| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.8 | Very low | 58.2 | Low | 232 Ų | 232 | 130.8 Ų | 130.8 | 100% | 1.143 | 71% | 0.711 | S | S | * | * | 0 | 70.9 | 0 | -85.4 | 173.1 | 169.4 | 0 | 0 | 105.4 | |||||
| 2 | D | 43.4 | Very low | 60.3 | Low | 162 Ų | 162 | 133.3 Ų | 133.3 | 87% | 0.866 | 71% | 0.71 | S | S | * | * | trans | -136.9 | 72 | -161.6 | -58.8 | -85.3 | 0 | 0 | 0 | 109.1 | ||||
| 3 | D | 50.9 | Low | 62.2 | Low | 125 Ų | 125 | 126 Ų | 126 | 67% | 0.668 | 67% | 0.67 | S | S | * | * | trans | -150.4 | 69.1 | 167.8 | -167 | -116.1 | 0 | 0 | 0 | 110 | H6 | D3-H6 IonicContact OD2-ND1 3.99Š| ||
| 4 | F | 54.2 | Low | 64.1 | Low | 204 Ų | 204 | 123.2 Ų | 123.2 | 90% | 0.895 | 66% | 0.655 | S | S | * | * | trans | -139.6 | 19.6 | 170.2 | -121.9 | -85.4 | 0 | 0 | 0 | 113 | ||||
| 5 | S | 53 | Low | 65.8 | Low | 106 Ų | 106 | 120.5 Ų | 120.5 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | trans | -108.8 | 34.8 | -174.3 | -154.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 6 | H | 61.7 | Low | 67.4 | Low | 149 Ų | 149 | 122.4 Ų | 122.4 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | trans | -102.1 | -6 | 176 | -82.7 | 96.1 | 0 | 0 | 0 | 114.6 | D3 | D3-H6 IonicContact OD2-ND1 3.99Š| ||
| 7 | S | 60.8 | Low | 68.9 | Low | 100 Ų | 100 | 121 Ų | 121 | 70% | 0.699 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -77 | -24.5 | 179.9 | -52.8 | 0 | 0 | 0 | 0 | 113.7 | D9 | S7-D9 PolarHBondContact O-N 3.47Š|
| 8 | A | 59.6 | Low | 70.1 | Confident | 73 Ų | 73 | 119.4 Ų | 119.4 | 60% | 0.603 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -77.1 | -17.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 9 | D | 67.9 | Low | 71.3 | Confident | 83 Ų | 83 | 118.3 Ų | 118.3 | 44% | 0.444 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -95.5 | -6.9 | -173.5 | -116.2 | -83.1 | 0 | 0 | 0 | 114.5 | S7 N11 K12 | S7-D9 PolarHBondContact O-N 3.47Å; D9-N11 PolarHBondContact O-N 3Å; D9-K12 PolarHBondContact O-N 2.91Å; D9-K12 IonicContact OD2-NZ 3.59Å |
| 10 | M | 71 | Confident | 72.4 | Confident | 66 Ų | 66 | 116.4 Ų | 116.4 | 33% | 0.325 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.1 | -30.9 | 176 | -71.6 | -61.8 | -67.1 | 0 | 0 | 112.9 | M13 R18 L21 | M10-M13 HydrophobicContact CE-CE 3.72Å; M10-M13 HydrophobicContact SD-CE 3.41Å; M10-M13 WeakPolarHBondContact SD-CE 3.37Å; M10-M13 HydrophobicContact SD-SD 4.49Å; M10-R18 PolarHBondContact O-NE 2.88Å; M10-R18 PolarHBondContact O-NH2 3.19Å; M10-L21 HydrophobicContact CE-CD2 3.98Å; M10-L21 HydrophobicContact SD-CD2 3.23Å; M10-L21 WeakPolarHBondContact SD-CD2 3.34Å |
| 11 | N | 79.1 | Confident | 73.4 | Confident | 139 Ų | 139 | 113 Ų | 113 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -16.4 | -179.2 | -77.9 | -35.1 | 0 | 0 | 0 | 115.2 | D9 R18 | D9-N11 PolarHBondContact O-N 3Å; N11-R18 VanDerWaalsContact CA-NH2 3.35Å; N11-R18 PolarHBondContact OD1-NH2 3.49Å |
| 12 | K | 83.8 | Confident | 76 | Confident | 161 Ų | 161 | 104.7 Ų | 104.7 | 70% | 0.7 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -9.7 | 179.8 | -62.7 | -179.4 | -168.6 | 159.3 | 0 | 113.6 | D9 | D9-K12 PolarHBondContact O-N 2.91Å; D9-K12 IonicContact OD2-NZ 3.59Å |
| 13 | M | 84 | Confident | 78.4 | Confident | 38 Ų | 38 | 99.7 Ų | 99.7 | 19% | 0.187 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -79.2 | 142.3 | 178.8 | -64.9 | -173.9 | -35.4 | 0 | 0 | 111.4 | M10 Q17 R18 L21 | M10-M13 HydrophobicContact CE-CE 3.72Å; M10-M13 HydrophobicContact SD-CE 3.41Å; M10-M13 WeakPolarHBondContact SD-CE 3.37Å; M10-M13 HydrophobicContact SD-SD 4.49Å; M13-Q17 HydrophobicContact CB-CB 3.88Å; M13-Q17 HydrophobicContact CG-CB 4.34Å; M13-Q17 HydrophobicContact SD-CB 4.47Å; M13-R18 HydrophobicContact CB-CG 3.82Å; M13-R18 HydrophobicContact CE-CB 4.19Å; M13-R18 HydrophobicContact CE-CG 3.48Å; M13-R18 VanDerWaalsContact CE-CG 3.48Å; M13-L21 HydrophobicContact CE-CB 4.42Å; M13-L21 HydrophobicContact CE-CD2 3.75Å; M13-L21 HydrophobicContact SD-CD2 4.16Å |
| 14 | D | 89.4 | Confident | 80.3 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 47% | 0.465 | 53% | 0.53 | S | S | . | . | trans | -67.9 | 167.2 | 169.5 | 72.4 | 62.9 | 0 | 0 | 0 | 111.7 | K16 Q17 R18 | D14-K16 PolarHBondContact O-N 3.22Å; D14-K16 WeakPolarHBondContact OD1-CA 3.26Å; D14-K16 VanDerWaalsContact OD1-CB 3.26Å; D14-K16 WeakPolarHBondContact OD1-CB 3.31Å; D14-K16 PolarHBondContact OD1-N 2.78Å; D14-Q17 PolarHBondContact O-N 3.13Å; D14-Q17 PolarHBondContact OD1-N 3.26Å; D14-Q17 WeakPolarHBondContact OD2-CG 3.37Å; D14-Q17 PolarHBondContact OD2-OE1 2.87Å; D14-R18 WeakPolarHBondContact O-CG 3.47Å; D14-R18 PolarHBondContact O-N 3.29Å | ||
| 15 | A | 89.7 | Confident | 82.2 | Confident | 83 Ų | 83 | 95 Ų | 95 | 69% | 0.686 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.7 | -33.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D19 | A15-D19 PolarHBondContact O-N 3.03Å; A15-D19 VanDerWaalsContact O-N 3.11Å |
| 16 | K | 91.8 | Very high | 84.2 | Confident | 151 Ų | 151 | 96.1 Ų | 96.1 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73.7 | -45.4 | 179.2 | -175.3 | -176.8 | 177.1 | -177.3 | 0 | 110.9 | D14 R18 D19 D20 | D14-K16 PolarHBondContact O-N 3.22Å; D14-K16 WeakPolarHBondContact OD1-CA 3.26Å; D14-K16 VanDerWaalsContact OD1-CB 3.26Å; D14-K16 WeakPolarHBondContact OD1-CB 3.31Å; D14-K16 PolarHBondContact OD1-N 2.78Å; K16-R18 PolarHBondContact O-N 3.47Å; K16-D19 PolarHBondContact O-N 2.86Å; K16-D20 PolarHBondContact O-N 3.34Å |
| 17 | Q | 92.5 | Very high | 85.8 | Confident | 98 Ų | 98 | 95.3 Ų | 95.3 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.5 | -38 | 174.9 | -70.8 | 179.3 | -60.2 | 0 | 0 | 112.2 | M13 D14 L21 | M13-Q17 HydrophobicContact CB-CB 3.88Å; M13-Q17 HydrophobicContact CG-CB 4.34Å; M13-Q17 HydrophobicContact SD-CB 4.47Å; D14-Q17 PolarHBondContact O-N 3.13Å; D14-Q17 PolarHBondContact OD1-N 3.26Å; D14-Q17 WeakPolarHBondContact OD2-CG 3.37Å; D14-Q17 PolarHBondContact OD2-OE1 2.87Å; Q17-L21 WeakPolarHBondContact O-CB 3.25Å; Q17-L21 PolarHBondContact O-N 2.9Å |
