| 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 | 31.8 | Very low | 55 | Low | 246 Ų | 246 | 112.6 Ų | 112.6 | 100% | 1.212 | 73% | 0.73 | S | S | * | * | 0 | 110.6 | 0 | -70 | 174.2 | -177.1 | 0 | 0 | 107.2 | A3 | M1-A3 PolarHBondContact O-N 3.42Š| |||
| 2 | A | 35.7 | Very low | 57.3 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 95% | 0.95 | 71% | 0.713 | S | S | * | * | trans | -79 | 105.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | A | 42.4 | Very low | 58.8 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 85% | 0.851 | 72% | 0.719 | S | S | * | * | trans | -119.1 | 81.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | M1 | M1-A3 PolarHBondContact O-N 3.42Š| ||
| 4 | G | 41.8 | Very low | 60.4 | Low | 82 Ų | 82 | 115.5 Ų | 115.5 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | trans | -112.3 | 66.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | D6 | G4-D6 PolarHBondContact O-N 3.29Š| ||
| 5 | G | 50.5 | Low | 62 | Low | 47 Ų | 47 | 110.9 Ų | 110.9 | 49% | 0.485 | 67% | 0.67 | S | S | . | * | trans | -74.6 | 119.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | H7 | G5-H7 VanDerWaalsContact C-N 3.25Å; G5-H7 PolarHBondContact O-N 3.28Å; G5-H7 PolarHBondContact O-ND1 3.36Å | ||
| 6 | D | 53.4 | Low | 63.5 | Low | 143 Ų | 143 | 108.1 Ų | 108.1 | 77% | 0.765 | 66% | 0.655 | S | S | * | * | trans | -62.8 | 93.3 | 161.1 | 175.5 | 38.8 | 0 | 0 | 0 | 107.5 | G4 G8 R14 | G4-D6 PolarHBondContact O-N 3.29Å; D6-G8 PolarHBondContact O-N 3.28Å; D6-G8 VanDerWaalsContact O-N 3.09Å; D6-R14 PolarHBondContact O-NH1 3.3Å; D6-R14 VanDerWaalsContact O-NH1 3.16Å | ||
| 7 | H | 57.3 | Low | 64.8 | Low | 155 Ų | 155 | 108.6 Ų | 108.6 | 72% | 0.718 | 65% | 0.652 | S | S | * | * | trans | -84.5 | 71 | 173.3 | -61.6 | 79.6 | 0 | 0 | 0 | 107.5 | G5 | G5-H7 VanDerWaalsContact C-N 3.25Å; G5-H7 PolarHBondContact O-N 3.28Å; G5-H7 PolarHBondContact O-ND1 3.36Å | ||
| 8 | G | 64.3 | Low | 65.9 | Low | 24 Ų | 24 | 106 Ų | 106 | 25% | 0.247 | 65% | 0.645 | C | S | . | * | trans | -49 | 155.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D6 R14 | D6-G8 PolarHBondContact O-N 3.28Å; D6-G8 VanDerWaalsContact O-N 3.09Å; G8-R14 VanDerWaalsContact O-CZ 3.25Å; G8-R14 PolarHBondContact O-NE 3.34Å; G8-R14 PolarHBondContact O-NH2 2.91Å | ||
| 9 | S | 74.8 | Confident | 66.7 | Low | 55 Ų | 55 | 103.9 Ų | 103.9 | 39% | 0.385 | 64% | 0.635 | S | S | . | * | trans | -49 | 135.9 | -175.7 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | D11 S12 | S9-D11 PolarHBondContact O-N 3.5Å; S9-D11 VanDerWaalsContact O-N 3.15Å; S9-D11 PolarHBondContact OG-N 2.75Å; S9-D11 PolarHBondContact OG-OD2 3.1Å; S9-S12 WeakPolarHBondContact O-CB 3.36Å; S9-S12 PolarHBondContact O-N 3.12Å | ||
| 10 | P | 71.9 | Confident | 67.6 | Low | 120 Ų | 120 | 109 Ų | 109 | 78% | 0.779 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -17.6 | 174 | 27.4 | -35.4 | 0 | 0 | 0 | 112.5 | S12 | P10-S12 VanDerWaalsContact C-N 3.3Š|
| 11 | D | 81.4 | Confident | 68.6 | Low | 149 Ų | 149 | 112 Ų | 112 | 80% | 0.797 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -11.6 | 175.3 | -52.9 | -41.1 | 0 | 0 | 0 | 112.7 | S9 | S9-D11 PolarHBondContact O-N 3.5Å; S9-D11 VanDerWaalsContact O-N 3.15Å; S9-D11 PolarHBondContact OG-N 2.75Å; S9-D11 PolarHBondContact OG-OD2 3.1Å |
| 12 | S | 81.9 | Confident | 71.4 | Confident | 74 Ų | 74 | 102.2 Ų | 102.2 | 52% | 0.517 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -95.4 | 140.5 | 178.1 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | S9 P10 R14 | S9-S12 WeakPolarHBondContact O-CB 3.36Å; S9-S12 PolarHBondContact O-N 3.12Å; P10-S12 VanDerWaalsContact C-N 3.3Å; S12-R14 PolarHBondContact O-N 3.36Å |
| 13 | Y | 77.4 | Confident | 74.1 | Confident | 203 Ų | 203 | 99.2 Ų | 99.2 | 80% | 0.796 | 58% | 0.575 | S | S | * | * | trans | -57.3 | 129.5 | 176.2 | 173.7 | -103 | 0 | 0 | 0 | 111.3 | ||||
| 14 | R | 80.7 | Confident | 76.2 | Confident | 101 Ų | 101 | 99.1 Ų | 99.1 | 38% | 0.381 | 57% | 0.565 | S | S | . | * | trans | -128.3 | 138.8 | 172.4 | -64.3 | -169.4 | -172.5 | -165.5 | 32.4 | 109.7 | D6 G8 S12 | D6-R14 PolarHBondContact O-NH1 3.3Å; D6-R14 VanDerWaalsContact O-NH1 3.16Å; G8-R14 VanDerWaalsContact O-CZ 3.25Å; G8-R14 PolarHBondContact O-NE 3.34Å; G8-R14 PolarHBondContact O-NH2 2.91Å; S12-R14 PolarHBondContact O-N 3.36Å | ||
