O-N 3.1Å; E55-S58 PolarHBondContact O-OG 3.45Å |
| 59 | L | 79.7 | Confident | 72.8 | Confident | 95 Ų | 95 | 112.4 Ų | 112.4 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -60.8 | 136.3 | 167.2 | -65.8 | 170.5 | 0 | 0 | 0 | 108.8 | E55 L56 K57 E61 | E55-L59 PolarHBondContact O-N 3.45Å; E55-L59 VanDerWaalsContact O-N 3.17Å; L56-L59 HydrophobicContact CD2-CD1 3.85Å; L56-L59 WeakPolarHBondContact O-CB 3.41Å; K57-L59 VanDerWaalsContact C-N 3.26Å; L59-E61 PolarHBondContact O-N 3.28Å |
| 60 | P | 74.5 | Confident | 71.3 | Confident | 112 Ų | 112 | 117.4 Ų | 117.4 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 131.2 | 174.2 | 23.9 | -32.1 | 0 | 0 | 0 | 108.7 | ||
| 61 | E | 62.1 | Low | 69.6 | Low | 162 Ų | 162 | 117.3 Ų | 117.3 | 76% | 0.757 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 144.3 | 170.6 | -66.4 | -166 | 156.6 | 0 | 0 | 108.8 | L59 S63 | L59-E61 PolarHBondContact O-N 3.28Å; E61-S63 PolarHBondContact O-N 3.44Å; E61-S63 PolarHBondContact O-OG 2.8Å |
| 62 | P | 55.1 | Low | 68.1 | Low | 115 Ų | 115 | 118.8 Ų | 118.8 | 75% | 0.747 | 63% | 0.632 | S | S | * | * | trans | -68.5 | 61.4 | 173.8 | 30.7 | -35.6 | 0 | 0 | 0 | 110.4 | K64 V65 | P62-K64 VanDerWaalsContact C-N 3.34Å; P62-K64 PolarHBondContact O-N 3.44Å; P62-K64 VanDerWaalsContact O-N 3.16Å; P62-V65 HydrophobicContact CB-CG2 4.34Å | ||
| 63 | S | 50.4 | Low | 66.7 | Low | 87 Ų | 87 | 117.3 Ų | 117.3 | 61% | 0.608 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -81.3 | 85.9 | 169.1 | 52.2 | 0 | 0 | 0 | 0 | 106.1 | E61 V65 | E61-S63 PolarHBondContact O-N 3.44Å; E61-S63 PolarHBondContact O-OG 2.8Å; S63-V65 PolarHBondContact O-N 2.94Å |
| 64 | K | 49.5 | Very low | 65.2 | Low | 190 Ų | 190 | 114.8 Ų | 114.8 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | trans | 56.7 | 54.5 | 170.8 | -52.6 | 177.7 | -177.7 | 179.2 | 0 | 113.8 | P62 T66 | P62-K64 VanDerWaalsContact C-N 3.34Å; P62-K64 PolarHBondContact O-N 3.44Å; P62-K64 VanDerWaalsContact O-N 3.16Å; K64-T66 PolarHBondContact O-N 3.17Å | ||
| 65 | V | 51.7 | Low | 63.8 | Low | 76 Ų | 76 | 113 Ų | 113 | 46% | 0.461 | 62% | 0.616 | S | S | . | * | trans | -77.4 | 81 | 161.2 | -76.2 | 0 | 0 | 0 | 0 | 108.5 | P62 S63 N67 Y68 | P62-V65 HydrophobicContact CB-CG2 4.34Å; S63-V65 PolarHBondContact O-N 2.94Å; V65-N67 PolarHBondContact O-N 3.21Å; V65-Y68 HydrophobicContact CB-CD2 3.94Å; V65-Y68 HydrophobicContact CB-CE2 3.61Å; V65-Y68 HydrophobicContact CG1-CD2 4.1Å; V65-Y68 HydrophobicContact CG1-CE2 3.29Å | ||
| 66 | T | 44 | Very low | 62.3 | Low | 108 Ų | 108 | 112 Ų | 112 | 66% | 0.663 | 61% | 0.614 | S | S | * | * | trans | -67.3 | 119.3 | 157.4 | 55.1 | 0 | 0 | 0 | 0 | 107 | K64 | K64-T66 PolarHBondContact O-N 3.17Š| ||
| 67 | N | 49.4 | Very low | 61 | Low | 143 Ų | 143 | 116.4 Ų | 116.4 | 77% | 0.765 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 76.5 | 56.6 | 167.1 | -44.5 | -34.2 | 0 | 0 | 0 | 117 | V65 | V65-N67 PolarHBondContact O-N 3.21Š|
| 68 | Y | 58.9 | Low | 59.8 | Low | 179 Ų | 179 | 115 Ų | 115 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | trans | -120.4 | 118.1 | 131.8 | -28.9 | -63.3 | 0 | 0 | 0 | 104.4 | V65 L70 | V65-Y68 HydrophobicContact CB-CD2 3.94Å; V65-Y68 HydrophobicContact CB-CE2 3.61Å; V65-Y68 HydrophobicContact CG1-CD2 4.1Å; V65-Y68 HydrophobicContact CG1-CE2 3.29Å; Y68-L70 PolarHBondContact O-N 3.26Å | ||
| 69 | D | 52.4 | Low | 58.5 | Low | 162 Ų | 162 | 117.1 Ų | 117.1 | 87% | 0.866 | 62% | 0.623 | S | S | * | * | trans | -60.8 | 89 | 176.8 | -69.4 | -51 | 0 | 0 | 0 | 108.4 | P71 | D69-P71 VanDerWaalsContact O-CD 3.3Å; D69-P71 WeakPolarHBondContact O-CD 3.43Å | ||
| 70 | L | 60.8 | Low | 57.3 | Low | 154 Ų | 154 | 115 Ų | 115 | 81% | 0.806 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 118.3 | 166.8 | -164.4 | 74.8 | 0 | 0 | 0 | 104.9 | Y68 T72 | Y68-L70 PolarHBondContact O-N 3.26Å; L70-T72 PolarHBondContact O-N 3.36Å |
| 71 | P | 56.8 | Low | 56.4 | Low | 67 Ų | 67 | 114.6 Ų | 114.6 | 44% | 0.435 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 120.3 | -177.4 | -24.7 | 33.4 | 0 | 0 | 0 | 108.6 | D69 D75 L76 | D69-P71 VanDerWaalsContact O-CD 3.3Å; D69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-D75 HydrophobicContact CB-CB 4.04Å; P71-L76 HydrophobicContact CB-CD1 4.27Å; P71-L76 HydrophobicContact CB-CG 4.07Å |
| 72 | T | 59.8 | Low | 56.2 | Low | 87 Ų | 87 | 110.9 Ų | 110.9 | 53% | 0.534 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -57 | 155.7 | 171.4 | -46.7 | 0 | 0 | 0 | 0 | 107.3 | L70 S74 D75 L76 | L70-T72 PolarHBondContact O-N 3.36Å; T72-S74 PolarHBondContact O-N 3.46Å; T72-D75 WeakPolarHBondContact CB-OD2 3.42Å; T72-D75 PolarHBondContact N-OD2 2.84Å; T72-D75 VanDerWaalsContact N-OD2 3.14Å; T72-D75 WeakPolarHBondContact O-CA 3.25Å; T72-D75 PolarHBondContact O-N 3.23Å; T72-D75 PolarHBondContact OG1-OD2 3.38Å; T72-L76 PolarHBondContact O-N 3.12Å |