| 18 | R | 91.5 | Very high | 87.3 | Confident | 92 Ų | 92 | 97.2 Ų | 97.2 | 35% | 0.347 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -47 | 174.6 | -73.9 | 171.2 | 149.2 | -178.3 | -14.9 | 112.5 | M10 N11 M13 D14 K16 L21 V22 | M10-R18 PolarHBondContact O-NE 2.88Å; M10-R18 PolarHBondContact O-NH2 3.19Å; N11-R18 VanDerWaalsContact CA-NH2 3.35Å; N11-R18 PolarHBondContact OD1-NH2 3.49Å; M13-R18 HydrophobicContact CB-CG 3.82Å; M13-R18 HydrophobicContact CE-CB 4.19Å; M13-R18 HydrophobicContact CE-CG 3.48Å; M13-R18 VanDerWaalsContact CE-CG 3.48Å; D14-R18 WeakPolarHBondContact O-CG 3.47Å; D14-R18 PolarHBondContact O-N 3.29Å; K16-R18 PolarHBondContact O-N 3.47Å; R18-L21 PolarHBondContact O-N 3.47Å; R18-V22 VanDerWaalsContact O-CG2 3.32Å; R18-V22 WeakPolarHBondContact O-CG2 3.31Å; R18-V22 PolarHBondContact O-N 2.86Å |
| 19 | D | 92.5 | Very high | 89.1 | Confident | 99 Ų | 99 | 97.1 Ų | 97.1 | 53% | 0.529 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 179.5 | -171.7 | 61.1 | 0 | 0 | 0 | 112.1 | A15 K16 L21 V22 T23 | A15-D19 PolarHBondContact O-N 3.03Å; A15-D19 VanDerWaalsContact O-N 3.11Å; K16-D19 PolarHBondContact O-N 2.86Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 3.47Å; D19-V22 PolarHBondContact O-N 3.15Å; D19-T23 WeakPolarHBondContact O-CB 3.02Å; D19-T23 PolarHBondContact O-N 3.39Å; D19-T23 PolarHBondContact O-OG1 3.45Å |
| 20 | D | 93.1 | Very high | 90.3 | Very high | 80 Ų | 80 | 97.6 Ų | 97.6 | 43% | 0.428 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 174.9 | -75.3 | -20.8 | 0 | 0 | 0 | 110.9 | K16 T23 R24 | K16-D20 PolarHBondContact O-N 3.34Å; D20-T23 PolarHBondContact O-N 3.33Å; D20-R24 WeakPolarHBondContact O-CG 3.25Å; D20-R24 PolarHBondContact O-N 3.36Å |
| 21 | L | 92.4 | Very high | 91.5 | Very high | 46 Ų | 46 | 100.1 Ų | 100.1 | 24% | 0.241 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 177.3 | -178.3 | 66.1 | 0 | 0 | 0 | 112.2 | M10 M13 Q17 R18 D19 T23 R24 V25 | M10-L21 HydrophobicContact CE-CD2 3.98Å; M10-L21 HydrophobicContact SD-CD2 3.23Å; M10-L21 WeakPolarHBondContact SD-CD2 3.34Å; M13-L21 HydrophobicContact CE-CB 4.42Å; M13-L21 HydrophobicContact CE-CD2 3.75Å; M13-L21 HydrophobicContact SD-CD2 4.16Å; Q17-L21 WeakPolarHBondContact O-CB 3.25Å; Q17-L21 PolarHBondContact O-N 2.9Å; R18-L21 PolarHBondContact O-N 3.47Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 3.47Å; L21-T23 PolarHBondContact O-N 3.38Å; L21-R24 PolarHBondContact O-N 3.19Å; L21-R24 VanDerWaalsContact O-N 3.15Å; L21-V25 HydrophobicContact CD1-CG2 4.28Å; L21-V25 HydrophobicContact CG-CG2 4.31Å; L21-V25 WeakPolarHBondContact O-CG2 3.27Å; L21-V25 PolarHBondContact O-N 2.04Å |
| 22 | V | 93.3 | Very high | 92.3 | Very high | 57 Ų | 57 | 95.9 Ų | 95.9 | 35% | 0.345 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | 177.2 | 167.1 | 0 | 0 | 0 | 0 | 110.5 | R18 D19 V25 K26 | R18-V22 VanDerWaalsContact O-CG2 3.32Å; R18-V22 WeakPolarHBondContact O-CG2 3.31Å; R18-V22 PolarHBondContact O-N 2.86Å; D19-V22 PolarHBondContact O-N 3.15Å; V22-V25 PolarHBondContact O-N 3.44Å; V22-K26 HydrophobicContact CG1-CD 4.09Å; V22-K26 HydrophobicContact CG1-CG 4.45Å; V22-K26 WeakPolarHBondContact O-CB 3.07Å; V22-K26 VanDerWaalsContact O-CG 3.29Å; V22-K26 WeakPolarHBondContact O-CG 3.18Å; V22-K26 PolarHBondContact O-N 2.95Å |
| 23 | T | 94.3 | Very high | 92.8 | Very high | 57 Ų | 57 | 92.5 Ų | 92.5 | 35% | 0.35 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.1 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | D19 D20 L21 V25 K26 Q27 | D19-T23 WeakPolarHBondContact O-CB 3.02Å; D19-T23 PolarHBondContact O-N 3.39Å; D19-T23 PolarHBondContact O-OG1 3.45Å; D20-T23 PolarHBondContact O-N 3.33Å; L21-T23 PolarHBondContact O-N 3.38Å; T23-V25 PolarHBondContact O-N 3.42Å; T23-K26 PolarHBondContact O-N 3.22Å; T23-Q27 WeakPolarHBondContact O-CG 3.44Å; T23-Q27 PolarHBondContact O-N 2.82Å; T23-Q27 VanDerWaalsContact O-N 3.08Å |
| 24 | R | 91.3 | Very high | 93.4 | Very high | 159 Ų | 159 | 94.1 Ų | 94.1 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 175.1 | -70.3 | -159.7 | -61.1 | -127.9 | 3.7 | 112.5 | D20 L21 K26 Q27 Q28 | D20-R24 WeakPolarHBondContact O-CG 3.25Å; D20-R24 PolarHBondContact O-N 3.36Å; L21-R24 PolarHBondContact O-N 3.19Å; L21-R24 VanDerWaalsContact O-N 3.15Å; R24-K26 PolarHBondContact O-N 3.48Å; R24-Q27 PolarHBondContact O-N 2.71Å; R24-Q28 PolarHBondContact O-N 3.43Å |
| 25 | V | 94.9 | Very high | 93.8 | Very high | 70 Ų | 70 | 95.3 Ų | 95.3 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 177.5 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | L21 V22 T23 Q27 Q28 V29 | L21-V25 HydrophobicContact CD1-CG2 4.28Å; L21-V25 HydrophobicContact CG-CG2 4.31Å; L21-V25 WeakPolarHBondContact O-CG2 3.27Å; L21-V25 PolarHBondContact O-N 2.04Å; V22-V25 PolarHBondContact O-N 3.44Å; T23-V25 PolarHBondContact O-N 3.42Å; V25-Q27 VanDerWaalsContact C-N 3.33Å; V25-Q27 PolarHBondContact O-N 3.42Å; V25-Q28 PolarHBondContact O-N 3.32Å; V25-V29 HydrophobicContact CG1-CG2 4.24Å; V25-V29 VanDerWaalsContact O-CG2 3.3Å; V25-V29 WeakPolarHBondContact O-CG2 3.26Å; V25-V29 PolarHBondContact O-N 3.39Å |
| 26 | K | 94.3 | Very high | 94.1 | Very high | 131 Ų | 131 | 96.7 Ų | 96.7 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.5 | -45.2 | 176.3 | -76.5 | 171.7 | 178.9 | 173.2 | 0 | 112 | V22 T23 R24 V29 V30 | V22-K26 HydrophobicContact CG1-CD 4.09Å; V22-K26 HydrophobicContact CG1-CG 4.45Å; V22-K26 WeakPolarHBondContact O-CB 3.07Å; V22-K26 VanDerWaalsContact O-CG 3.29Å; V22-K26 WeakPolarHBondContact O-CG 3.18Å; V22-K26 PolarHBondContact O-N 2.95Å; T23-K26 PolarHBondContact O-N 3.22Å; R24-K26 PolarHBondContact O-N 3.48Å; K26-V29 PolarHBondContact O-N 2.88Å; K26-V30 WeakPolarHBondContact O-CG2 3.07Å; K26-V30 PolarHBondContact O-N 3.5Å |