| 15 | S | 85 | Confident | 78.6 | Confident | 47 Ų | 47 | 101.2 Ų | 101.2 | 33% | 0.329 | 55% | 0.553 | S | S | . | * | trans | -61.7 | 126.8 | 173.4 | 177 | 0 | 0 | 0 | 0 | 110.1 | L17 A18 S19 | S15-L17 PolarHBondContact O-N 3.37Å; S15-L17 PolarHBondContact OG-N 2.93Å; S15-A18 PolarHBondContact O-N 2.96Å; S15-S19 PolarHBondContact O-N 2.58Å; S15-S19 PolarHBondContact O-OG 3Å | ||
| 16 | P | 85.3 | Confident | 80.6 | Confident | 65 Ų | 65 | 103.8 Ų | 103.8 | 42% | 0.422 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.3 | -27.1 | 176.2 | 26.2 | -34 | 0 | 0 | 0 | 111.5 | S19 R20 Y21 | P16-S19 WeakPolarHBondContact CA-OG 3.4Å; P16-S19 PolarHBondContact O-N 3.46Å; P16-R20 PolarHBondContact O-N 2.79Å; P16-Y21 HydrophobicContact CB-CD2 4.47Å; P16-Y21 HydrophobicContact CB-CE2 4.15Å; P16-Y21 VanDerWaalsContact O-CD2 3.27Å; P16-Y21 WeakPolarHBondContact O-CD2 3.27Å |
| 17 | L | 86.9 | Confident | 82.3 | Confident | 117 Ų | 117 | 99 Ų | 99 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | I | π-helix | trans | -61.4 | -47.1 | 174.1 | -66.6 | 175 | 0 | 0 | 0 | 111.2 | S15 Y21 A22 | S15-L17 PolarHBondContact O-N 3.37Å; S15-L17 PolarHBondContact OG-N 2.93Å; L17-Y21 HydrophobicContact CD2-CD2 4.34Å; L17-Y21 PolarHBondContact O-N 3.19Å; L17-A22 WeakPolarHBondContact O-CB 3.4Å; L17-A22 PolarHBondContact O-N 3.39Å |
| 18 | A | 83.9 | Confident | 83.9 | Confident | 62 Ų | 62 | 95.4 Ų | 95.4 | 51% | 0.512 | 51% | 0.513 | S | S | . | . | I | π-helix | trans | -74.5 | -28.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S15 | S15-A18 PolarHBondContact O-N 2.96Å |
| 19 | S | 80.6 | Confident | 85.2 | Confident | 67 Ų | 67 | 97.5 Ų | 97.5 | 47% | 0.469 | 52% | 0.521 | S | S | . | . | I | π-helix | trans | -96.2 | -26 | -173 | 56.8 | 0 | 0 | 0 | 0 | 115 | S15 P16 | S15-S19 PolarHBondContact O-N 2.58Å; S15-S19 PolarHBondContact O-OG 3Å; P16-S19 WeakPolarHBondContact CA-OG 3.4Å; P16-S19 PolarHBondContact O-N 3.46Å |
| 20 | R | 84.4 | Confident | 86 | Confident | 204 Ų | 204 | 102.8 Ų | 102.8 | 77% | 0.77 | 54% | 0.537 | S | S | * | . | I | π-helix | trans | -125.7 | -33.3 | -174 | -72.5 | -172.6 | 162.9 | -176 | -3.8 | 115.1 | P16 | P16-R20 PolarHBondContact O-N 2.79Å |
| 21 | Y | 89.9 | Confident | 86.8 | Confident | 172 Ų | 172 | 98.5 Ų | 98.5 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | I | π-helix | trans | -109.7 | -35.2 | -165.1 | -59.5 | -63.1 | 0 | 0 | 0 | 114 | P16 L17 | P16-Y21 HydrophobicContact CB-CD2 4.47Å; P16-Y21 HydrophobicContact CB-CE2 4.15Å; P16-Y21 VanDerWaalsContact O-CD2 3.27Å; P16-Y21 WeakPolarHBondContact O-CD2 3.27Å; L17-Y21 HydrophobicContact CD2-CD2 4.34Å; L17-Y21 PolarHBondContact O-N 3.19Å |
| 22 | A | 90.8 | Very high | 87.3 | Confident | 42 Ų | 42 | 96.1 Ų | 96.1 | 35% | 0.347 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -84.4 | 147.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L17 | L17-A22 WeakPolarHBondContact O-CB 3.4Å; L17-A22 PolarHBondContact O-N 3.39Å |
| 23 | S | 91.6 | Very high | 87.8 | Confident | 52 Ų | 52 | 101.8 Ų | 101.8 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | trans | -70.5 | 154.8 | 173.3 | 87.6 | 0 | 0 | 0 | 0 | 111.1 | E25 M26 C27 | S23-E25 WeakPolarHBondContact CB-OE2 3.28Å; S23-E25 PolarHBondContact O-N 3.32Å; S23-E25 PolarHBondContact OG-OE2 3.18Å; S23-M26 PolarHBondContact O-N 3.07Å; S23-M26 VanDerWaalsContact O-N 3.15Å; S23-M26 PolarHBondContact OG-N 3.49Å; S23-C27 PolarHBondContact O-N 2.88Å; S23-C27 PolarHBondContact O-SG 3.3Å | ||
| 24 | P | 87.3 | Confident | 88.6 | Confident | 100 Ų | 100 | 96.2 Ų | 96.2 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -56.6 | -35.5 | 177.3 | -24.5 | 34.4 | 0 | 0 | 0 | 113.3 | F28 | P24-F28 PolarHBondContact O-N 3.32Å |
| 25 | E | 91.3 | Very high | 89.2 | Confident | 127 Ų | 127 | 95 Ų | 95 | 59% | 0.593 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.4 | -43.8 | 178.6 | -54.1 | 73.8 | -159.6 | 0 | 0 | 110.9 | S23 F28 V29 | S23-E25 WeakPolarHBondContact CB-OE2 3.28Å; S23-E25 PolarHBondContact O-N 3.32Å; S23-E25 PolarHBondContact OG-OE2 3.18Å; E25-F28 WeakPolarHBondContact O-CB 3.45Å; E25-F28 PolarHBondContact O-N 3.25Å; E25-V29 WeakPolarHBondContact O-CG2 3.47Å; E25-V29 PolarHBondContact O-N 2.7Å |