| 73 | A | 61.7 | Low | 56.3 | Low | 56 Ų | 56 | 111 Ų | 111 | 46% | 0.463 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -48.9 | -33.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | W77 | A73-W77 WeakPolarHBondContact O-CB 3.5Å; A73-W77 PolarHBondContact O-N 2.65Å |
| 74 | S | 59.6 | Low | 56.6 | Low | 62 Ų | 62 | 113.6 Ų | 113.6 | 43% | 0.434 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.6 | -32.6 | 171.4 | -176 | 0 | 0 | 0 | 0 | 115.3 | T72 K78 | T72-S74 PolarHBondContact O-N 3.46Å; S74-K78 WeakPolarHBondContact O-CG 3.31Å; S74-K78 PolarHBondContact O-N 3.19Å |
| 75 | D | 62.2 | Low | 57.1 | Low | 54 Ų | 54 | 109.8 Ų | 109.8 | 29% | 0.289 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -83.8 | -34.9 | 178.7 | -58.2 | -48.6 | 0 | 0 | 0 | 111 | P71 T72 W77 K78 D79 | P71-D75 HydrophobicContact CB-CB 4.04Å; T72-D75 WeakPolarHBondContact CB-OD2 3.42Å; T72-D75 PolarHBondContact N-OD2 2.84Å; T72-D75 VanDerWaalsContact N-OD2 3.14Å; T72-D75 WeakPolarHBondContact O-CA 3.25Å; T72-D75 PolarHBondContact O-N 3.23Å; T72-D75 PolarHBondContact OG1-OD2 3.38Å; D75-W77 PolarHBondContact O-N 3.01Å; D75-K78 PolarHBondContact O-N 3.09Å; D75-K78 IonicContact OD1-NZ 2.87Å; D75-K78 PolarHBondContact OD1-NZ 3.49Å; D75-D79 PolarHBondContact O-N 2.91Å |
| 76 | L | 58.9 | Low | 57.5 | Low | 107 Ų | 107 | 109.7 Ų | 109.7 | 56% | 0.56 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.4 | -35.5 | 165.6 | -93.3 | 148.1 | 0 | 0 | 0 | 112.2 | P71 T72 A80 | P71-L76 HydrophobicContact CB-CD1 4.27Å; P71-L76 HydrophobicContact CB-CG 4.07Å; T72-L76 PolarHBondContact O-N 3.12Å; L76-A80 WeakPolarHBondContact O-CB 3.24Å; L76-A80 PolarHBondContact O-N 3.49Å |
| 77 | W | 63.2 | Low | 58.6 | Low | 193 Ų | 193 | 109 Ų | 109 | 73% | 0.731 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.5 | -23.2 | 177.4 | -62.9 | -9.5 | 0 | 0 | 0 | 113.7 | A73 D75 S81 | A73-W77 WeakPolarHBondContact O-CB 3.5Å; A73-W77 PolarHBondContact O-N 2.65Å; D75-W77 PolarHBondContact O-N 3.01Å; W77-S81 PolarHBondContact O-N 2.91Å |
| 78 | K | 61.1 | Low | 59.6 | Low | 124 Ų | 124 | 110 Ų | 110 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.7 | -41.1 | 172 | -76.1 | 171.4 | -167.2 | 154.9 | 0 | 111.2 | S74 D75 S81 | S74-K78 WeakPolarHBondContact O-CG 3.31Å; S74-K78 PolarHBondContact O-N 3.19Å; D75-K78 PolarHBondContact O-N 3.09Å; D75-K78 IonicContact OD1-NZ 2.87Å; D75-K78 PolarHBondContact OD1-NZ 3.49Å; K78-S81 WeakPolarHBondContact O-CB 3.39Å; K78-S81 PolarHBondContact O-N 3.26Å; K78-S81 PolarHBondContact O-OG 3.12Å |
| 79 | D | 57.1 | Low | 60.3 | Low | 126 Ų | 126 | 110 Ų | 110 | 67% | 0.674 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.6 | -23.6 | 176.8 | -67.6 | -15.4 | 0 | 0 | 0 | 112.5 | D75 S81 A82 | D75-D79 PolarHBondContact O-N 2.91Å; D79-S81 PolarHBondContact O-N 3.42Å; D79-A82 WeakPolarHBondContact O-CB 3.5Å; D79-A82 PolarHBondContact O-N 2.98Å |
| 80 | A | 55.3 | Low | 61.6 | Low | 50 Ų | 50 | 106.6 Ų | 106.6 | 41% | 0.413 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.8 | -19.2 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | L76 A82 V83 | L76-A80 WeakPolarHBondContact O-CB 3.24Å; L76-A80 PolarHBondContact O-N 3.49Å; A80-A82 PolarHBondContact O-N 3.02Å; A80-V83 WeakPolarHBondContact O-CB 3.43Å; A80-V83 PolarHBondContact O-N 3.07Å |
| 81 | S | 55.6 | Low | 62.2 | Low | 104 Ų | 104 | 103.6 Ų | 103.6 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -15 | 169.6 | 74.8 | 0 | 0 | 0 | 0 | 113.2 | W77 K78 D79 | W77-S81 PolarHBondContact O-N 2.91Å; K78-S81 WeakPolarHBondContact O-CB 3.39Å; K78-S81 PolarHBondContact O-N 3.26Å; K78-S81 PolarHBondContact O-OG 3.12Å; D79-S81 PolarHBondContact O-N 3.42Å |
| 82 | A | 56.9 | Low | 63.1 | Low | 85 Ų | 85 | 105 Ų | 105 | 70% | 0.702 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D79 A80 D84 | D79-A82 WeakPolarHBondContact O-CB 3.5Å; D79-A82 PolarHBondContact O-N 2.98Å; A80-A82 PolarHBondContact O-N 3.02Å; A82-D84 VanDerWaalsContact C-N 3.28Å; A82-D84 PolarHBondContact O-N 2.85Å; A82-D84 VanDerWaalsContact O-N 3.11Å |
| 83 | V | 56.7 | Low | 64.1 | Low | 118 Ų | 118 | 107.7 Ų | 107.7 | 72% | 0.715 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -79.2 | 91.9 | 160.5 | -177.1 | 0 | 0 | 0 | 0 | 106.3 | A80 V85 | A80-V83 WeakPolarHBondContact O-CB 3.43Å; A80-V83 PolarHBondContact O-N 3.07Å; V83-V85 PolarHBondContact O-N 3.43Å; V83-V85 VanDerWaalsContact O-N 3.11Å |
| 84 | D | 57.4 | Low | 65 | Low | 140 Ų | 140 | 110 Ų | 110 | 75% | 0.749 | 58% | 0.575 | S | S | * | * | trans | -46 | 111.4 | 179.7 | -159.3 | 16.1 | 0 | 0 | 0 | 111.5 | A82 L86 | A82-D84 VanDerWaalsContact C-N 3.28Å; A82-D84 PolarHBondContact O-N 2.85Å; A82-D84 VanDerWaalsContact O-N 3.11Å; D84-L86 PolarHBondContact O-N 2.82Å | ||