| 27 | Q | 94.3 | Very high | 94.4 | Very high | 131 Ų | 131 | 92.6 Ų | 92.6 | 61% | 0.612 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 177.6 | -71.4 | 174.9 | -18.8 | 0 | 0 | 111.9 | T23 R24 V25 V30 L31 | T23-Q27 WeakPolarHBondContact O-CG 3.44Å; T23-Q27 PolarHBondContact O-N 2.82Å; T23-Q27 VanDerWaalsContact O-N 3.08Å; R24-Q27 PolarHBondContact O-N 2.71Å; V25-Q27 VanDerWaalsContact C-N 3.33Å; V25-Q27 PolarHBondContact O-N 3.42Å; Q27-V30 PolarHBondContact O-N 2.92Å; Q27-L31 PolarHBondContact O-N 3.24Å |
| 28 | Q | 94 | Very high | 94.6 | Very high | 140 Ų | 140 | 92.8 Ų | 92.8 | 65% | 0.654 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 178.7 | -171.6 | 176.1 | 3 | 0 | 0 | 112.2 | R24 V25 L31 A32 | R24-Q28 PolarHBondContact O-N 3.43Å; V25-Q28 PolarHBondContact O-N 3.32Å; Q28-L31 PolarHBondContact O-N 2.84Å; Q28-A32 WeakPolarHBondContact O-CB 3.12Å; Q28-A32 PolarHBondContact O-N 3.21Å |
| 29 | V | 95.6 | Very high | 94.9 | Very high | 71 Ų | 71 | 94 Ų | 94 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | V25 K26 L31 A32 N33 | V25-V29 HydrophobicContact CG1-CG2 4.24Å; V25-V29 VanDerWaalsContact O-CG2 3.3Å; V25-V29 WeakPolarHBondContact O-CG2 3.26Å; V25-V29 PolarHBondContact O-N 3.39Å; K26-V29 PolarHBondContact O-N 2.88Å; V29-L31 PolarHBondContact O-N 2.04Å; V29-A32 PolarHBondContact O-N 3.46Å; V29-N33 WeakPolarHBondContact O-CB 3.4Å; V29-N33 PolarHBondContact O-N 3.05Å; V29-N33 PolarHBondContact O-OD1 2.92Å |
| 30 | V | 93.6 | Very high | 95.2 | Very high | 93 Ų | 93 | 92 Ų | 92 | 56% | 0.564 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.3 | -47 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | K26 Q27 A32 N33 V34 | K26-V30 WeakPolarHBondContact O-CG2 3.07Å; K26-V30 PolarHBondContact O-N 3.5Å; Q27-V30 PolarHBondContact O-N 2.92Å; V30-A32 PolarHBondContact O-N 2.83Å; V30-N33 PolarHBondContact O-N 3.5Å; V30-V34 WeakPolarHBondContact O-CG2 3.07Å; V30-V34 PolarHBondContact O-N 2.99Å |
| 31 | L | 95.6 | Very high | 95.4 | Very high | 120 Ų | 120 | 89 Ų | 89 | 63% | 0.628 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.8 | -45 | 179 | -178.2 | 62.9 | 0 | 0 | 0 | 112 | Q27 Q28 V29 V34 Q35 | Q27-L31 PolarHBondContact O-N 3.24Å; Q28-L31 PolarHBondContact O-N 2.84Å; V29-L31 PolarHBondContact O-N 2.04Å; L31-V34 PolarHBondContact O-N 3.47Å; L31-Q35 WeakPolarHBondContact O-CB 3.28Å; L31-Q35 PolarHBondContact O-N 3.01Å |
| 32 | A | 96.3 | Very high | 95.7 | Very high | 50 Ų | 50 | 89.7 Ų | 89.7 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q28 V29 V30 V34 Q35 E36 | Q28-A32 WeakPolarHBondContact O-CB 3.12Å; Q28-A32 PolarHBondContact O-N 3.21Å; V29-A32 PolarHBondContact O-N 3.46Å; V30-A32 PolarHBondContact O-N 2.83Å; A32-V34 VanDerWaalsContact C-N 3.35Å; A32-V34 PolarHBondContact O-N 2.92Å; A32-Q35 WeakPolarHBondContact O-CB 3.15Å; A32-Q35 PolarHBondContact O-N 2.94Å; A32-E36 PolarHBondContact O-N 3.35Å |
| 33 | N | 95.1 | Very high | 95.9 | Very high | 90 Ų | 90 | 90.6 Ų | 90.6 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 178.1 | -69.4 | -1.5 | 0 | 0 | 0 | 112 | V29 V30 L37 | V29-N33 WeakPolarHBondContact O-CB 3.4Å; V29-N33 PolarHBondContact O-N 3.05Å; V29-N33 PolarHBondContact O-OD1 2.92Å; V30-N33 PolarHBondContact O-N 3.5Å; N33-L37 WeakPolarHBondContact O-CB 3.34Å; N33-L37 PolarHBondContact O-N 3.32Å |
| 34 | V | 96.1 | Very high | 96.1 | Very high | 72 Ų | 72 | 92.7 Ų | 92.7 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V30 L31 A32 L37 L38 | V30-V34 WeakPolarHBondContact O-CG2 3.07Å; V30-V34 PolarHBondContact O-N 2.99Å; L31-V34 PolarHBondContact O-N 3.47Å; A32-V34 VanDerWaalsContact C-N 3.35Å; A32-V34 PolarHBondContact O-N 2.92Å; V34-L37 PolarHBondContact O-N 2.69Å; V34-L38 HydrophobicContact CG1-CD1 4.14Å; V34-L38 HydrophobicContact CG1-CG 4.48Å; V34-L38 WeakPolarHBondContact O-CG 3.46Å; V34-L38 PolarHBondContact O-N 2.89Å |
| 35 | Q | 97.6 | Very high | 96.4 | Very high | 112 Ų | 112 | 85.2 Ų | 85.2 | 52% | 0.523 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 176.9 | -176.7 | 175.1 | -4.6 | 0 | 0 | 111.8 | L31 A32 L37 L38 Q39 | L31-Q35 WeakPolarHBondContact O-CB 3.28Å; L31-Q35 PolarHBondContact O-N 3.01Å; A32-Q35 WeakPolarHBondContact O-CB 3.15Å; A32-Q35 PolarHBondContact O-N 2.94Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; Q35-L38 PolarHBondContact O-N 3.48Å; Q35-Q39 WeakPolarHBondContact O-CG 3.05Å; Q35-Q39 PolarHBondContact O-N 2.71Å |
| 36 | E | 97.3 | Very high | 96.6 | Very high | 111 Ų | 111 | 85.9 Ų | 85.9 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 175.5 | -179.7 | 177.1 | -150.7 | 0 | 0 | 111.7 | A32 L38 Q39 N40 | A32-E36 PolarHBondContact O-N 3.35Å; E36-L38 PolarHBondContact O-N 3.32Å; E36-Q39 PolarHBondContact O-N 3.06Å; E36-N40 WeakPolarHBondContact CG-ND2 3.3Å; E36-N40 WeakPolarHBondContact O-CB 3.32Å; E36-N40 PolarHBondContact O-N 3.32Å; E36-N40 PolarHBondContact O-ND2 3.33Å |
| 37 | L | 96.6 | Very high | 96.7 | Very high | 65 Ų | 65 | 86.8 Ų | 86.8 | 34% | 0.34 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 175.4 | 178.8 | 63.9 | 0 | 0 | 0 | 111.2 | N33 V34 Q35 Q39 N40 I41 Y72 | N33-L37 WeakPolarHBondContact O-CB 3.34Å; N33-L37 PolarHBondContact O-N 3.32Å; V34-L37 PolarHBondContact O-N 2.69Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; L37-Q39 PolarHBondContact O-N 3.45Å; L37-N40 PolarHBondContact O-N 3.22Å; L37-I41 HydrophobicContact CD1-CD1 3.97Å; L37-I41 HydrophobicContact CD1-CG1 4.33Å; L37-I41 HydrophobicContact CG-CD1 3.87Å; L37-I41 WeakPolarHBondContact O-CB 3.4Å; L37-I41 VanDerWaalsContact O-CG1 3.31Å; L37-I41 WeakPolarHBondContact O-CG1 3.19Å; L37-I41 PolarHBondContact O-N 2.93Å; L37-Y72 HydrophobicContact CD1-CD1 4.44Å; L37-Y72 HydrophobicContact CD1-CE1 3.9Å |