| 26 | M | 92 | Very high | 89.7 | Confident | 100 Ų | 100 | 97.4 Ų | 97.4 | 49% | 0.493 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.9 | -170.4 | 66.4 | 77.6 | 0 | 0 | 111.1 | S23 F28 V29 F30 | S23-M26 PolarHBondContact O-N 3.07Å; S23-M26 VanDerWaalsContact O-N 3.15Å; S23-M26 PolarHBondContact OG-N 3.49Å; M26-F28 PolarHBondContact O-N 2.89Å; M26-V29 PolarHBondContact O-N 2.95Å; M26-F30 HydrophobicContact CG-CD2 4.22Å; M26-F30 HydrophobicContact CG-CE2 4.11Å; M26-F30 WeakPolarHBondContact O-CD2 3.38Å; M26-F30 PolarHBondContact O-N 2.89Å; M26-F30 HydrophobicContact SD-CD2 4.2Å; M26-F30 HydrophobicContact SD-CE2 3.61Å |
| 27 | C | 89.3 | Confident | 90.3 | Very high | 42 Ų | 42 | 101.9 Ų | 101.9 | 28% | 0.284 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -35.8 | 174.1 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | S23 S31 | S23-C27 PolarHBondContact O-N 2.88Å; S23-C27 PolarHBondContact O-SG 3.3Å; C27-S31 PolarHBondContact O-N 3.32Å; C27-S31 VanDerWaalsContact O-N 3.14Å |
| 28 | F | 91.2 | Very high | 90.7 | Very high | 81 Ų | 81 | 98.4 Ų | 98.4 | 36% | 0.355 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 176.2 | 177.2 | -104.7 | 0 | 0 | 0 | 112.7 | P24 E25 M26 F30 S31 Y34 | P24-F28 PolarHBondContact O-N 3.32Å; E25-F28 WeakPolarHBondContact O-CB 3.45Å; E25-F28 PolarHBondContact O-N 3.25Å; M26-F28 PolarHBondContact O-N 2.89Å; F28-F30 PolarHBondContact O-N 3.34Å; F28-S31 VanDerWaalsContact O-CB 3.24Å; F28-S31 WeakPolarHBondContact O-CB 3.34Å; F28-S31 PolarHBondContact O-N 3.02Å; F28-S31 PolarHBondContact O-OG 3.49Å; F28-Y34 HydrophobicContact CD1-CD2 4.3Å; F28-Y34 AromaticContact CE1-CD2 3.61Å; F28-Y34 HydrophobicContact CE1-CD2 3.61Å; F28-Y34 HydrophobicContact CE1-CE2 4.31Å; F28-Y34 HydrophobicContact CE1-CG 4.4Å; F28-Y34 HydrophobicContact CZ-CD2 4.04Å; F28-Y34 VanDerWaalsContact O-CB 3.22Å; F28-Y34 WeakPolarHBondContact O-CB 3.16Å |
| 29 | V | 92.7 | Very high | 91.3 | Very high | 68 Ų | 68 | 101.7 Ų | 101.7 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.3 | -39.1 | 177 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | E25 M26 S31 Y34 | E25-V29 WeakPolarHBondContact O-CG2 3.47Å; E25-V29 PolarHBondContact O-N 2.7Å; M26-V29 PolarHBondContact O-N 2.95Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-Y34 HydrophobicContact CG1-CE1 4.39Å; V29-Y34 WeakPolarHBondContact O-CD1 3.48Å |
| 30 | F | 89.6 | Confident | 92.1 | Very high | 165 Ų | 165 | 107.9 Ų | 107.9 | 72% | 0.724 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 7.9 | 176.9 | -65.6 | -70.4 | 0 | 0 | 0 | 114.3 | M26 F28 | M26-F30 HydrophobicContact CG-CD2 4.22Å; M26-F30 HydrophobicContact CG-CE2 4.11Å; M26-F30 WeakPolarHBondContact O-CD2 3.38Å; M26-F30 PolarHBondContact O-N 2.89Å; M26-F30 HydrophobicContact SD-CD2 4.2Å; M26-F30 HydrophobicContact SD-CE2 3.61Å; F28-F30 PolarHBondContact O-N 3.34Å |
| 31 | S | 89.5 | Confident | 92.7 | Very high | 31 Ų | 31 | 101.7 Ų | 101.7 | 22% | 0.217 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -75.5 | 151 | 178.4 | 73.3 | 0 | 0 | 0 | 0 | 112.1 | C27 F28 V29 R33 Y34 K35 | C27-S31 PolarHBondContact O-N 3.32Å; C27-S31 VanDerWaalsContact O-N 3.14Å; F28-S31 VanDerWaalsContact O-CB 3.24Å; F28-S31 WeakPolarHBondContact O-CB 3.34Å; F28-S31 PolarHBondContact O-N 3.02Å; F28-S31 PolarHBondContact O-OG 3.49Å; V29-S31 VanDerWaalsContact C-N 3.33Å; S31-R33 PolarHBondContact O-N 2.98Å; S31-Y34 PolarHBondContact O-N 3.33Å; S31-Y34 VanDerWaalsContact O-N 3.1Å; S31-Y34 PolarHBondContact OG-N 2.84Å; S31-K35 PolarHBondContact O-N 3.47Å |
| 32 | D | 91.8 | Very high | 93 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.8 | -35.6 | 174.1 | -78.9 | -37.1 | 0 | 0 | 0 | 112.4 | Y34 K35 F36 | D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 2.94Å; D32-K35 PolarHBondContact O-N 3.25Å; D32-K35 IonicContact OD1-NZ 2.7Å; D32-K35 PolarHBondContact OD1-NZ 3.45Å; D32-F36 HydrophobicContact CB-CD2 4.19Å; D32-F36 HydrophobicContact CB-CE2 3.82Å; D32-F36 WeakPolarHBondContact O-CD2 3.31Å; D32-F36 WeakPolarHBondContact O-CG 3.44Å; D32-F36 PolarHBondContact O-N 2.89Å |
| 33 | R | 92.4 | Very high | 93.3 | Very high | 192 Ų | 192 | 104.4 Ų | 104.4 | 73% | 0.725 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60 | -44.9 | 176.7 | -176.4 | 176.6 | 176.5 | -128.4 | -0 | 111.5 | S31 R37 | S31-R33 PolarHBondContact O-N 2.98Å; R33-R37 WeakPolarHBondContact O-CB 3.21Å; R33-R37 PolarHBondContact O-N 3.01Å |