| 85 | V | 59.5 | Low | 65.6 | Low | 110 Ų | 110 | 110.4 Ų | 110.4 | 67% | 0.667 | 57% | 0.572 | S | S | * | * | trans | 21.9 | 85.1 | 142.6 | -166.7 | 0 | 0 | 0 | 0 | 113.7 | V83 E87 | V83-V85 PolarHBondContact O-N 3.43Å; V83-V85 VanDerWaalsContact O-N 3.11Å; V85-E87 PolarHBondContact O-N 2.94Å; V85-E87 VanDerWaalsContact O-N 3.09Å | ||
| 86 | L | 59.6 | Low | 66.4 | Low | 74 Ų | 74 | 111 Ų | 111 | 39% | 0.387 | 59% | 0.585 | S | S | . | * | trans | -60.1 | 116.1 | 148.2 | -162 | 75.3 | 0 | 0 | 0 | 105.1 | D84 E88 Q90 L91 M94 | D84-L86 PolarHBondContact O-N 2.82Å; L86-E88 PolarHBondContact O-N 3.3Å; L86-Q90 HydrophobicContact CD1-CB 3.7Å; L86-Q90 HydrophobicContact CD1-CG 4.33Å; L86-Q90 HydrophobicContact CD2-CB 3.9Å; L86-Q90 HydrophobicContact CG-CB 3.46Å; L86-Q90 VanDerWaalsContact CG-CB 3.46Å; L86-L91 HydrophobicContact CD2-CB 4.06Å; L86-L91 HydrophobicContact CD2-CD1 3.61Å; L86-L91 HydrophobicContact CD2-CG 4.45Å; L86-M94 HydrophobicContact CD2-SD 3.68Å | ||
| 87 | E | 68.7 | Low | 67.2 | Low | 93 Ų | 93 | 110.7 Ų | 110.7 | 44% | 0.435 | 59% | 0.591 | S | S | . | * | trans | -51.1 | 139.5 | 178.2 | -71.5 | -175 | 173.1 | 0 | 0 | 108 | V85 R89 Q90 L91 | V85-E87 PolarHBondContact O-N 2.94Å; V85-E87 VanDerWaalsContact O-N 3.09Å; E87-R89 CarbonylContact O-C 3.56Å; E87-R89 PolarHBondContact O-N 3.22Å; E87-R89 IonicContact OE1-NH2 2.64Å; E87-R89 IonicContact OE2-CZ 3.14Å; E87-R89 VanDerWaalsContact OE2-CZ 3.28Å; E87-R89 IonicContact OE2-NE 3.29Å; E87-R89 PolarHBondContact OE2-NE 3.25Å; E87-R89 IonicContact OE2-NH2 3.13Å; E87-R89 PolarHBondContact OE2-NH2 2.94Å; E87-Q90 WeakPolarHBondContact O-CA 3.49Å; E87-Q90 WeakPolarHBondContact O-CB 3.04Å; E87-Q90 PolarHBondContact O-N 2.89Å; E87-L91 PolarHBondContact O-N 3.48Å | ||
| 88 | E | 70.5 | Confident | 67.4 | Low | 165 Ų | 165 | 107.6 Ų | 107.6 | 77% | 0.771 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -47.5 | -35.8 | -177.9 | -66.3 | 177.4 | 162.3 | 0 | 0 | 111.6 | L86 Q90 L91 D92 | L86-E88 PolarHBondContact O-N 3.3Å; E88-Q90 PolarHBondContact O-N 3.38Å; E88-L91 WeakPolarHBondContact O-CB 3.17Å; E88-L91 PolarHBondContact O-N 2.79Å; E88-D92 VanDerWaalsContact O-CG 3.28Å; E88-D92 PolarHBondContact O-N 3.21Å |
| 89 | R | 73 | Confident | 67.7 | Low | 178 Ų | 178 | 103.8 Ų | 103.8 | 67% | 0.672 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.3 | -39.9 | 174.4 | -57.7 | -172.1 | -62.2 | 141.9 | -6.3 | 114.8 | E87 E93 | E87-R89 CarbonylContact O-C 3.56Å; E87-R89 PolarHBondContact O-N 3.22Å; E87-R89 IonicContact OE1-NH2 2.64Å; E87-R89 IonicContact OE2-CZ 3.14Å; E87-R89 VanDerWaalsContact OE2-CZ 3.28Å; E87-R89 IonicContact OE2-NE 3.29Å; E87-R89 PolarHBondContact OE2-NE 3.25Å; E87-R89 IonicContact OE2-NH2 3.13Å; E87-R89 PolarHBondContact OE2-NH2 2.94Å; R89-E93 WeakPolarHBondContact O-CB 3.27Å; R89-E93 PolarHBondContact O-N 3.18Å |
| 90 | Q | 78.7 | Confident | 68.2 | Low | 91 Ų | 91 | 100.5 Ų | 100.5 | 43% | 0.425 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.2 | -32.8 | 177.3 | -81.4 | -178.4 | -37.4 | 0 | 0 | 111.1 | L86 E87 E88 E93 M94 | L86-Q90 HydrophobicContact CD1-CB 3.7Å; L86-Q90 HydrophobicContact CD1-CG 4.33Å; L86-Q90 HydrophobicContact CD2-CB 3.9Å; L86-Q90 HydrophobicContact CG-CB 3.46Å; L86-Q90 VanDerWaalsContact CG-CB 3.46Å; E87-Q90 WeakPolarHBondContact O-CA 3.49Å; E87-Q90 WeakPolarHBondContact O-CB 3.04Å; E87-Q90 PolarHBondContact O-N 2.89Å; E88-Q90 PolarHBondContact O-N 3.38Å; Q90-E93 PolarHBondContact O-N 3.1Å; Q90-M94 WeakPolarHBondContact O-CB 3.34Å; Q90-M94 WeakPolarHBondContact O-CG 3.21Å; Q90-M94 PolarHBondContact O-N 3.06Å |
| 91 | L | 74 | Confident | 68.6 | Low | 92 Ų | 92 | 101.4 Ų | 101.4 | 48% | 0.482 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -43.2 | 173.3 | -154.3 | 76.8 | 0 | 0 | 0 | 110.5 | L86 E87 E88 M94 L95 | L86-L91 HydrophobicContact CD2-CB 4.06Å; L86-L91 HydrophobicContact CD2-CD1 3.61Å; L86-L91 HydrophobicContact CD2-CG 4.45Å; E87-L91 PolarHBondContact O-N 3.48Å; E88-L91 WeakPolarHBondContact O-CB 3.17Å; E88-L91 PolarHBondContact O-N 2.79Å; L91-M94 PolarHBondContact O-N 3.13Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 WeakPolarHBondContact O-CG 3.16Å; L91-L95 PolarHBondContact O-N 2.95Å |
| 92 | D | 76.4 | Confident | 68.8 | Low | 97 Ų | 97 | 101.3 Ų | 101.3 | 52% | 0.519 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.5 | -43.1 | 174.4 | -69.3 | -23.2 | 0 | 0 | 0 | 111.9 | E88 L95 A96 | E88-D92 VanDerWaalsContact O-CG 3.28Å; E88-D92 PolarHBondContact O-N 3.21Å; D92-L95 PolarHBondContact O-N 3.03Å; D92-A96 VanDerWaalsContact O-CB 3.25Å; D92-A96 WeakPolarHBondContact O-CB 3.26Å; D92-A96 PolarHBondContact O-N 3.38Å |