| 38 | L | 97.7 | Very high | 96.9 | Very high | 102 Ų | 102 | 86 Ų | 86 | 53% | 0.534 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 178.1 | -71.9 | 172.6 | 0 | 0 | 0 | 112.2 | V34 Q35 E36 S42 | V34-L38 HydrophobicContact CG1-CD1 4.14Å; V34-L38 HydrophobicContact CG1-CG 4.48Å; V34-L38 WeakPolarHBondContact O-CG 3.46Å; V34-L38 PolarHBondContact O-N 2.89Å; Q35-L38 PolarHBondContact O-N 3.48Å; E36-L38 PolarHBondContact O-N 3.32Å; L38-S42 VanDerWaalsContact O-CB 3.28Å; L38-S42 WeakPolarHBondContact O-CB 3.34Å; L38-S42 PolarHBondContact O-N 2.78Å; L38-S42 PolarHBondContact O-OG 3.5Å |
| 39 | Q | 98.1 | Very high | 97.1 | Very high | 117 Ų | 117 | 79.7 Ų | 79.7 | 55% | 0.547 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 175.4 | -75.6 | 176.6 | -5.9 | 0 | 0 | 111.5 | Q35 E36 L37 S42 D43 | Q35-Q39 WeakPolarHBondContact O-CG 3.05Å; Q35-Q39 PolarHBondContact O-N 2.71Å; E36-Q39 PolarHBondContact O-N 3.06Å; L37-Q39 PolarHBondContact O-N 3.45Å; Q39-S42 PolarHBondContact O-N 2.96Å; Q39-D43 WeakPolarHBondContact O-CB 3.28Å; Q39-D43 PolarHBondContact O-N 2.92Å |
| 40 | N | 98 | Very high | 97.2 | Very high | 58 Ų | 58 | 78 Ų | 78 | 31% | 0.31 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 179 | -80.6 | -51.5 | 0 | 0 | 0 | 112.9 | E36 L37 S42 K44 Y72 | E36-N40 WeakPolarHBondContact CG-ND2 3.3Å; E36-N40 WeakPolarHBondContact O-CB 3.32Å; E36-N40 PolarHBondContact O-N 3.32Å; E36-N40 PolarHBondContact O-ND2 3.33Å; L37-N40 PolarHBondContact O-N 3.22Å; N40-S42 VanDerWaalsContact C-N 3.35Å; N40-K44 WeakPolarHBondContact O-CB 3.29Å; N40-K44 WeakPolarHBondContact O-CG 3.32Å; N40-K44 PolarHBondContact O-N 3.02Å; N40-Y72 WeakPolarHBondContact CB-OH 3Å |
| 41 | I | 98.1 | Very high | 97.3 | Very high | 17 Ų | 17 | 82.8 Ų | 82.8 | 9% | 0.087 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 174.4 | -74.1 | 169.8 | 0 | 0 | 0 | 109.8 | L37 D43 K44 C45 V69 Y72 I73 | L37-I41 HydrophobicContact CD1-CD1 3.97Å; L37-I41 HydrophobicContact CD1-CG1 4.33Å; L37-I41 HydrophobicContact CG-CD1 3.87Å; L37-I41 WeakPolarHBondContact O-CB 3.4Å; L37-I41 VanDerWaalsContact O-CG1 3.31Å; L37-I41 WeakPolarHBondContact O-CG1 3.19Å; L37-I41 PolarHBondContact O-N 2.93Å; I41-D43 PolarHBondContact O-N 2.93Å; I41-K44 PolarHBondContact O-N 3.32Å; I41-C45 WeakPolarHBondContact O-CB 3.17Å; I41-C45 PolarHBondContact O-N 2.95Å; I41-C45 PolarHBondContact O-SG 3.31Å; I41-V69 HydrophobicContact CG2-CB 4.47Å; I41-V69 HydrophobicContact CG2-CG1 4.44Å; I41-V69 HydrophobicContact CG2-CG2 3.69Å; I41-Y72 HydrophobicContact CB-CD1 4.5Å; I41-Y72 HydrophobicContact CD1-CD1 3.96Å; I41-Y72 HydrophobicContact CD1-CE1 4.4Å; I41-Y72 HydrophobicContact CG1-CD1 3.25Å; I41-Y72 HydrophobicContact CG1-CE1 3.56Å; I41-Y72 HydrophobicContact CG1-CG 4Å; I41-I73 HydrophobicContact CD1-CD1 4.42Å; I41-I73 HydrophobicContact CD1-CG1 4.12Å |
| 42 | S | 97.7 | Very high | 97.2 | Very high | 60 Ų | 60 | 85.2 Ų | 85.2 | 42% | 0.42 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.6 | -50.7 | -179.4 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | L38 Q39 N40 K44 L46 | L38-S42 VanDerWaalsContact O-CB 3.28Å; L38-S42 WeakPolarHBondContact O-CB 3.34Å; L38-S42 PolarHBondContact O-N 2.78Å; L38-S42 PolarHBondContact O-OG 3.5Å; Q39-S42 PolarHBondContact O-N 2.96Å; N40-S42 VanDerWaalsContact C-N 3.35Å; S42-K44 PolarHBondContact O-N 3.45Å; S42-L46 WeakPolarHBondContact O-CB 3.46Å; S42-L46 WeakPolarHBondContact O-CD1 3.33Å; S42-L46 WeakPolarHBondContact O-CG 3.24Å; S42-L46 PolarHBondContact O-N 3.01Å |
| 43 | D | 97.8 | Very high | 97.1 | Very high | 76 Ų | 76 | 88.2 Ų | 88.2 | 41% | 0.406 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | -179 | -174.1 | 53.2 | 0 | 0 | 0 | 111.9 | Q39 I41 K47 | Q39-D43 WeakPolarHBondContact O-CB 3.28Å; Q39-D43 PolarHBondContact O-N 2.92Å; I41-D43 PolarHBondContact O-N 2.93Å; D43-K47 VanDerWaalsContact O-CB 3.3Å; D43-K47 WeakPolarHBondContact O-CB 2.95Å; D43-K47 VanDerWaalsContact O-CD 3.32Å; D43-K47 WeakPolarHBondContact O-CD 3.5Å; D43-K47 WeakPolarHBondContact O-CG 3.42Å; D43-K47 PolarHBondContact O-N 3.25Å; D43-K47 WeakPolarHBondContact OD1-CE 3.34Å; D43-K47 IonicContact OD1-NZ 2.78Å; D43-K47 PolarHBondContact OD1-NZ 3.41Å; D43-K47 IonicContact OD2-NZ 2.69Å; D43-K47 PolarHBondContact OD2-NZ 2.99Å |
| 44 | K | 98.1 | Very high | 97 | Very high | 102 Ų | 102 | 86.8 Ų | 86.8 | 44% | 0.443 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.8 | -46.5 | -176.3 | -68.1 | 172.4 | -170.6 | -61.9 | 0 | 112.4 | N40 I41 S42 L48 Y72 | N40-K44 WeakPolarHBondContact O-CB 3.29Å; N40-K44 WeakPolarHBondContact O-CG 3.32Å; N40-K44 PolarHBondContact O-N 3.02Å; I41-K44 PolarHBondContact O-N 3.32Å; S42-K44 PolarHBondContact O-N 3.45Å; K44-L48 WeakPolarHBondContact O-CB 3.5Å; K44-L48 PolarHBondContact O-N 3Å; K44-Y72 HydrophobicContact CD-CD2 3.96Å; K44-Y72 HydrophobicContact CD-CE2 3.21Å |
| 45 | C | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 93.8 Ų | 93.8 | 1% | 0.014 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -73.9 | -35.1 | -175.9 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | I41 L48 C49 L65 C68 | I41-C45 WeakPolarHBondContact O-CB 3.17Å; I41-C45 PolarHBondContact O-N 2.95Å; I41-C45 PolarHBondContact O-SG 3.31Å; C45-L48 PolarHBondContact O-N 3.38Å; C45-C49 WeakPolarHBondContact O-CB 3.42Å; C45-C49 PolarHBondContact O-N 2.94Å; C45-C49 PolarHBondContact O-SG 3.34Å; C45-L65 HydrophobicContact CB-CD2 3.87Å; C45-C68 WeakPolarHBondContact CA-SG 3.33Å; C45-C68 HydrophobicContact CB-CB 3.75Å; C45-C68 WeakPolarHBondContact CB-SG 3.44Å; C45-C68 WeakPolarHBondContact SG-CB 3.31Å; C45-C68 CovalentContact SG-SG 2.04Å; C45-C68 PolarHBondContact SG-SG 2.85Å |
| 46 | L | 97.8 | Very high | 96.9 | Very high | 84 Ų | 84 | 93.9 Ų | 93.9 | 44% | 0.44 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 174.7 | -65.2 | 171.9 | 0 | 0 | 0 | 111.2 | S42 L48 C49 I50 L65 | S42-L46 WeakPolarHBondContact O-CB 3.46Å; S42-L46 WeakPolarHBondContact O-CD1 3.33Å; S42-L46 WeakPolarHBondContact O-CG 3.24Å; S42-L46 PolarHBondContact O-N 3.01Å; L46-L48 PolarHBondContact O-N 3.3Å; L46-C49 PolarHBondContact O-N 3.35Å; L46-I50 HydrophobicContact CB-CG1 4.37Å; L46-I50 HydrophobicContact CD2-CG1 3.76Å; L46-I50 WeakPolarHBondContact O-CB 3.38Å; L46-I50 PolarHBondContact O-N 3.08Å; L46-L65 HydrophobicContact CD2-CD2 4.14Å |