| 34 | Y | 93.8 | Very high | 93.5 | Very high | 87 Ų | 87 | 106.6 Ų | 106.6 | 34% | 0.341 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69 | -45.2 | 178.2 | -170.3 | -98.7 | 0 | 0 | 0 | 110.9 | F28 V29 S31 D32 F36 R37 T38 | F28-Y34 HydrophobicContact CD1-CD2 4.3Å; F28-Y34 AromaticContact CE1-CD2 3.61Å; F28-Y34 HydrophobicContact CE1-CD2 3.61Å; F28-Y34 HydrophobicContact CE1-CE2 4.31Å; F28-Y34 HydrophobicContact CE1-CG 4.4Å; F28-Y34 HydrophobicContact CZ-CD2 4.04Å; F28-Y34 VanDerWaalsContact O-CB 3.22Å; F28-Y34 WeakPolarHBondContact O-CB 3.16Å; V29-Y34 HydrophobicContact CG1-CE1 4.39Å; V29-Y34 WeakPolarHBondContact O-CD1 3.48Å; S31-Y34 PolarHBondContact O-N 3.33Å; S31-Y34 VanDerWaalsContact O-N 3.1Å; S31-Y34 PolarHBondContact OG-N 2.84Å; D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 2.94Å; Y34-F36 PolarHBondContact O-N 3.19Å; Y34-R37 PolarHBondContact O-N 2.98Å; Y34-T38 PolarHBondContact O-N 3.09Å; Y34-T38 PolarHBondContact O-OG1 2.98Å |
| 35 | K | 93.3 | Very high | 93.9 | Very high | 76 Ų | 76 | 108 Ų | 108 | 33% | 0.33 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -51.1 | -54.7 | 175.7 | -175.4 | -176.4 | 77.1 | -162.8 | 0 | 112.6 | S31 D32 R37 T38 W39 | S31-K35 PolarHBondContact O-N 3.47Å; D32-K35 PolarHBondContact O-N 3.25Å; D32-K35 IonicContact OD1-NZ 2.7Å; D32-K35 PolarHBondContact OD1-NZ 3.45Å; K35-R37 PolarHBondContact O-N 2.88Å; K35-T38 PolarHBondContact O-N 3.43Å; K35-W39 HydrophobicContact CD-CH2 4.1Å; K35-W39 HydrophobicContact CD-CZ2 3.78Å; K35-W39 HydrophobicContact CG-CD2 4.29Å; K35-W39 HydrophobicContact CG-CH2 4.37Å; K35-W39 HydrophobicContact CG-CZ2 3.75Å; K35-W39 PolarHBondContact O-N 3.39Å |
| 36 | F | 96.8 | Very high | 94.1 | Very high | 97 Ų | 97 | 105.8 Ų | 105.8 | 43% | 0.425 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70 | -32.8 | -176.5 | -63.7 | -52 | 0 | 0 | 0 | 113.2 | D32 Y34 W39 R40 | D32-F36 HydrophobicContact CB-CD2 4.19Å; D32-F36 HydrophobicContact CB-CE2 3.82Å; D32-F36 WeakPolarHBondContact O-CD2 3.31Å; D32-F36 WeakPolarHBondContact O-CG 3.44Å; D32-F36 PolarHBondContact O-N 2.89Å; Y34-F36 PolarHBondContact O-N 3.19Å; F36-W39 AromaticContact CD1-CE3 3.83Å; F36-W39 HydrophobicContact CD1-CE3 3.83Å; F36-W39 AromaticContact CD1-CZ3 3.97Å; F36-W39 HydrophobicContact CD1-CZ3 3.97Å; F36-W39 HydrophobicContact CE1-CE3 4.16Å; F36-W39 HydrophobicContact CE1-CH2 4.5Å; F36-W39 AromaticContact CE1-CZ3 3.8Å; F36-W39 HydrophobicContact CE1-CZ3 3.8Å; F36-R40 WeakPolarHBondContact O-CG 3.43Å; F36-R40 PolarHBondContact O-N 3.32Å |
| 37 | R | 96.3 | Very high | 94.2 | Very high | 158 Ų | 158 | 103.5 Ų | 103.5 | 60% | 0.596 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.6 | -50 | 171.1 | 176.5 | -174.3 | 172.7 | -177.4 | -0.1 | 110.5 | R33 Y34 K35 W39 R40 Q41 | R33-R37 WeakPolarHBondContact O-CB 3.21Å; R33-R37 PolarHBondContact O-N 3.01Å; Y34-R37 PolarHBondContact O-N 2.98Å; K35-R37 PolarHBondContact O-N 2.88Å; R37-W39 VanDerWaalsContact C-N 3.32Å; R37-W39 PolarHBondContact O-N 3.23Å; R37-R40 PolarHBondContact O-N 3.27Å; R37-Q41 PolarHBondContact O-N 3.02Å; R37-Q41 VanDerWaalsContact O-N 3.08Å |
| 38 | T | 96.6 | Very high | 94.4 | Very high | 45 Ų | 45 | 106.1 Ų | 106.1 | 28% | 0.276 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | -178 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | Y34 K35 Q41 L42 | Y34-T38 PolarHBondContact O-N 3.09Å; Y34-T38 PolarHBondContact O-OG1 2.98Å; K35-T38 PolarHBondContact O-N 3.43Å; T38-Q41 WeakPolarHBondContact O-CB 3.47Å; T38-Q41 PolarHBondContact O-N 3.26Å; T38-L42 WeakPolarHBondContact O-CG 3.44Å; T38-L42 PolarHBondContact O-N 2.99Å |
| 39 | W | 97.1 | Very high | 94.4 | Very high | 131 Ų | 131 | 105 Ų | 105 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 175.4 | -68.1 | -3.4 | 0 | 0 | 0 | 112.6 | K35 F36 R37 Q41 L42 W43 | K35-W39 HydrophobicContact CD-CH2 4.1Å; K35-W39 HydrophobicContact CD-CZ2 3.78Å; K35-W39 HydrophobicContact CG-CD2 4.29Å; K35-W39 HydrophobicContact CG-CH2 4.37Å; K35-W39 HydrophobicContact CG-CZ2 3.75Å; K35-W39 PolarHBondContact O-N 3.39Å; F36-W39 AromaticContact CD1-CE3 3.83Å; F36-W39 HydrophobicContact CD1-CE3 3.83Å; F36-W39 AromaticContact CD1-CZ3 3.97Å; F36-W39 HydrophobicContact CD1-CZ3 3.97Å; F36-W39 HydrophobicContact CE1-CE3 4.16Å; F36-W39 HydrophobicContact CE1-CH2 4.5Å; F36-W39 AromaticContact CE1-CZ3 3.8Å; F36-W39 HydrophobicContact CE1-CZ3 3.8Å; R37-W39 VanDerWaalsContact C-N 3.32Å; R37-W39 PolarHBondContact O-N 3.23Å; W39-Q41 PolarHBondContact O-N 3.49Å; W39-L42 WeakPolarHBondContact O-CB 3.36Å; W39-L42 PolarHBondContact O-N 3.45Å; W39-L42 VanDerWaalsContact O-N 3.09Å; W39-W43 PolarHBondContact O-N 3.46Å |