| 93 | E | 80.2 | Confident | 69 | Low | 142 Ų | 142 | 103.8 Ų | 103.8 | 66% | 0.664 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.5 | -41.7 | 177.2 | -173.3 | 171.8 | -164.3 | 0 | 0 | 111.8 | R89 Q90 A96 S97 | R89-E93 WeakPolarHBondContact O-CB 3.27Å; R89-E93 PolarHBondContact O-N 3.18Å; Q90-E93 PolarHBondContact O-N 3.1Å; E93-A96 PolarHBondContact O-N 3.02Å; E93-S97 WeakPolarHBondContact O-CB 3.47Å; E93-S97 PolarHBondContact O-N 3.34Å |
| 94 | M | 79.8 | Confident | 69.3 | Low | 104 Ų | 104 | 101.7 Ų | 101.7 | 51% | 0.512 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.3 | -45.7 | 174.2 | -76.5 | -175.8 | 60.9 | 0 | 0 | 111.9 | L86 Q90 L91 A96 S97 L98 | L86-M94 HydrophobicContact CD2-SD 3.68Å; Q90-M94 WeakPolarHBondContact O-CB 3.34Å; Q90-M94 WeakPolarHBondContact O-CG 3.21Å; Q90-M94 PolarHBondContact O-N 3.06Å; L91-M94 PolarHBondContact O-N 3.13Å; M94-A96 VanDerWaalsContact C-N 3.35Å; M94-A96 PolarHBondContact O-N 2.97Å; M94-S97 PolarHBondContact O-N 2.68Å; M94-S97 PolarHBondContact O-OG 2.9Å; M94-L98 PolarHBondContact O-N 3.44Å; M94-L98 VanDerWaalsContact O-N 3.09Å |
| 95 | L | 73.2 | Confident | 69.6 | Low | 72 Ų | 72 | 100.2 Ų | 100.2 | 38% | 0.377 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62 | -43 | 177 | -76.5 | 169.3 | 0 | 0 | 0 | 111.6 | L91 D92 S97 L98 G99 V100 | L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 WeakPolarHBondContact O-CG 3.16Å; L91-L95 PolarHBondContact O-N 2.95Å; D92-L95 PolarHBondContact O-N 3.03Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-S97 PolarHBondContact O-N 3.38Å; L95-L98 CarbonylContact O-C 3.59Å; L95-L98 WeakPolarHBondContact O-CB 3.33Å; L95-L98 PolarHBondContact O-N 3.07Å; L95-L98 VanDerWaalsContact O-N 3.12Å; L95-G99 PolarHBondContact O-N 2.92Å; L95-V100 CarbonylContact C-O 3.49Å; L95-V100 HydrophobicContact CB-CB 4.48Å; L95-V100 HydrophobicContact CD2-CB 4.17Å; L95-V100 HydrophobicContact CD2-CG1 4.22Å; L95-V100 PolarHBondContact O-N 3.42Å |
| 96 | A | 78.9 | Confident | 69.9 | Low | 67 Ų | 67 | 100.4 Ų | 100.4 | 55% | 0.554 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.7 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D92 E93 M94 L98 G99 | D92-A96 VanDerWaalsContact O-CB 3.25Å; D92-A96 WeakPolarHBondContact O-CB 3.26Å; D92-A96 PolarHBondContact O-N 3.38Å; E93-A96 PolarHBondContact O-N 3.02Å; M94-A96 VanDerWaalsContact C-N 3.35Å; M94-A96 PolarHBondContact O-N 2.97Å; A96-L98 PolarHBondContact O-N 2.87Å; A96-G99 PolarHBondContact O-N 3.39Å |
| 97 | S | 75.5 | Confident | 70.3 | Confident | 99 Ų | 99 | 100.7 Ų | 100.7 | 69% | 0.692 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.2 | -27.2 | 176.2 | 79.2 | 0 | 0 | 0 | 0 | 113.5 | E93 M94 L95 G99 | E93-S97 WeakPolarHBondContact O-CB 3.47Å; E93-S97 PolarHBondContact O-N 3.34Å; M94-S97 PolarHBondContact O-N 2.68Å; M94-S97 PolarHBondContact O-OG 2.9Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-S97 PolarHBondContact O-N 3.38Å; S97-G99 VanDerWaalsContact C-N 3.29Å |
| 98 | L | 68.5 | Low | 70.5 | Confident | 129 Ų | 129 | 103 Ų | 103 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -0 | 173.8 | -83.4 | 147 | 0 | 0 | 0 | 112.9 | M94 L95 A96 V100 | M94-L98 PolarHBondContact O-N 3.44Å; M94-L98 VanDerWaalsContact O-N 3.09Å; L95-L98 CarbonylContact O-C 3.59Å; L95-L98 WeakPolarHBondContact O-CB 3.33Å; L95-L98 PolarHBondContact O-N 3.07Å; L95-L98 VanDerWaalsContact O-N 3.12Å; A96-L98 PolarHBondContact O-N 2.87Å; L98-V100 VanDerWaalsContact C-N 3.29Å; L98-V100 HydrophobicContact CB-CG2 4.29Å |
| 99 | G | 66.8 | Low | 70.4 | Confident | 44 Ų | 44 | 99.8 Ų | 99.8 | 45% | 0.454 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 19.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L95 A96 S97 | L95-G99 PolarHBondContact O-N 2.92Å; A96-G99 PolarHBondContact O-N 3.39Å; S97-G99 VanDerWaalsContact C-N 3.29Å |
| 100 | V | 66.2 | Low | 70.2 | Confident | 56 Ų | 56 | 93.7 Ų | 93.7 | 34% | 0.339 | 52% | 0.524 | S | S | . | . | trans | -102.8 | 98 | 177.6 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | L95 L98 | L95-V100 CarbonylContact C-O 3.49Å; L95-V100 HydrophobicContact CB-CB 4.48Å; L95-V100 HydrophobicContact CD2-CB 4.17Å; L95-V100 HydrophobicContact CD2-CG1 4.22Å; L95-V100 PolarHBondContact O-N 3.42Å; L98-V100 VanDerWaalsContact C-N 3.29Å; L98-V100 HydrophobicContact CB-CG2 4.29Å | ||
| 101 | N | 64 | Low | 70.2 | Confident | 70 Ų | 70 | 93 Ų | 93 | 37% | 0.374 | 53% | 0.526 | S | S | . | . | trans | -86.2 | 137.2 | 169.6 | 178.3 | 6.2 | 0 | 0 | 0 | 108.9 | N103 D104 | N101-N103 PolarHBondContact O-N 3.47Å; N101-N103 PolarHBondContact OD1-N 3.42Å; N101-N103 PolarHBondContact OD1-ND2 3.18Å; N101-N103 VanDerWaalsContact OD1-ND2 3.12Å; N101-D104 HydrophobicContact CB-CB 4.03Å; N101-D104 VanDerWaalsContact CB-CG 3.4Å; N101-D104 VanDerWaalsContact CB-OD2 3.26Å; N101-D104 WeakPolarHBondContact CB-OD2 3.49Å; N101-D104 PolarHBondContact ND2-OD1 3Å; N101-D104 PolarHBondContact O-N 2.88Å | ||