| 47 | K | 97.7 | Very high | 96.9 | Very high | 149 Ų | 149 | 92.3 Ų | 92.3 | 65% | 0.648 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59 | -36.6 | 174.9 | -76.1 | 172.4 | 179.4 | 163 | 0 | 112.7 | D43 | D43-K47 VanDerWaalsContact O-CB 3.3Å; D43-K47 WeakPolarHBondContact O-CB 2.95Å; D43-K47 VanDerWaalsContact O-CD 3.32Å; D43-K47 WeakPolarHBondContact O-CD 3.5Å; D43-K47 WeakPolarHBondContact O-CG 3.42Å; D43-K47 PolarHBondContact O-N 3.25Å; D43-K47 WeakPolarHBondContact OD1-CE 3.34Å; D43-K47 IonicContact OD1-NZ 2.78Å; D43-K47 PolarHBondContact OD1-NZ 3.41Å; D43-K47 IonicContact OD2-NZ 2.69Å; D43-K47 PolarHBondContact OD2-NZ 2.99Å |
| 48 | L | 98.1 | Very high | 96.8 | Very high | 114 Ų | 114 | 93 Ų | 93 | 60% | 0.597 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -76.9 | -43.6 | -179.6 | -176.4 | 66 | 0 | 0 | 0 | 112.6 | K44 C45 L46 | K44-L48 WeakPolarHBondContact O-CB 3.5Å; K44-L48 PolarHBondContact O-N 3Å; C45-L48 PolarHBondContact O-N 3.38Å; L46-L48 PolarHBondContact O-N 3.3Å |
| 49 | C | 98.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 90.7 Ų | 90.7 | 5% | 0.054 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -97.5 | -31.4 | -166.7 | -66 | 0 | 0 | 0 | 0 | 114.1 | C45 L46 K51 C64 L65 | C45-C49 WeakPolarHBondContact O-CB 3.42Å; C45-C49 PolarHBondContact O-N 2.94Å; C45-C49 PolarHBondContact O-SG 3.34Å; L46-C49 PolarHBondContact O-N 3.35Å; C49-K51 PolarHBondContact O-N 2.99Å; C49-C64 WeakPolarHBondContact CA-SG 3.39Å; C49-C64 HydrophobicContact CB-CB 3.61Å; C49-C64 WeakPolarHBondContact CB-SG 3.46Å; C49-C64 WeakPolarHBondContact SG-CB 3.27Å; C49-C64 PolarHBondContact SG-O 2.66Å; C49-C64 VanDerWaalsContact SG-O 3.38Å; C49-C64 CovalentContact SG-SG 2.04Å; C49-C64 PolarHBondContact SG-SG 3.35Å; C49-L65 HydrophobicContact CB-CD2 3.83Å; C49-L65 HydrophobicContact CB-CG 3.97Å; C49-L65 PolarHBondContact SG-N 3.5Å |
| 50 | I | 97.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 89.4 Ų | 89.4 | 19% | 0.19 | 49% | 0.486 | C | S | . | . | trans | -93.4 | 93.2 | -175.7 | -50.7 | -53.3 | 0 | 0 | 0 | 109.6 | L46 P53 L57 E61 L65 | L46-I50 HydrophobicContact CB-CG1 4.37Å; L46-I50 HydrophobicContact CD2-CG1 3.76Å; L46-I50 WeakPolarHBondContact O-CB 3.38Å; L46-I50 PolarHBondContact O-N 3.08Å; I50-P53 HydrophobicContact CG2-CG 4.39Å; I50-L57 HydrophobicContact CD1-CD2 3.4Å; I50-L57 HydrophobicContact CG1-CD2 4.5Å; I50-E61 HydrophobicContact CD1-CB 3.86Å; I50-E61 HydrophobicContact CD1-CG 3.97Å; I50-L65 HydrophobicContact CD1-CD1 4.2Å | ||
| 51 | K | 94.9 | Very high | 96.8 | Very high | 192 Ų | 192 | 87.3 Ų | 87.3 | 84% | 0.835 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -85.8 | -29.1 | 178.8 | -63.1 | -178.7 | -178 | 178 | 0 | 112.5 | C49 | C49-K51 PolarHBondContact O-N 2.99Š|
| 52 | K | 93.1 | Very high | 96.8 | Very high | 172 Ų | 172 | 92 Ų | 92 | 75% | 0.748 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -131 | 96.2 | 178.3 | -177 | -175.9 | 175 | -177.8 | 0 | 109.1 | G54 | K52-G54 PolarHBondContact O-N 3.21Š|
| 53 | P | 94.5 | Very high | 96.8 | Very high | 112 Ų | 112 | 95.4 Ų | 95.4 | 73% | 0.727 | 50% | 0.503 | S | S | * | . | trans | -53.5 | 129.5 | 175.5 | -26 | 34.8 | 0 | 0 | 0 | 111.5 | I50 | I50-P53 HydrophobicContact CG2-CG 4.39Š| ||
| 54 | G | 93.5 | Very high | 96.8 | Very high | 61 Ų | 61 | 93.8 Ų | 93.8 | 63% | 0.629 | 50% | 0.498 | S | S | * | . | trans | -142.9 | 178.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.7 | K52 T56 | K52-G54 PolarHBondContact O-N 3.21Å; G54-T56 PolarHBondContact O-N 3.05Å | ||
| 55 | K | 95.5 | Very high | 96.9 | Very high | 219 Ų | 219 | 90.4 Ų | 90.4 | 95% | 0.952 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -74.1 | -18.2 | 175.9 | -64.6 | -177.3 | 179.2 | -178.6 | 0 | 112.8 | ||
| 56 | T | 96.1 | Very high | 96.9 | Very high | 114 Ų | 114 | 93.6 Ų | 93.6 | 70% | 0.699 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -141 | 149.3 | -175.6 | 55.5 | 0 | 0 | 0 | 0 | 108.8 | G54 | G54-T56 PolarHBondContact O-N 3.05Š|
| 57 | L | 96.3 | Very high | 96.9 | Very high | 77 Ų | 77 | 96.2 Ų | 96.2 | 40% | 0.403 | 51% | 0.511 | S | S | . | . | trans | -78.2 | 129 | 168.9 | -60.1 | 174.1 | 0 | 0 | 0 | 109.1 | I50 E61 Q62 L65 | I50-L57 HydrophobicContact CD1-CD2 3.4Å; I50-L57 HydrophobicContact CG1-CD2 4.5Å; L57-E61 WeakPolarHBondContact CA-OE2 3.34Å; L57-E61 HydrophobicContact CB-CB 4.36Å; L57-E61 HydrophobicContact CD2-CB 4.34Å; L57-Q62 HydrophobicContact CB-CG 3.65Å; L57-Q62 HydrophobicContact CD1-CG 4.33Å; L57-L65 HydrophobicContact CD1-CD1 3.7Å; L57-L65 HydrophobicContact CD2-CD1 4.16Å | ||
| 58 | D | 95.9 | Very high | 97 | Very high | 81 Ų | 81 | 90 Ų | 90 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | trans | -75.3 | 168.2 | 170 | 77.4 | 41.2 | 0 | 0 | 0 | 111.7 | S60 E61 Q62 | D58-S60 PolarHBondContact O-N 3.29Å; D58-S60 VanDerWaalsContact OD1-CA 3.31Å; D58-S60 WeakPolarHBondContact OD1-CA 3.44Å; D58-S60 VanDerWaalsContact OD1-CB 3.26Å; D58-S60 WeakPolarHBondContact OD1-CB 3.24Å; D58-S60 PolarHBondContact OD1-N 3.49Å; D58-E61 PolarHBondContact N-OE2 3.36Å; D58-E61 PolarHBondContact O-N 3.39Å; D58-E61 PolarHBondContact OD1-N 3.41Å; D58-Q62 WeakPolarHBondContact O-CG 3.5Å; D58-Q62 PolarHBondContact O-N 3.04Å | ||
| 59 | G | 97.1 | Very high | 97 | Very high | 53 Ų | 53 | 86.7 Ų | 86.7 | 55% | 0.546 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.9 | -27.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K63 | G59-K63 VanDerWaalsContact O-CB 3.25Å; G59-K63 WeakPolarHBondContact O-CB 3.37Å; G59-K63 PolarHBondContact O-N 3.49Å; G59-K63 VanDerWaalsContact O-N 3.13Å |