| 40 | R | 96.9 | Very high | 94.3 | Very high | 196 Ų | 196 | 107.2 Ų | 107.2 | 74% | 0.74 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.1 | -35.4 | 177.2 | -70.2 | 174 | -175.6 | -174.1 | 0.9 | 112.2 | F36 R37 W43 L44 | F36-R40 WeakPolarHBondContact O-CG 3.43Å; F36-R40 PolarHBondContact O-N 3.32Å; R37-R40 PolarHBondContact O-N 3.27Å; R40-W43 PolarHBondContact O-N 3.27Å; R40-L44 PolarHBondContact O-N 3.08Å |
| 41 | Q | 95.9 | Very high | 94.1 | Very high | 75 Ų | 75 | 106.3 Ų | 106.3 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 175.8 | -175 | 169.9 | 0.6 | 0 | 0 | 111.9 | R37 T38 W39 W43 L44 W45 | R37-Q41 PolarHBondContact O-N 3.02Å; R37-Q41 VanDerWaalsContact O-N 3.08Å; T38-Q41 WeakPolarHBondContact O-CB 3.47Å; T38-Q41 PolarHBondContact O-N 3.26Å; W39-Q41 PolarHBondContact O-N 3.49Å; Q41-W43 VanDerWaalsContact C-N 3.35Å; Q41-W43 PolarHBondContact O-N 3.32Å; Q41-L44 PolarHBondContact O-N 3.26Å; Q41-W45 HydrophobicContact CG-CD2 4.13Å; Q41-W45 HydrophobicContact CG-CH2 4.11Å; Q41-W45 HydrophobicContact CG-CZ2 3.72Å; Q41-W45 HydrophobicContact CG-CZ3 4.49Å; Q41-W45 PolarHBondContact O-N 3.22Å |
| 42 | L | 97.4 | Very high | 93.9 | Very high | 90 Ų | 90 | 107.3 Ų | 107.3 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 173.7 | -68.6 | 169.1 | 0 | 0 | 0 | 111.9 | T38 W39 L44 W45 L46 | T38-L42 WeakPolarHBondContact O-CG 3.44Å; T38-L42 PolarHBondContact O-N 2.99Å; W39-L42 WeakPolarHBondContact O-CB 3.36Å; W39-L42 PolarHBondContact O-N 3.45Å; W39-L42 VanDerWaalsContact O-N 3.09Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-L44 PolarHBondContact O-N 3.15Å; L42-W45 HydrophobicContact CD2-CE3 3.8Å; L42-W45 HydrophobicContact CD2-CZ3 3.89Å; L42-W45 PolarHBondContact O-N 2.7Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 PolarHBondContact O-N 3.06Å |
| 43 | W | 96.4 | Very high | 93.2 | Very high | 181 Ų | 181 | 105.9 Ų | 105.9 | 69% | 0.686 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -39.5 | 175.6 | -76.5 | 107.7 | 0 | 0 | 0 | 112.6 | W39 R40 Q41 L46 A47 | W39-W43 PolarHBondContact O-N 3.46Å; R40-W43 PolarHBondContact O-N 3.27Å; Q41-W43 VanDerWaalsContact C-N 3.35Å; Q41-W43 PolarHBondContact O-N 3.32Å; W43-L46 HydrophobicContact CE3-CD2 4.14Å; W43-L46 HydrophobicContact CZ3-CD2 4.13Å; W43-L46 PolarHBondContact O-N 3.32Å; W43-A47 PolarHBondContact O-N 3.35Å |
| 44 | L | 96.3 | Very high | 92 | Very high | 97 Ų | 97 | 100.8 Ų | 100.8 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 175.6 | -178.2 | 64.3 | 0 | 0 | 0 | 111 | R40 Q41 L42 L46 A47 E48 | R40-L44 PolarHBondContact O-N 3.08Å; Q41-L44 PolarHBondContact O-N 3.26Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-L44 PolarHBondContact O-N 3.15Å; L44-L46 VanDerWaalsContact C-N 3.29Å; L44-L46 PolarHBondContact O-N 3.27Å; L44-A47 PolarHBondContact O-N 2.99Å; L44-E48 WeakPolarHBondContact O-CG 3.44Å; L44-E48 PolarHBondContact O-N 3.43Å |
| 45 | W | 95.8 | Very high | 90.6 | Very high | 129 Ų | 129 | 100.6 Ų | 100.6 | 49% | 0.489 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 176.9 | -66.6 | -23.7 | 0 | 0 | 0 | 112.9 | Q41 L42 E48 A49 | Q41-W45 HydrophobicContact CG-CD2 4.13Å; Q41-W45 HydrophobicContact CG-CH2 4.11Å; Q41-W45 HydrophobicContact CG-CZ2 3.72Å; Q41-W45 HydrophobicContact CG-CZ3 4.49Å; Q41-W45 PolarHBondContact O-N 3.22Å; L42-W45 HydrophobicContact CD2-CE3 3.8Å; L42-W45 HydrophobicContact CD2-CZ3 3.89Å; L42-W45 PolarHBondContact O-N 2.7Å; W45-E48 PolarHBondContact O-N 3.18Å; W45-A49 WeakPolarHBondContact O-CB 3.16Å; W45-A49 PolarHBondContact O-N 2.95Å |
| 46 | L | 95.7 | Very high | 89 | Confident | 81 Ų | 81 | 103.5 Ų | 103.5 | 42% | 0.424 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 174.5 | -179 | 63.6 | 0 | 0 | 0 | 110.8 | L42 W43 L44 E48 A49 E50 | L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 PolarHBondContact O-N 3.06Å; W43-L46 HydrophobicContact CE3-CD2 4.14Å; W43-L46 HydrophobicContact CZ3-CD2 4.13Å; W43-L46 PolarHBondContact O-N 3.32Å; L44-L46 VanDerWaalsContact C-N 3.29Å; L44-L46 PolarHBondContact O-N 3.27Å; L46-E48 PolarHBondContact O-N 3.47Å; L46-A49 PolarHBondContact O-N 3Å; L46-E50 HydrophobicContact CD1-CG 4.48Å; L46-E50 WeakPolarHBondContact O-CG 3.33Å; L46-E50 PolarHBondContact O-N 2.94Å |