| 102 | A | 61.3 | Low | 70.4 | Confident | 102 Ų | 102 | 91.2 Ų | 91.2 | 84% | 0.843 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -14.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 103 | N | 59.5 | Low | 70.6 | Confident | 137 Ų | 137 | 94.1 Ų | 94.1 | 73% | 0.733 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -7.4 | 176.8 | -56.8 | -78 | 0 | 0 | 0 | 113.7 | N101 | N101-N103 PolarHBondContact O-N 3.47Å; N101-N103 PolarHBondContact OD1-N 3.42Å; N101-N103 PolarHBondContact OD1-ND2 3.18Å; N101-N103 VanDerWaalsContact OD1-ND2 3.12Å |
| 104 | D | 62.9 | Low | 70.7 | Confident | 73 Ų | 73 | 91.6 Ų | 91.6 | 39% | 0.39 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -84.7 | 123.1 | -179.3 | -69.2 | -3.3 | 0 | 0 | 0 | 108.1 | N101 L106 | N101-D104 HydrophobicContact CB-CB 4.03Å; N101-D104 VanDerWaalsContact CB-CG 3.4Å; N101-D104 VanDerWaalsContact CB-OD2 3.26Å; N101-D104 WeakPolarHBondContact CB-OD2 3.49Å; N101-D104 PolarHBondContact ND2-OD1 3Å; N101-D104 PolarHBondContact O-N 2.88Å; D104-L106 VanDerWaalsContact C-N 3.32Å; D104-L106 PolarHBondContact O-N 3.14Å |
| 105 | D | 64.5 | Low | 70.9 | Confident | 109 Ų | 109 | 89.5 Ų | 89.5 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | trans | -58.4 | 103.5 | 163.6 | -80.1 | -38.5 | 0 | 0 | 0 | 106.3 | F107 E108 | D105-F107 CarbonylContact O-C 3.6Å; D105-F107 PolarHBondContact O-N 3.31Å; D105-E108 HydrophobicContact CB-CB 4.32Å; D105-E108 HydrophobicContact CB-CG 3.87Å; D105-E108 WeakPolarHBondContact O-CA 3.26Å; D105-E108 WeakPolarHBondContact O-CB 3.44Å; D105-E108 PolarHBondContact O-N 3.36Å | ||
| 106 | L | 65.8 | Low | 71.3 | Confident | 114 Ų | 114 | 92.9 Ų | 92.9 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -24.8 | 177.3 | -163.3 | 77.6 | 0 | 0 | 0 | 111.3 | D104 L109 | D104-L106 VanDerWaalsContact C-N 3.32Å; D104-L106 PolarHBondContact O-N 3.14Å; L106-L109 HydrophobicContact CD1-CD1 4.19Å |
| 107 | F | 68.3 | Low | 71.6 | Confident | 81 Ų | 81 | 96.2 Ų | 96.2 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -37.1 | 171.6 | -161.1 | -106.6 | 0 | 0 | 0 | 113.1 | D105 L110 K115 F118 L119 | D105-F107 CarbonylContact O-C 3.6Å; D105-F107 PolarHBondContact O-N 3.31Å; F107-L110 HydrophobicContact CD2-CD1 4.17Å; F107-L110 HydrophobicContact CE2-CD1 4.49Å; F107-L110 PolarHBondContact O-N 3.29Å; F107-K115 HydrophobicContact CE1-CD 4.31Å; F107-K115 HydrophobicContact CE1-CG 4.21Å; F107-K115 HydrophobicContact CE2-CG 4.48Å; F107-K115 HydrophobicContact CZ-CB 4.21Å; F107-K115 HydrophobicContact CZ-CG 4.1Å; F107-K115 WeakPolarHBondContact O-CE 3.39Å; F107-F118 HydrophobicContact CD2-CD1 4.04Å; F107-F118 HydrophobicContact CD2-CE1 4.1Å; F107-F118 AromaticContact CE2-CD1 3.44Å; F107-F118 HydrophobicContact CE2-CD1 3.44Å; F107-F118 VanDerWaalsContact CE2-CD1 3.44Å; F107-F118 AromaticContact CE2-CE1 3.85Å; F107-F118 HydrophobicContact CE2-CE1 3.85Å; F107-F118 HydrophobicContact CE2-CG 4.16Å; F107-L119 HydrophobicContact CZ-CD1 4.29Å; F107-L119 HydrophobicContact CZ-CD2 4.18Å; F107-L119 HydrophobicContact CZ-CG 4.02Å |
| 108 | E | 71.6 | Confident | 72 | Confident | 140 Ų | 140 | 96.2 Ų | 96.2 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -28.6 | 179.8 | -69.9 | -163 | 161.1 | 0 | 0 | 113.9 | D105 L110 K115 | D105-E108 HydrophobicContact CB-CB 4.32Å; D105-E108 HydrophobicContact CB-CG 3.87Å; D105-E108 WeakPolarHBondContact O-CA 3.26Å; D105-E108 WeakPolarHBondContact O-CB 3.44Å; D105-E108 PolarHBondContact O-N 3.36Å; E108-L110 PolarHBondContact O-N 3.12Å; E108-K115 PolarHBondContact O-NZ 3.47Å |
| 109 | L | 68.3 | Low | 72.7 | Confident | 98 Ų | 98 | 93 Ų | 93 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -20.1 | 175.8 | -72.3 | 168.2 | 0 | 0 | 0 | 113.6 | L106 | L106-L109 HydrophobicContact CD1-CD1 4.19Š|
| 110 | L | 69.9 | Low | 73.7 | Confident | 51 Ų | 51 | 98.8 Ų | 98.8 | 27% | 0.267 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -71.7 | 135.7 | 175 | -63.9 | 169 | 0 | 0 | 0 | 110 | F107 E108 E114 K115 F118 | F107-L110 HydrophobicContact CD2-CD1 4.17Å; F107-L110 HydrophobicContact CE2-CD1 4.49Å; F107-L110 PolarHBondContact O-N 3.29Å; E108-L110 PolarHBondContact O-N 3.12Å; L110-E114 HydrophobicContact CB-CB 3.95Å; L110-E114 HydrophobicContact CD2-CB 3.9Å; L110-E114 HydrophobicContact CG-CB 4.44Å; L110-K115 HydrophobicContact CB-CG 3.66Å; L110-K115 WeakPolarHBondContact O-CE 3.29Å; L110-K115 PolarHBondContact O-NZ 2.84Å; L110-K115 VanDerWaalsContact O-NZ 3.08Å; L110-F118 HydrophobicContact CD1-CB 4.35Å; L110-F118 HydrophobicContact CD1-CG 4.5Å |