| 60 | S | 97.3 | Very high | 97 | Very high | 90 Ų | 90 | 90.3 Ų | 90.3 | 63% | 0.629 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.9 | -41.1 | 176.5 | -55.3 | 0 | 0 | 0 | 0 | 111 | D58 K63 C64 | D58-S60 PolarHBondContact O-N 3.29Å; D58-S60 VanDerWaalsContact OD1-CA 3.31Å; D58-S60 WeakPolarHBondContact OD1-CA 3.44Å; D58-S60 VanDerWaalsContact OD1-CB 3.26Å; D58-S60 WeakPolarHBondContact OD1-CB 3.24Å; D58-S60 PolarHBondContact OD1-N 3.49Å; S60-K63 PolarHBondContact O-N 3.39Å; S60-C64 VanDerWaalsContact O-CB 3.27Å; S60-C64 WeakPolarHBondContact O-CB 3.43Å; S60-C64 PolarHBondContact O-N 2.9Å |
| 61 | E | 98 | Very high | 97 | Very high | 14 Ų | 14 | 95.6 Ų | 95.6 | 7% | 0.065 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 174.7 | -68.3 | 179 | 143.7 | 0 | 0 | 111.2 | I50 L57 D58 K63 C64 L65 | I50-E61 HydrophobicContact CD1-CB 3.86Å; I50-E61 HydrophobicContact CD1-CG 3.97Å; L57-E61 WeakPolarHBondContact CA-OE2 3.34Å; L57-E61 HydrophobicContact CB-CB 4.36Å; L57-E61 HydrophobicContact CD2-CB 4.34Å; D58-E61 PolarHBondContact N-OE2 3.36Å; D58-E61 PolarHBondContact O-N 3.39Å; D58-E61 PolarHBondContact OD1-N 3.41Å; E61-K63 PolarHBondContact O-N 3.47Å; E61-C64 PolarHBondContact O-N 3.32Å; E61-L65 WeakPolarHBondContact O-CB 3.42Å; E61-L65 VanDerWaalsContact O-CG 3.31Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 3.36Å |
| 62 | Q | 98 | Very high | 97.2 | Very high | 114 Ų | 114 | 88.2 Ų | 88.2 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 176.1 | -71.4 | 179.6 | -30.8 | 0 | 0 | 111.9 | L57 D58 L65 S66 | L57-Q62 HydrophobicContact CB-CG 3.65Å; L57-Q62 HydrophobicContact CD1-CG 4.33Å; D58-Q62 WeakPolarHBondContact O-CG 3.5Å; D58-Q62 PolarHBondContact O-N 3.04Å; Q62-L65 PolarHBondContact O-N 3.26Å; Q62-S66 PolarHBondContact O-N 2.92Å |
| 63 | K | 98.5 | Very high | 97.4 | Very high | 132 Ų | 132 | 83.3 Ų | 83.3 | 57% | 0.574 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.9 | -44.6 | 177.9 | -177.1 | 171.4 | -178.7 | 177.2 | 0 | 111.4 | G59 S60 E61 S66 Y67 | G59-K63 VanDerWaalsContact O-CB 3.25Å; G59-K63 WeakPolarHBondContact O-CB 3.37Å; G59-K63 PolarHBondContact O-N 3.49Å; G59-K63 VanDerWaalsContact O-N 3.13Å; S60-K63 PolarHBondContact O-N 3.39Å; E61-K63 PolarHBondContact O-N 3.47Å; K63-S66 PolarHBondContact O-N 3.47Å; K63-Y67 HydrophobicContact CD-CE2 4.11Å; K63-Y67 HydrophobicContact CG-CD2 3.87Å; K63-Y67 HydrophobicContact CG-CE2 3.44Å; K63-Y67 VanDerWaalsContact CG-CE2 3.44Å; K63-Y67 WeakPolarHBondContact O-CD2 3.37Å; K63-Y67 PolarHBondContact O-N 3.44Å |
| 64 | C | 98.7 | Very high | 97.6 | Very high | 43 Ų | 43 | 82.8 Ų | 82.8 | 29% | 0.291 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | C49 S60 E61 S66 Y67 C68 | C49-C64 WeakPolarHBondContact CA-SG 3.39Å; C49-C64 HydrophobicContact CB-CB 3.61Å; C49-C64 WeakPolarHBondContact CB-SG 3.46Å; C49-C64 WeakPolarHBondContact SG-CB 3.27Å; C49-C64 PolarHBondContact SG-O 2.66Å; C49-C64 VanDerWaalsContact SG-O 3.38Å; C49-C64 CovalentContact SG-SG 2.04Å; C49-C64 PolarHBondContact SG-SG 3.35Å; S60-C64 VanDerWaalsContact O-CB 3.27Å; S60-C64 WeakPolarHBondContact O-CB 3.43Å; S60-C64 PolarHBondContact O-N 2.9Å; E61-C64 PolarHBondContact O-N 3.32Å; C64-S66 PolarHBondContact O-N 2.89Å; C64-Y67 PolarHBondContact O-N 2.89Å; C64-C68 VanDerWaalsContact O-CB 3.26Å; C64-C68 WeakPolarHBondContact O-CB 3.47Å; C64-C68 PolarHBondContact O-N 3.36Å |
| 65 | L | 98.5 | Very high | 97.8 | Very high | 31 Ų | 31 | 83 Ų | 83 | 16% | 0.162 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 179.5 | -73.7 | 172.4 | 0 | 0 | 0 | 111.6 | C45 L46 C49 I50 L57 E61 Q62 Y67 C68 V69 | C45-L65 HydrophobicContact CB-CD2 3.87Å; L46-L65 HydrophobicContact CD2-CD2 4.14Å; C49-L65 HydrophobicContact CB-CD2 3.83Å; C49-L65 HydrophobicContact CB-CG 3.97Å; C49-L65 PolarHBondContact SG-N 3.5Å; I50-L65 HydrophobicContact CD1-CD1 4.2Å; L57-L65 HydrophobicContact CD1-CD1 3.7Å; L57-L65 HydrophobicContact CD2-CD1 4.16Å; E61-L65 WeakPolarHBondContact O-CB 3.42Å; E61-L65 VanDerWaalsContact O-CG 3.31Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 3.36Å; Q62-L65 PolarHBondContact O-N 3.26Å; L65-Y67 PolarHBondContact O-N 3.03Å; L65-C68 PolarHBondContact O-N 3.4Å; L65-V69 VanDerWaalsContact O-CG2 3.25Å; L65-V69 WeakPolarHBondContact O-CG2 3.22Å; L65-V69 PolarHBondContact O-N 2.88Å |
| 66 | S | 98.5 | Very high | 97.9 | Very high | 69 Ų | 69 | 76.4 Ų | 76.4 | 48% | 0.483 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.7 | -53.4 | 176.4 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | Q62 K63 C64 C68 V69 D70 | Q62-S66 PolarHBondContact O-N 2.92Å; K63-S66 PolarHBondContact O-N 3.47Å; C64-S66 PolarHBondContact O-N 2.89Å; S66-C68 VanDerWaalsContact C-N 3.34Å; S66-C68 PolarHBondContact O-N 3.29Å; S66-V69 PolarHBondContact O-N 3.48Å; S66-D70 PolarHBondContact O-N 2.95Å; S66-D70 VanDerWaalsContact O-N 3.15Å |
| 67 | Y | 98.6 | Very high | 98 | Very high | 138 Ų | 138 | 76 Ų | 76 | 54% | 0.541 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 178.7 | -71.2 | -60 | 0 | 0 | 0 | 113.1 | K63 C64 L65 D70 R71 | K63-Y67 HydrophobicContact CD-CE2 4.11Å; K63-Y67 HydrophobicContact CG-CD2 3.87Å; K63-Y67 HydrophobicContact CG-CE2 3.44Å; K63-Y67 VanDerWaalsContact CG-CE2 3.44Å; K63-Y67 WeakPolarHBondContact O-CD2 3.37Å; K63-Y67 PolarHBondContact O-N 3.44Å; C64-Y67 PolarHBondContact O-N 2.89Å; L65-Y67 PolarHBondContact O-N 3.03Å; Y67-D70 PolarHBondContact O-N 2.86Å; Y67-R71 VanDerWaalsContact O-CB 3.28Å; Y67-R71 WeakPolarHBondContact O-CB 3.3Å; Y67-R71 VanDerWaalsContact O-CG 3.24Å; Y67-R71 WeakPolarHBondContact O-CG 3.29Å; Y67-R71 PolarHBondContact O-N 2.9Å |