| 47 | A | 94.6 | Very high | 87.2 | Confident | 52 Ų | 52 | 101.9 Ų | 101.9 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W43 L44 Q51 | W43-A47 PolarHBondContact O-N 3.35Å; L44-A47 PolarHBondContact O-N 2.99Å; A47-Q51 VanDerWaalsContact O-CB 3.31Å; A47-Q51 WeakPolarHBondContact O-CB 3.15Å; A47-Q51 PolarHBondContact O-N 3.19Å |
| 48 | E | 93.4 | Very high | 85.1 | Confident | 97 Ų | 97 | 96.4 Ų | 96.4 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 174 | -73.7 | 171.1 | -179.5 | 0 | 0 | 111.4 | L44 W45 L46 Q51 A52 | L44-E48 WeakPolarHBondContact O-CG 3.44Å; L44-E48 PolarHBondContact O-N 3.43Å; W45-E48 PolarHBondContact O-N 3.18Å; L46-E48 PolarHBondContact O-N 3.47Å; E48-Q51 PolarHBondContact O-N 3.27Å; E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 2.81Å |
| 49 | A | 91.3 | Very high | 83 | Confident | 58 Ų | 58 | 103.7 Ų | 103.7 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W45 L46 Q51 A52 C53 | W45-A49 WeakPolarHBondContact O-CB 3.16Å; W45-A49 PolarHBondContact O-N 2.95Å; L46-A49 PolarHBondContact O-N 3Å; A49-Q51 VanDerWaalsContact C-N 3.34Å; A49-A52 PolarHBondContact O-N 2.7Å; A49-C53 WeakPolarHBondContact O-CB 3.22Å; A49-C53 PolarHBondContact O-N 3.14Å |
| 50 | E | 89.1 | Confident | 81.1 | Confident | 114 Ų | 114 | 103.3 Ų | 103.3 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 175.5 | -75.8 | -179.1 | 174.8 | 0 | 0 | 111.7 | L46 T54 | L46-E50 HydrophobicContact CD1-CG 4.48Å; L46-E50 WeakPolarHBondContact O-CG 3.33Å; L46-E50 PolarHBondContact O-N 2.94Å; E50-T54 WeakPolarHBondContact O-CB 3.46Å; E50-T54 PolarHBondContact O-N 3.27Å; E50-T54 PolarHBondContact O-OG1 3.39Å |
| 51 | Q | 86.9 | Confident | 79.5 | Confident | 146 Ų | 146 | 97.3 Ų | 97.3 | 68% | 0.682 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 174.9 | -179.3 | 176.6 | 43.8 | 0 | 0 | 111.7 | A47 E48 A49 T54 A55 | A47-Q51 VanDerWaalsContact O-CB 3.31Å; A47-Q51 WeakPolarHBondContact O-CB 3.15Å; A47-Q51 PolarHBondContact O-N 3.19Å; E48-Q51 PolarHBondContact O-N 3.27Å; A49-Q51 VanDerWaalsContact C-N 3.34Å; Q51-T54 PolarHBondContact O-N 3.18Å; Q51-A55 PolarHBondContact O-N 3.4Å |
| 52 | A | 83.4 | Confident | 77.8 | Confident | 53 Ų | 53 | 98.3 Ų | 98.3 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -49.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E48 A49 T54 A55 D56 | E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 2.81Å; A49-A52 PolarHBondContact O-N 2.7Å; A52-T54 VanDerWaalsContact C-N 3.26Å; A52-T54 PolarHBondContact O-N 3.47Å; A52-A55 PolarHBondContact O-N 3.23Å; A52-D56 PolarHBondContact O-N 2.99Å |
| 53 | C | 78.1 | Confident | 76 | Confident | 68 Ų | 68 | 98.8 Ų | 98.8 | 46% | 0.459 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.3 | -44.4 | 175.7 | -157.1 | 0 | 0 | 0 | 0 | 110.5 | A49 A55 D56 H57 | A49-C53 WeakPolarHBondContact O-CB 3.22Å; A49-C53 PolarHBondContact O-N 3.14Å; C53-A55 VanDerWaalsContact C-N 3.34Å; C53-A55 PolarHBondContact O-N 3.1Å; C53-D56 WeakPolarHBondContact O-CA 3.4Å; C53-D56 WeakPolarHBondContact O-CB 3.37Å; C53-D56 PolarHBondContact O-N 3.24Å; C53-H57 PolarHBondContact O-CD2 3.27Å; C53-H57 PolarHBondContact O-N 3Å; C53-H57 PolarHBondContact O-NE2 3Å; C53-H57 PolarHBondContact SG-CD2 2.65Å; C53-H57 PolarHBondContact SG-NE2 2.95Å |
| 54 | T | 66.8 | Low | 74.2 | Confident | 86 Ų | 86 | 94.4 Ų | 94.4 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -30.2 | -180 | -53 | 0 | 0 | 0 | 0 | 115.1 | E50 Q51 A52 D56 H57 | E50-T54 WeakPolarHBondContact O-CB 3.46Å; E50-T54 PolarHBondContact O-N 3.27Å; E50-T54 PolarHBondContact O-OG1 3.39Å; Q51-T54 PolarHBondContact O-N 3.18Å; A52-T54 VanDerWaalsContact C-N 3.26Å; A52-T54 PolarHBondContact O-N 3.47Å; T54-D56 VanDerWaalsContact C-N 3.28Å; T54-H57 WeakPolarHBondContact CA-CE1 3.12Å; T54-H57 WeakPolarHBondContact CA-NE2 2.97Å; T54-H57 PolarHBondContact N-NE2 3.41Å; T54-H57 PolarHBondContact OG1-CE1 3.18Å; T54-H57 VanDerWaalsContact OG1-CE1 3.3Å |
| 55 | A | 64.1 | Low | 72.7 | Confident | 83 Ų | 83 | 95.3 Ų | 95.3 | 69% | 0.686 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.9 | -31.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q51 A52 C53 | Q51-A55 PolarHBondContact O-N 3.4Å; A52-A55 PolarHBondContact O-N 3.23Å; C53-A55 VanDerWaalsContact C-N 3.34Å; C53-A55 PolarHBondContact O-N 3.1Å |