| 111 | T | 78.3 | Confident | 74.7 | Confident | 77 Ų | 77 | 101.2 Ų | 101.2 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | trans | -60 | 161.7 | 168.8 | 61.2 | 0 | 0 | 0 | 0 | 110.5 | E113 E114 K115 | T111-E113 PolarHBondContact O-N 2.81Å; T111-E114 WeakPolarHBondContact CB-OE2 3.07Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.24Å; T111-E114 PolarHBondContact N-OE2 3.22Å; T111-E114 PolarHBondContact O-N 3.26Å; T111-E114 VanDerWaalsContact O-N 3.14Å; T111-E114 VanDerWaalsContact OG1-CD 3.22Å; T111-E114 VanDerWaalsContact OG1-CG 3.24Å; T111-E114 WeakPolarHBondContact OG1-CG 2.72Å; T111-E114 PolarHBondContact OG1-N 3.04Å; T111-E114 PolarHBondContact OG1-OE2 3.34Å; T111-K115 WeakPolarHBondContact O-CG 3.34Å; T111-K115 PolarHBondContact O-N 2.91Å | ||
| 112 | G | 78.8 | Confident | 75.6 | Confident | 53 Ų | 53 | 104.4 Ų | 104.4 | 55% | 0.546 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -54.4 | -38.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E116 | G112-E116 PolarHBondContact O-N 3.17Å |
| 113 | E | 79.8 | Confident | 76.7 | Confident | 159 Ų | 159 | 105.9 Ų | 105.9 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.1 | -46 | 176.9 | -66.4 | -175.5 | 164.1 | 0 | 0 | 111.9 | T111 K115 E116 E117 | T111-E113 PolarHBondContact O-N 2.81Å; E113-K115 VanDerWaalsContact C-N 3.33Å; E113-K115 PolarHBondContact O-N 3.18Å; E113-E116 PolarHBondContact O-N 3.29Å; E113-E116 VanDerWaalsContact O-N 3.17Å; E113-E117 PolarHBondContact O-N 3.2Å |
| 114 | E | 83 | Confident | 77.9 | Confident | 89 Ų | 89 | 106.9 Ų | 106.9 | 42% | 0.416 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.2 | -34.7 | 179 | -68.9 | 166.3 | 139.1 | 0 | 0 | 112.3 | L110 T111 E116 E117 F118 | L110-E114 HydrophobicContact CB-CB 3.95Å; L110-E114 HydrophobicContact CD2-CB 3.9Å; L110-E114 HydrophobicContact CG-CB 4.44Å; T111-E114 WeakPolarHBondContact CB-OE2 3.07Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.24Å; T111-E114 PolarHBondContact N-OE2 3.22Å; T111-E114 PolarHBondContact O-N 3.26Å; T111-E114 VanDerWaalsContact O-N 3.14Å; T111-E114 VanDerWaalsContact OG1-CD 3.22Å; T111-E114 VanDerWaalsContact OG1-CG 3.24Å; T111-E114 WeakPolarHBondContact OG1-CG 2.72Å; T111-E114 PolarHBondContact OG1-N 3.04Å; T111-E114 PolarHBondContact OG1-OE2 3.34Å; E114-E116 VanDerWaalsContact C-N 3.32Å; E114-E116 PolarHBondContact O-N 2.88Å; E114-E117 PolarHBondContact O-N 3.42Å; E114-F118 VanDerWaalsContact O-CB 3.31Å; E114-F118 WeakPolarHBondContact O-CB 3.49Å; E114-F118 PolarHBondContact O-N 3.11Å |
| 115 | K | 83.8 | Confident | 78.8 | Confident | 59 Ų | 59 | 108.8 Ų | 108.8 | 26% | 0.257 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 172.6 | -75.3 | 174 | 175.3 | 150 | 0 | 111.5 | F107 E108 L110 T111 E113 L119 | F107-K115 HydrophobicContact CE1-CD 4.31Å; F107-K115 HydrophobicContact CE1-CG 4.21Å; F107-K115 HydrophobicContact CE2-CG 4.48Å; F107-K115 HydrophobicContact CZ-CB 4.21Å; F107-K115 HydrophobicContact CZ-CG 4.1Å; F107-K115 WeakPolarHBondContact O-CE 3.39Å; E108-K115 PolarHBondContact O-NZ 3.47Å; L110-K115 HydrophobicContact CB-CG 3.66Å; L110-K115 WeakPolarHBondContact O-CE 3.29Å; L110-K115 PolarHBondContact O-NZ 2.84Å; L110-K115 VanDerWaalsContact O-NZ 3.08Å; T111-K115 WeakPolarHBondContact O-CG 3.34Å; T111-K115 PolarHBondContact O-N 2.91Å; E113-K115 VanDerWaalsContact C-N 3.33Å; E113-K115 PolarHBondContact O-N 3.18Å; K115-L119 WeakPolarHBondContact O-CB 3.43Å; K115-L119 VanDerWaalsContact O-CG 3.24Å; K115-L119 WeakPolarHBondContact O-CG 3.41Å; K115-L119 PolarHBondContact O-N 2.87Å |
| 116 | E | 81.5 | Confident | 79.4 | Confident | 144 Ų | 144 | 107.7 Ų | 107.7 | 67% | 0.673 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.4 | -43 | 177.7 | -75.1 | -174.8 | -174.6 | 0 | 0 | 112.1 | G112 E113 E114 L119 K120 | G112-E116 PolarHBondContact O-N 3.17Å; E113-E116 PolarHBondContact O-N 3.29Å; E113-E116 VanDerWaalsContact O-N 3.17Å; E114-E116 VanDerWaalsContact C-N 3.32Å; E114-E116 PolarHBondContact O-N 2.88Å; E116-L119 PolarHBondContact O-N 3.08Å; E116-K120 VanDerWaalsContact O-CB 3.29Å; E116-K120 WeakPolarHBondContact O-CB 3.24Å; E116-K120 PolarHBondContact O-N 3.06Å |
| 117 | E | 84.6 | Confident | 79.9 | Confident | 136 Ų | 136 | 107.6 Ų | 107.6 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.8 | -46.2 | 174.4 | -69.6 | -159.7 | 152.7 | 0 | 0 | 111.3 | E113 E114 K120 I121 | E113-E117 PolarHBondContact O-N 3.2Å; E114-E117 PolarHBondContact O-N 3.42Å; E117-K120 WeakPolarHBondContact O-CB 3.36Å; E117-K120 PolarHBondContact O-N 2.71Å; E117-I121 WeakPolarHBondContact O-CG1 3.13Å; E117-I121 PolarHBondContact O-N 3.21Å |