| 68 | C | 98.8 | Very high | 98.1 | Very high | 18 Ų | 18 | 77.8 Ų | 77.8 | 12% | 0.122 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 179.8 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | C45 C64 L65 S66 Y72 | C45-C68 WeakPolarHBondContact CA-SG 3.33Å; C45-C68 HydrophobicContact CB-CB 3.75Å; C45-C68 WeakPolarHBondContact CB-SG 3.44Å; C45-C68 WeakPolarHBondContact SG-CB 3.31Å; C45-C68 CovalentContact SG-SG 2.04Å; C45-C68 PolarHBondContact SG-SG 2.85Å; C64-C68 VanDerWaalsContact O-CB 3.26Å; C64-C68 WeakPolarHBondContact O-CB 3.47Å; C64-C68 PolarHBondContact O-N 3.36Å; L65-C68 PolarHBondContact O-N 3.4Å; S66-C68 VanDerWaalsContact C-N 3.34Å; S66-C68 PolarHBondContact O-N 3.29Å; C68-Y72 WeakPolarHBondContact O-CB 3.47Å; C68-Y72 PolarHBondContact O-N 2.94Å |
| 69 | V | 98.5 | Very high | 98.2 | Very high | 46 Ų | 46 | 78 Ų | 78 | 28% | 0.279 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | I41 L65 S66 R71 Y72 I73 | I41-V69 HydrophobicContact CG2-CB 4.47Å; I41-V69 HydrophobicContact CG2-CG1 4.44Å; I41-V69 HydrophobicContact CG2-CG2 3.69Å; L65-V69 VanDerWaalsContact O-CG2 3.25Å; L65-V69 WeakPolarHBondContact O-CG2 3.22Å; L65-V69 PolarHBondContact O-N 2.88Å; S66-V69 PolarHBondContact O-N 3.48Å; V69-R71 PolarHBondContact O-N 3.15Å; V69-Y72 PolarHBondContact O-N 3.01Å; V69-I73 HydrophobicContact CG1-CD1 3.84Å; V69-I73 WeakPolarHBondContact O-CG1 3.29Å; V69-I73 PolarHBondContact O-N 3.33Å |
| 70 | D | 98.6 | Very high | 98.1 | Very high | 83 Ų | 83 | 77.3 Ų | 77.3 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.2 | -51.8 | 179 | -66.7 | -26 | 0 | 0 | 0 | 110.9 | S66 Y67 Y72 I73 E74 | S66-D70 PolarHBondContact O-N 2.95Å; S66-D70 VanDerWaalsContact O-N 3.15Å; Y67-D70 PolarHBondContact O-N 2.86Å; D70-Y72 VanDerWaalsContact C-N 3.3Å; D70-Y72 PolarHBondContact O-N 3.4Å; D70-I73 PolarHBondContact O-N 3.45Å; D70-E74 WeakPolarHBondContact O-CG 3.33Å; D70-E74 PolarHBondContact O-N 3.41Å |
| 71 | R | 98.3 | Very high | 98.2 | Very high | 149 Ų | 149 | 75 Ų | 75 | 56% | 0.562 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.8 | -34.5 | 179 | -70.8 | -58.9 | -57.3 | 170.9 | -5.6 | 112.7 | Y67 V69 E74 T75 | Y67-R71 VanDerWaalsContact O-CB 3.28Å; Y67-R71 WeakPolarHBondContact O-CB 3.3Å; Y67-R71 VanDerWaalsContact O-CG 3.24Å; Y67-R71 WeakPolarHBondContact O-CG 3.29Å; Y67-R71 PolarHBondContact O-N 2.9Å; V69-R71 PolarHBondContact O-N 3.15Å; R71-E74 WeakPolarHBondContact CD-OE2 3.47Å; R71-E74 IonicContact CZ-OE2 2.71Å; R71-E74 IonicContact NE-OE2 3.78Å; R71-E74 IonicContact NH1-OE2 3.51Å; R71-E74 PolarHBondContact NH1-OE2 3.46Å; R71-T75 VanDerWaalsContact O-CB 3.24Å; R71-T75 WeakPolarHBondContact O-CB 3.37Å; R71-T75 PolarHBondContact O-N 2.89Å; R71-T75 PolarHBondContact O-OG1 3.19Å |
| 72 | Y | 98.5 | Very high | 98.2 | Very high | 37 Ų | 37 | 76.2 Ų | 76.2 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.9 | -48.3 | 177.8 | -172.5 | -92.5 | 0 | 0 | 0 | 111 | L37 N40 I41 K44 C68 V69 D70 T75 M76 | L37-Y72 HydrophobicContact CD1-CD1 4.44Å; L37-Y72 HydrophobicContact CD1-CE1 3.9Å; N40-Y72 WeakPolarHBondContact CB-OH 3Å; I41-Y72 HydrophobicContact CB-CD1 4.5Å; I41-Y72 HydrophobicContact CD1-CD1 3.96Å; I41-Y72 HydrophobicContact CD1-CE1 4.4Å; I41-Y72 HydrophobicContact CG1-CD1 3.25Å; I41-Y72 HydrophobicContact CG1-CE1 3.56Å; I41-Y72 HydrophobicContact CG1-CG 4Å; K44-Y72 HydrophobicContact CD-CD2 3.96Å; K44-Y72 HydrophobicContact CD-CE2 3.21Å; C68-Y72 WeakPolarHBondContact O-CB 3.47Å; C68-Y72 PolarHBondContact O-N 2.94Å; V69-Y72 PolarHBondContact O-N 3.01Å; D70-Y72 VanDerWaalsContact C-N 3.3Å; D70-Y72 PolarHBondContact O-N 3.4Å; Y72-T75 PolarHBondContact O-N 3Å; Y72-M76 HydrophobicContact CD1-CG 3.8Å; Y72-M76 HydrophobicContact CE1-CG 3.44Å; Y72-M76 VanDerWaalsContact CE1-CG 3.44Å; Y72-M76 HydrophobicContact CE1-SD 4.16Å; Y72-M76 HydrophobicContact CE2-CG 4.37Å; Y72-M76 HydrophobicContact CG-CG 4.48Å; Y72-M76 WeakPolarHBondContact O-CB 3.42Å; Y72-M76 VanDerWaalsContact O-CG 3.27Å; Y72-M76 WeakPolarHBondContact O-CG 3.37Å; Y72-M76 PolarHBondContact O-N 2.89Å |
| 73 | I | 98 | Very high | 98.1 | Very high | 68 Ų | 68 | 77.4 Ų | 77.4 | 35% | 0.349 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 179.7 | -66.3 | 168.3 | 0 | 0 | 0 | 110.6 | I41 V69 D70 T75 M76 N77 | I41-I73 HydrophobicContact CD1-CD1 4.42Å; I41-I73 HydrophobicContact CD1-CG1 4.12Å; V69-I73 HydrophobicContact CG1-CD1 3.84Å; V69-I73 WeakPolarHBondContact O-CG1 3.29Å; V69-I73 PolarHBondContact O-N 3.33Å; D70-I73 PolarHBondContact O-N 3.45Å; I73-T75 VanDerWaalsContact C-N 3.32Å; I73-T75 PolarHBondContact O-N 2.98Å; I73-M76 PolarHBondContact O-N 3.02Å; I73-N77 WeakPolarHBondContact O-CB 3.25Å; I73-N77 VanDerWaalsContact O-CG 3.29Å; I73-N77 PolarHBondContact O-N 3.4Å; I73-N77 PolarHBondContact O-ND2 2.82Å |
| 74 | E | 98.2 | Very high | 98.1 | Very high | 101 Ų | 101 | 77.9 Ų | 77.9 | 47% | 0.472 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55.5 | -47.8 | 174.4 | -74.5 | 177.2 | 174.2 | 0 | 0 | 111.8 | D70 R71 N77 L78 | D70-E74 WeakPolarHBondContact O-CG 3.33Å; D70-E74 PolarHBondContact O-N 3.41Å; R71-E74 WeakPolarHBondContact CD-OE2 3.47Å; R71-E74 IonicContact CZ-OE2 2.71Å; R71-E74 IonicContact NE-OE2 3.78Å; R71-E74 IonicContact NH1-OE2 3.51Å; R71-E74 PolarHBondContact NH1-OE2 3.46Å; E74-N77 PolarHBondContact O-N 2.83Å; E74-L78 WeakPolarHBondContact O-CB 3.23Å; E74-L78 PolarHBondContact O-N 3.38Å |
| 75 | T | 98.1 | Very high | 98 | Very high | 65 Ų | 65 | 81.1 Ų | 81.1 | 40% | 0.399 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | -179.4 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | R71 Y72 I73 N77 L78 V79 | R71-T75 VanDerWaalsContact O-CB 3.24Å; R71-T75 WeakPolarHBondContact O-CB 3.37Å; R71-T75 PolarHBondContact O-N 2.89Å; R71-T75 PolarHBondContact O-OG1 3.19Å; Y72-T75 PolarHBondContact O-N 3Å; I73-T75 VanDerWaalsContact C-N 3.32Å; I73-T75 PolarHBondContact O-N 2.98Å; T75-N77 VanDerWaalsContact C-N 3.33Å; T75-N77 PolarHBondContact O-N 3.03Å; T75-L78 PolarHBondContact O-N 3.31Å; T75-V79 HydrophobicContact CG2-CG2 4.27Å; T75-V79 WeakPolarHBondContact O-CB 3.26Å; T75-V79 VanDerWaalsContact O-CG2 3.29Å; T75-V79 WeakPolarHBondContact O-CG2 3.37Å; T75-V79 PolarHBondContact O-N 3.19Å |