| 56 | D | 59.8 | Low | 71.1 | Confident | 136 Ų | 136 | 94.7 Ų | 94.7 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -85.5 | -36.7 | -175.9 | -67.6 | -29.7 | 0 | 0 | 0 | 113.2 | A52 C53 T54 S58 | A52-D56 PolarHBondContact O-N 2.99Å; C53-D56 WeakPolarHBondContact O-CA 3.4Å; C53-D56 WeakPolarHBondContact O-CB 3.37Å; C53-D56 PolarHBondContact O-N 3.24Å; T54-D56 VanDerWaalsContact C-N 3.28Å; D56-S58 VanDerWaalsContact C-N 3.35Å; D56-S58 PolarHBondContact O-N 3.44Å |
| 57 | H | 58.5 | Low | 69.4 | Low | 63 Ų | 63 | 95.2 Ų | 95.2 | 29% | 0.292 | 54% | 0.537 | S | S | . | . | trans | -85.9 | 79.5 | 176.1 | 47.7 | 74.3 | 0 | 0 | 0 | 111.1 | C53 T54 W59 | C53-H57 PolarHBondContact O-CD2 3.27Å; C53-H57 PolarHBondContact O-N 3Å; C53-H57 PolarHBondContact O-NE2 3Å; C53-H57 PolarHBondContact SG-CD2 2.65Å; C53-H57 PolarHBondContact SG-NE2 2.95Å; T54-H57 WeakPolarHBondContact CA-CE1 3.12Å; T54-H57 WeakPolarHBondContact CA-NE2 2.97Å; T54-H57 PolarHBondContact N-NE2 3.41Å; T54-H57 PolarHBondContact OG1-CE1 3.18Å; T54-H57 VanDerWaalsContact OG1-CE1 3.3Å; H57-W59 PolarHBondContact O-N 3.49Å | ||
| 58 | S | 52.5 | Low | 67.7 | Low | 44 Ų | 44 | 95.5 Ų | 95.5 | 31% | 0.308 | 55% | 0.546 | S | S | . | . | trans | -53.2 | 131 | 155.5 | 60.6 | 0 | 0 | 0 | 0 | 108 | D56 E60 T61 | D56-S58 VanDerWaalsContact C-N 3.35Å; D56-S58 PolarHBondContact O-N 3.44Å; S58-E60 VanDerWaalsContact CB-OE1 3.28Å; S58-E60 WeakPolarHBondContact CB-OE1 3.24Å; S58-E60 PolarHBondContact O-N 3.27Å; S58-E60 VanDerWaalsContact OG-CG 3.27Å; S58-E60 WeakPolarHBondContact OG-CG 3.41Å; S58-E60 PolarHBondContact OG-OE1 2.99Å; S58-T61 PolarHBondContact O-N 3.03Å | ||
| 59 | W | 52.8 | Low | 66 | Low | 197 Ų | 197 | 95.2 Ų | 95.2 | 75% | 0.746 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -55.5 | -13.4 | -172.1 | 54.4 | -90.9 | 0 | 0 | 0 | 114.5 | H57 T61 L63 | H57-W59 PolarHBondContact O-N 3.49Å; W59-T61 VanDerWaalsContact C-N 3.32Å; W59-L63 HydrophobicContact CE3-CD1 3.75Å; W59-L63 HydrophobicContact CZ3-CD1 3.91Å; W59-L63 PolarHBondContact O-N 3.18Å |
| 60 | E | 58 | Low | 64 | Low | 123 Ų | 123 | 99.8 Ų | 99.8 | 58% | 0.575 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.2 | -32.8 | 170.4 | 68.2 | -161 | 141.1 | 0 | 0 | 113.1 | S58 S64 | S58-E60 VanDerWaalsContact CB-OE1 3.28Å; S58-E60 WeakPolarHBondContact CB-OE1 3.24Å; S58-E60 PolarHBondContact O-N 3.27Å; S58-E60 VanDerWaalsContact OG-CG 3.27Å; S58-E60 WeakPolarHBondContact OG-CG 3.41Å; S58-E60 PolarHBondContact OG-OE1 2.99Å; E60-S64 PolarHBondContact O-N 3.3Å |
| 61 | T | 62.6 | Low | 62.3 | Low | 70 Ų | 70 | 103.2 Ų | 103.2 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -74.3 | -36.9 | -178.6 | -55 | 0 | 0 | 0 | 0 | 111.7 | S58 W59 S64 L65 | S58-T61 PolarHBondContact O-N 3.03Å; W59-T61 VanDerWaalsContact C-N 3.32Å; T61-S64 PolarHBondContact O-N 3.31Å; T61-L65 HydrophobicContact CG2-CD1 4.39Å; T61-L65 WeakPolarHBondContact O-CG 3.27Å; T61-L65 PolarHBondContact O-N 2.56Å; T61-L65 VanDerWaalsContact O-N 3.12Å |
| 62 | L | 60 | Low | 60.5 | Low | 96 Ų | 96 | 99.3 Ų | 99.3 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68 | -37.6 | 177.9 | -67.4 | 172.5 | 0 | 0 | 0 | 112.2 | S64 L65 D66 | L62-S64 VanDerWaalsContact C-N 3.34Å; L62-L65 PolarHBondContact O-N 3.16Å; L62-D66 PolarHBondContact O-N 2.79Å |
| 63 | L | 59.8 | Low | 58.5 | Low | 100 Ų | 100 | 102.6 Ų | 102.6 | 52% | 0.524 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.1 | -35.8 | 174.6 | -77.4 | 163.8 | 0 | 0 | 0 | 112.3 | W59 S67 | W59-L63 HydrophobicContact CE3-CD1 3.75Å; W59-L63 HydrophobicContact CZ3-CD1 3.91Å; W59-L63 PolarHBondContact O-N 3.18Å; L63-S67 WeakPolarHBondContact O-CB 3.47Å; L63-S67 PolarHBondContact O-N 3.09Å; L63-S67 VanDerWaalsContact O-N 3.1Å; L63-S67 PolarHBondContact O-OG 2.9Å |
| 64 | S | 58.5 | Low | 57.4 | Low | 89 Ų | 89 | 104.8 Ų | 104.8 | 62% | 0.622 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.1 | -35.9 | 176.1 | -162.9 | 0 | 0 | 0 | 0 | 112.1 | E60 T61 L62 G68 | E60-S64 PolarHBondContact O-N 3.3Å; T61-S64 PolarHBondContact O-N 3.31Å; L62-S64 VanDerWaalsContact C-N 3.34Å; S64-G68 PolarHBondContact O-N 3.48Å |