| 118 | F | 84.9 | Confident | 80.3 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.3 | -49.7 | 175.8 | -178 | -85.1 | 0 | 0 | 0 | 111.3 | F107 L110 E114 K120 I121 W122 | F107-F118 HydrophobicContact CD2-CD1 4.04Å; F107-F118 HydrophobicContact CD2-CE1 4.1Å; F107-F118 AromaticContact CE2-CD1 3.44Å; F107-F118 HydrophobicContact CE2-CD1 3.44Å; F107-F118 VanDerWaalsContact CE2-CD1 3.44Å; F107-F118 AromaticContact CE2-CE1 3.85Å; F107-F118 HydrophobicContact CE2-CE1 3.85Å; F107-F118 HydrophobicContact CE2-CG 4.16Å; L110-F118 HydrophobicContact CD1-CB 4.35Å; L110-F118 HydrophobicContact CD1-CG 4.5Å; E114-F118 VanDerWaalsContact O-CB 3.31Å; E114-F118 WeakPolarHBondContact O-CB 3.49Å; E114-F118 PolarHBondContact O-N 3.11Å; F118-K120 VanDerWaalsContact C-N 3.26Å; F118-K120 PolarHBondContact O-N 2.83Å; F118-I121 PolarHBondContact O-N 3.43Å; F118-W122 HydrophobicContact CD1-CB 4.41Å; F118-W122 HydrophobicContact CE1-CB 4.26Å; F118-W122 HydrophobicContact CE1-CG 4.4Å; F118-W122 VanDerWaalsContact O-CB 3.23Å; F118-W122 WeakPolarHBondContact O-CB 3.25Å; F118-W122 PolarHBondContact O-N 3.14Å |
| 119 | L | 83.7 | Confident | 79.9 | Confident | 60 Ų | 60 | 103.9 Ų | 103.9 | 31% | 0.314 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -34.4 | 178.3 | -76.4 | 171.5 | 0 | 0 | 0 | 112.2 | F107 K115 E116 W122 K123 | F107-L119 HydrophobicContact CZ-CD1 4.29Å; F107-L119 HydrophobicContact CZ-CD2 4.18Å; F107-L119 HydrophobicContact CZ-CG 4.02Å; K115-L119 WeakPolarHBondContact O-CB 3.43Å; K115-L119 VanDerWaalsContact O-CG 3.24Å; K115-L119 WeakPolarHBondContact O-CG 3.41Å; K115-L119 PolarHBondContact O-N 2.87Å; E116-L119 PolarHBondContact O-N 3.08Å; L119-W122 HydrophobicContact CD2-CE3 4.25Å; L119-K123 VanDerWaalsContact O-CB 3.25Å; L119-K123 WeakPolarHBondContact O-CB 3.4Å; L119-K123 WeakPolarHBondContact O-CG 3.29Å; L119-K123 PolarHBondContact O-N 3.24Å |
| 120 | K | 86.8 | Confident | 79.6 | Confident | 166 Ų | 166 | 102.9 Ų | 102.9 | 72% | 0.722 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.7 | -44.9 | 176.9 | -171.3 | 178.1 | -176.3 | -179.7 | 0 | 111.5 | E116 E117 F118 K124 | E116-K120 VanDerWaalsContact O-CB 3.29Å; E116-K120 WeakPolarHBondContact O-CB 3.24Å; E116-K120 PolarHBondContact O-N 3.06Å; E117-K120 WeakPolarHBondContact O-CB 3.36Å; E117-K120 PolarHBondContact O-N 2.71Å; F118-K120 VanDerWaalsContact C-N 3.26Å; F118-K120 PolarHBondContact O-N 2.83Å; K120-K124 WeakPolarHBondContact O-CB 3.38Å; K120-K124 PolarHBondContact O-N 2.06Å |
| 121 | I | 86.4 | Confident | 79 | Confident | 108 Ų | 108 | 103.7 Ų | 103.7 | 55% | 0.554 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | 175.1 | -66.2 | 167 | 0 | 0 | 0 | 109.9 | E117 F118 K124 H125 | E117-I121 WeakPolarHBondContact O-CG1 3.13Å; E117-I121 PolarHBondContact O-N 3.21Å; F118-I121 PolarHBondContact O-N 3.43Å; I121-K124 WeakPolarHBondContact O-CB 3.41Å; I121-K124 PolarHBondContact O-N 3.35Å; I121-H125 PolarHBondContact O-N 3.14Å |
| 122 | W | 84.7 | Confident | 77.8 | Confident | 136 Ų | 136 | 106.9 Ų | 106.9 | 52% | 0.515 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -45.3 | -179 | -171.2 | 64.1 | 0 | 0 | 0 | 112.3 | F118 L119 K124 H125 L126 | F118-W122 HydrophobicContact CD1-CB 4.41Å; F118-W122 HydrophobicContact CE1-CB 4.26Å; F118-W122 HydrophobicContact CE1-CG 4.4Å; F118-W122 VanDerWaalsContact O-CB 3.23Å; F118-W122 WeakPolarHBondContact O-CB 3.25Å; F118-W122 PolarHBondContact O-N 3.14Å; L119-W122 HydrophobicContact CD2-CE3 4.25Å; W122-K124 VanDerWaalsContact C-N 3.35Å; W122-K124 PolarHBondContact O-N 3.44Å; W122-H125 PolarHBondContact O-N 3.13Å; W122-L126 HydrophobicContact CD2-CD1 3.72Å; W122-L126 HydrophobicContact CD2-CG 4.44Å; W122-L126 HydrophobicContact CE3-CD1 3.82Å; W122-L126 HydrophobicContact CG-CD1 4.45Å; W122-L126 HydrophobicContact CH2-CD1 3.8Å; W122-L126 HydrophobicContact CZ2-CD1 3.7Å; W122-L126 HydrophobicContact CZ3-CD1 3.86Å; W122-L126 WeakPolarHBondContact O-CB 3.11Å; W122-L126 WeakPolarHBondContact O-CG 3.15Å; W122-L126 PolarHBondContact O-N 3.17Å |
| 123 | K | 83.5 | Confident | 76.4 | Confident | 133 Ų | 133 | 113.2 Ų | 113.2 | 58% | 0.578 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.6 | -44.3 | 173.1 | -78.2 | 174.9 | -178.1 | 174.5 | 0 | 111.7 | L119 H125 L126 T127 | L119-K123 VanDerWaalsContact O-CB 3.25Å; L119-K123 WeakPolarHBondContact O-CB 3.4Å; L119-K123 WeakPolarHBondContact O-CG 3.29Å; L119-K123 PolarHBondContact O-N 3.24Å; K123-H125 VanDerWaalsContact C-N 3.32Å; K123-H125 PolarHBondContact O-N 3.39Å; K123-L126 PolarHBondContact O-N 3.35Å; K123-T127 WeakPolarHBondContact O-CG2 3.17Å; K123-T127 PolarHBondContact O-N 3.05Å; K123-T127 PolarHBondContact O-OG1 2.78Å; K123-T127 VanDerWaalsContact O-OG1 3.06Å |
| 124 | K | 85.1 | Confident | 74.4 | Confident | 158 Ų | 158 | 116.9 Ų | 116.9 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.8 | -44 | 176.3 | -174.6 | -176.5 | 177.3 | -174.3 | 0 | 111.1 | K120 I121 W122 T127 A128 | K120-K124 WeakPolarHBondContact O-CB 3.38Å; K120-K124 PolarHBondContact O-N 2.06Å; I121-K124 WeakPolarHBondContact O-CB 3.41Å; I121-K124 PolarHBondContact O-N 3.35Å; W122-K124 VanDerWaalsContact C-N 3.35Å; W122-K124 PolarHBondContact O-N 3.44Å; K124-T127 WeakPolarHBondContact CA-OG1 3.41Å; K124-T127 PolarHBondContact O-N 3.16Å; K124-T127 PolarHBondContact O-OG1 3.39Å; K124-A128 WeakPolarHBondContact O-CB 3.39Å; K124-A128 PolarHBondContact O-N 3.45Å |
| 125 | H | 80.5 | Confident | 72.2 | Confident | 114 Ų | 114 | 125.4 Ų | 125.4 | 53% | 0.528 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.2 | -43.9 | 177.2 | -115.2 | -69.3 | 0 | 0 | 0 | 112.7 | I121 W122 K123 A128 N129 | I121-H125 PolarHBondContact O-N 3.14Å; W122-H125 PolarHBondContact O-N 3.13Å; K123-H125 VanDerWaalsContact C-N 3.32Å; K123-H125 PolarHBondContact O-N 3.39Å; H125-A128 PolarHBondContact O-N 3.06Å; H125-N129 PolarHBondContact ND1-ND2 3.15Å; H125-N129 WeakPolarHBondContact O-CB 3.27Å; H125-N129 PolarHBondContact O-N 3.29Å |
| 126 | L | 78.2 | Confident | 71.6 | Confident | 85 Ų | 85 | 128.8 Ų | 128.8 | 45% | 0.445 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.2 | -44.1 | 174.3 | -78.3 | 170.5 | 0 | 0 | 0 | 111.2 | W122 K123 A128 N129 A130 | W122-L126 HydrophobicContact CD2-CD1 3.72Å; W122-L126 HydrophobicContact CD2-CG 4.44Å; W122-L126 HydrophobicContact CE3-CD1 3.82Å; W122-L126 HydrophobicContact CG-CD1 4.45Å; W122-L126 HydrophobicContact CH2-CD1 3.8Å; W122-L126 HydrophobicContact CZ2-CD1 3.7Å; W122-L126 HydrophobicContact CZ3-CD1 3.86Å; W122-L126 WeakPolarHBondContact O-CB 3.11Å; W122-L126 WeakPolarHBondContact O-CG 3.15Å; W122-L126 PolarHBondContact O-N 3.17Å; K123-L126 PolarHBondContact O-N 3.35Å; L126-A128 VanDerWaalsContact C-N 3.28Å; L126-A128 PolarHBondContact O-N 2.94Å; L126-N129 CarbonylContact O-C 3.36Å; L126-N129 PolarHBondContact O-N 2.81Å; L126-A130 WeakPolarHBondContact O-CA 3.37Å; L126-A130 WeakPolarHBondContact O-CB 2.89Å; L126-A130 PolarHBondContact O-N 3.11Å |
| 127 | T | 76.4 | Confident | 71.1 | Confident | 113 Ų | 113 | 127.9 Ų | 127.9 | 69% | 0.693 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.3 | -30.7 | 177.4 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | K123 K124 | K123-T127 WeakPolarHBondContact O-CG2 3.17Å; K123-T127 PolarHBondContact O-N 3.05Å; K123-T127 PolarHBondContact O-OG1 2.78Å; K123-T127 VanDerWaalsContact O-OG1 3.06Å; K124-T127 WeakPolarHBondContact CA-OG1 3.41Å; K124-T127 PolarHBondContact O-N 3.16Å; K124-T127 PolarHBondContact O-OG1 3.39Å |
| 128 | A | 75.4 | Confident | 70.4 | Confident | 64 Ų | 64 | 127.5 Ų | 127.5 | 53% | 0.529 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -74.9 | -35.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K124 H125 L126 | K124-A128 WeakPolarHBondContact O-CB 3.39Å; K124-A128 PolarHBondContact O-N 3.45Å; H125-A128 PolarHBondContact O-N 3.06Å; L126-A128 VanDerWaalsContact C-N 3.28Å; L126-A128 PolarHBondContact O-N 2.94Å |
| 129 | N | 65 | Low | 69.5 | Low | 79 Ų | 79 | 129.1 Ų | 129.1 | 42% | 0.422 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -102.4 | -4.8 | -174.4 | -68.7 | -16.7 | 0 | 0 | 0 | 114.3 | H125 L126 G131 Q132 | H125-N129 PolarHBondContact ND1-ND2 3.15Å; H125-N129 WeakPolarHBondContact O-CB 3.27Å; H125-N129 PolarHBondContact O-N 3.29Å; L126-N129 CarbonylContact O-C 3.36Å; L126-N129 PolarHBondContact O-N 2.81Å; N129-G131 PolarHBondContact O-N 2.97Å; N129-Q132 PolarHBondContact O-N 2.96Å |
| 130 | A | 61.5 | Low | 68.6 | Low | 77 Ų | 77 | 133.4 Ų | 133.4 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -11.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L126 | L126-A130 WeakPolarHBondContact O-CA 3.37Å; L126-A130 WeakPolarHBondContact O-CB 2.89Å; L126-A130 PolarHBondContact O-N 3.11Å |
| 131 | G | 56.1 | Low | 67.4 | Low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -7.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N129 | N129-G131 PolarHBondContact O-N 2.97Š|
| 132 | Q | 55 | Low | 66 | Low | 145 Ų | 145 | 132.9 Ų | 132.9 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -105.5 | -3.9 | -175 | -87.4 | 136.3 | -54.6 | 0 | 0 | 114.9 | N129 R134 | N129-Q132 PolarHBondContact O-N 2.96Å; Q132-R134 PolarHBondContact O-N 3.23Å |
| 133 | Q | 49.1 | Very low | 64.6 | Low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -97.8 | 60.1 | 168.5 | -74.1 | -170.5 | -45.8 | 0 | 0 | 111.3 | ||
| 134 | R | 37.7 | Very low | 63 | Low | 237 Ų | 237 | 132.7 Ų | 132.7 | 89% | 0.894 | 70% | 0.699 | S | S | * | * | trans | -150.7 | 72.1 | 165.6 | -102.7 | -173 | 145.5 | 170.6 | -5.1 | 108.8 | Q132 | Q132-R134 PolarHBondContact O-N 3.23Š| ||
| 135 | M | 36.3 | Very low | 61 | Low | 268 Ų | 268 | 130.4 Ų | 130.4 | 100% | 1.32 | 70% | 0.7 | S | S | * | * | trans | -159.8 | 0 | 154.3 | -99.7 | -174.3 | 177.5 | 0 | 0 | 108.7 |
Retrieved 135 of 135 residues in 60.9 ms
(Link to these results)