| 65 | L | 64.9 | Low | 56.6 | Low | 116 Ų | 116 | 109.8 Ų | 109.8 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.6 | -40.7 | 175.1 | -71.3 | 167.2 | 0 | 0 | 0 | 112.9 | T61 L62 S67 G68 | T61-L65 HydrophobicContact CG2-CD1 4.39Å; T61-L65 WeakPolarHBondContact O-CG 3.27Å; T61-L65 PolarHBondContact O-N 2.56Å; T61-L65 VanDerWaalsContact O-N 3.12Å; L62-L65 PolarHBondContact O-N 3.16Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.35Å; L65-G68 PolarHBondContact O-N 2.96Å |
| 66 | D | 62.5 | Low | 56.1 | Low | 117 Ų | 117 | 113.4 Ų | 113.4 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.9 | -38.9 | 175.3 | -172.6 | 59 | 0 | 0 | 0 | 111.6 | L62 G68 S69 | L62-D66 PolarHBondContact O-N 2.79Å; D66-G68 VanDerWaalsContact C-N 3.26Å; D66-G68 PolarHBondContact O-N 3.15Å; D66-S69 PolarHBondContact O-N 3.32Å |
| 67 | S | 59.5 | Low | 55.4 | Low | 91 Ų | 91 | 115.5 Ų | 115.5 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.3 | -23.7 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 113.8 | L63 L65 | L63-S67 WeakPolarHBondContact O-CB 3.47Å; L63-S67 PolarHBondContact O-N 3.09Å; L63-S67 VanDerWaalsContact O-N 3.1Å; L63-S67 PolarHBondContact O-OG 2.9Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.35Å |
| 68 | G | 59.2 | Low | 54.8 | Low | 59 Ų | 59 | 116.8 Ų | 116.8 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -85.4 | -13.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | S64 L65 D66 | S64-G68 PolarHBondContact O-N 3.48Å; L65-G68 PolarHBondContact O-N 2.96Å; D66-G68 VanDerWaalsContact C-N 3.26Å; D66-G68 PolarHBondContact O-N 3.15Å |
| 69 | S | 56.9 | Low | 54 | Low | 91 Ų | 91 | 120.6 Ų | 120.6 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -8.7 | -172.1 | -164.2 | 0 | 0 | 0 | 0 | 114.2 | D66 H71 | D66-S69 PolarHBondContact O-N 3.32Å; S69-H71 VanDerWaalsContact C-N 3.35Å; S69-H71 PolarHBondContact O-N 3.45Å |
| 70 | L | 49.3 | Very low | 54.4 | Low | 154 Ų | 154 | 116.3 Ų | 116.3 | 81% | 0.806 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 9.2 | -177.3 | -63.4 | 179.7 | 0 | 0 | 0 | 115.1 | ||
| 71 | H | 54.8 | Low | 53.5 | Low | 185 Ų | 185 | 125.6 Ų | 125.6 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -100.4 | 98.4 | 163.5 | -105.9 | 72.3 | 0 | 0 | 0 | 109.5 | S69 | S69-H71 VanDerWaalsContact C-N 3.35Å; S69-H71 PolarHBondContact O-N 3.45Å |
| 72 | G | 49.4 | Very low | 53.1 | Low | 65 Ų | 65 | 128.4 Ų | 128.4 | 67% | 0.67 | 74% | 0.736 | S | S | * | * | trans | -61 | 150.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | P74 | G72-P74 WeakPolarHBondContact O-CD 3.46Š| ||
| 73 | S | 40.8 | Very low | 52.7 | Low | 121 Ų | 121 | 130.1 Ų | 130.1 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -91.2 | 113.7 | 161.2 | -69.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 74 | P | 53.8 | Low | 52.3 | Low | 114 Ų | 114 | 131.7 Ų | 131.7 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -76.4 | 134.3 | 154.6 | 31.4 | -28.2 | 0 | 0 | 0 | 109.1 | G72 | G72-P74 WeakPolarHBondContact O-CD 3.46Š| ||
| 75 | E | 50.5 | Low | 52 | Low | 191 Ų | 191 | 134.2 Ų | 134.2 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 29 | 111.9 | 165.8 | -82.8 | 156.9 | 118.7 | 0 | 0 | 119.2 | ||||
| 76 | L | 54.3 | Low | 51.2 | Low | 159 Ų | 159 | 135.4 Ų | 135.4 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -49.3 | 141 | 170.6 | -48.6 | 170 | 0 | 0 | 0 | 111.9 | ||||
| 77 | E | 44.8 | Very low | 50.4 | Low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -161.9 | 118.8 | 140 | -94.2 | -45.5 | 128 | 0 | 0 | 111.6 | ||||
| 78 | A | 46.1 | Very low | 49.8 | Very low | 89 Ų | 89 | 139.9 Ų | 139.9 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | 56.5 | 114.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 79 | C | 35.8 | Very low | 49 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -39.2 | 151.4 | 149.3 | -141 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 80 | P | 60.4 | Low | 48.4 | Very low | 108 Ų | 108 | 150.7 Ų | 150.7 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | cis | -144.5 | -174.9 | 15.7 | 35.6 | -11.9 | 0 | 0 | 0 | 116 | ||||
| 81 | R | 40.6 | Very low | 48.3 | Very low | 317 Ų | 317 | 150.4 Ų | 150.4 | 100% | 1.196 | 83% | 0.832 | S | S | * | * | trans | 95.1 | 0 | 157.8 | -62.7 | -150.3 | 178.2 | 173 | 1.2 | 118.9 |
Retrieved 81 of 81 residues in 38.5 ms
(Link to these results)