| 76 | M | 97.2 | Very high | 97.9 | Very high | 82 Ų | 82 | 87.6 Ų | 87.6 | 40% | 0.404 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 176.9 | -77 | -63.6 | -64.5 | 0 | 0 | 111.7 | Y72 I73 V79 A80 | Y72-M76 HydrophobicContact CD1-CG 3.8Å; Y72-M76 HydrophobicContact CE1-CG 3.44Å; Y72-M76 VanDerWaalsContact CE1-CG 3.44Å; Y72-M76 HydrophobicContact CE1-SD 4.16Å; Y72-M76 HydrophobicContact CE2-CG 4.37Å; Y72-M76 HydrophobicContact CG-CG 4.48Å; Y72-M76 WeakPolarHBondContact O-CB 3.42Å; Y72-M76 VanDerWaalsContact O-CG 3.27Å; Y72-M76 WeakPolarHBondContact O-CG 3.37Å; Y72-M76 PolarHBondContact O-N 2.89Å; I73-M76 PolarHBondContact O-N 3.02Å; M76-V79 PolarHBondContact O-N 2.9Å; M76-A80 VanDerWaalsContact O-CB 3.22Å; M76-A80 WeakPolarHBondContact O-CB 3.38Å; M76-A80 PolarHBondContact O-N 3.06Å |
| 77 | N | 97.6 | Very high | 97.8 | Very high | 104 Ų | 104 | 89.2 Ų | 89.2 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.7 | -44.5 | 177.2 | -74.6 | -28.5 | 0 | 0 | 0 | 112 | I73 E74 T75 A80 A81 | I73-N77 WeakPolarHBondContact O-CB 3.25Å; I73-N77 VanDerWaalsContact O-CG 3.29Å; I73-N77 PolarHBondContact O-N 3.4Å; I73-N77 PolarHBondContact O-ND2 2.82Å; E74-N77 PolarHBondContact O-N 2.83Å; T75-N77 VanDerWaalsContact C-N 3.33Å; T75-N77 PolarHBondContact O-N 3.03Å; N77-A80 PolarHBondContact O-N 2.97Å; N77-A81 WeakPolarHBondContact O-CB 3.32Å; N77-A81 PolarHBondContact O-N 3.27Å |
| 78 | L | 98.4 | Very high | 97.6 | Very high | 115 Ų | 115 | 90.4 Ų | 90.4 | 60% | 0.602 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.2 | -51.7 | 176.6 | 177.5 | 61.6 | 0 | 0 | 0 | 111.3 | E74 T75 A80 A81 T82 | E74-L78 WeakPolarHBondContact O-CB 3.23Å; E74-L78 PolarHBondContact O-N 3.38Å; T75-L78 PolarHBondContact O-N 3.31Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 3.08Å; L78-A81 PolarHBondContact O-N 3.39Å; L78-T82 PolarHBondContact O-N 3.29Å; L78-T82 PolarHBondContact O-OG1 3.02Å; L78-T82 VanDerWaalsContact O-OG1 3.06Å |
| 79 | V | 97.9 | Very high | 97.2 | Very high | 87 Ų | 87 | 96.5 Ų | 96.5 | 53% | 0.527 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 179.4 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | T75 M76 A81 T82 Y83 | T75-V79 HydrophobicContact CG2-CG2 4.27Å; T75-V79 WeakPolarHBondContact O-CB 3.26Å; T75-V79 VanDerWaalsContact O-CG2 3.29Å; T75-V79 WeakPolarHBondContact O-CG2 3.37Å; T75-V79 PolarHBondContact O-N 3.19Å; M76-V79 PolarHBondContact O-N 2.9Å; V79-A81 VanDerWaalsContact C-N 3.35Å; V79-A81 PolarHBondContact O-N 3.28Å; V79-T82 PolarHBondContact O-N 3.11Å; V79-Y83 VanDerWaalsContact O-CB 3.25Å; V79-Y83 WeakPolarHBondContact O-CB 3.46Å; V79-Y83 PolarHBondContact O-N 3.32Å |
| 80 | A | 96.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 100.2 Ų | 100.2 | 31% | 0.306 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | M76 N77 L78 R84 | M76-A80 VanDerWaalsContact O-CB 3.22Å; M76-A80 WeakPolarHBondContact O-CB 3.38Å; M76-A80 PolarHBondContact O-N 3.06Å; N77-A80 PolarHBondContact O-N 2.97Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 3.08Å; A80-R84 WeakPolarHBondContact O-CG 3.44Å; A80-R84 PolarHBondContact O-N 3.21Å; A80-R84 PolarHBondContact O-NH1 3.23Å |
| 81 | A | 97.7 | Very high | 96.1 | Very high | 41 Ų | 41 | 101.1 Ų | 101.1 | 34% | 0.339 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -47.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N77 L78 V79 Y83 R84 Q85 | N77-A81 WeakPolarHBondContact O-CB 3.32Å; N77-A81 PolarHBondContact O-N 3.27Å; L78-A81 PolarHBondContact O-N 3.39Å; V79-A81 VanDerWaalsContact C-N 3.35Å; V79-A81 PolarHBondContact O-N 3.28Å; A81-Y83 VanDerWaalsContact C-N 3.31Å; A81-Y83 PolarHBondContact O-N 3.33Å; A81-R84 PolarHBondContact O-N 3.46Å; A81-Q85 PolarHBondContact O-N 3.42Å |
| 82 | T | 98.2 | Very high | 96 | Very high | 41 Ų | 41 | 98.5 Ų | 98.5 | 25% | 0.252 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 176.7 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | L78 V79 Q85 R86 | L78-T82 PolarHBondContact O-N 3.29Å; L78-T82 PolarHBondContact O-OG1 3.02Å; L78-T82 VanDerWaalsContact O-OG1 3.06Å; V79-T82 PolarHBondContact O-N 3.11Å; T82-Q85 PolarHBondContact O-N 2.85Å; T82-R86 WeakPolarHBondContact O-CG 3.41Å; T82-R86 PolarHBondContact O-N 3.32Å |
| 83 | Y | 97.5 | Very high | 95.8 | Very high | 138 Ų | 138 | 101.9 Ų | 101.9 | 54% | 0.541 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 177.4 | -176.8 | -109 | 0 | 0 | 0 | 111.5 | V79 A81 Q85 R86 L87 | V79-Y83 VanDerWaalsContact O-CB 3.25Å; V79-Y83 WeakPolarHBondContact O-CB 3.46Å; V79-Y83 PolarHBondContact O-N 3.32Å; A81-Y83 VanDerWaalsContact C-N 3.31Å; A81-Y83 PolarHBondContact O-N 3.33Å; Y83-Q85 VanDerWaalsContact C-N 3.31Å; Y83-Q85 PolarHBondContact O-N 3.46Å; Y83-R86 PolarHBondContact O-N 3.06Å; Y83-L87 HydrophobicContact CD1-CD1 4Å; Y83-L87 HydrophobicContact CD1-CG 4.49Å; Y83-L87 HydrophobicContact CE1-CD1 3.49Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.49Å; Y83-L87 HydrophobicContact CE1-CG 4.13Å; Y83-L87 PolarHBondContact O-N 3.35Å; Y83-L87 VanDerWaalsContact O-N 3.08Å |
| 84 | R | 97.1 | Very high | 95.7 | Very high | 142 Ų | 142 | 103.9 Ų | 103.9 | 54% | 0.536 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -57.9 | -42.7 | 174.1 | -74.2 | -171.3 | -59.1 | -90.2 | 3.6 | 112.3 | A80 A81 R86 L87 Q88 | A80-R84 WeakPolarHBondContact O-CG 3.44Å; A80-R84 PolarHBondContact O-N 3.21Å; A80-R84 PolarHBondContact O-NH1 3.23Å; A81-R84 PolarHBondContact O-N 3.46Å; R84-R86 VanDerWaalsContact C-N 3.34Å; R84-R86 PolarHBondContact O-N 3.05Å; R84-L87 PolarHBondContact O-N 3.06Å; R84-Q88 WeakPolarHBondContact O-CG 3.37Å; R84-Q88 PolarHBondContact O-N 2.73Å |
| 85 | Q | 97.3 | Very high | 95.5 | Very high | 111 Ų | 111 | 104.1 Ų | 104.1 | 52% | 0.519 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -42.1 | 178.1 | -177.4 | -178 | -16.3 | 0 | 0 | 111.8 | A81 T82 Y83 Q88 Q89 | A81-Q85 PolarHBondContact O-N 3.42Å; T82-Q85 PolarHBondContact O-N 2.85Å; Y83-Q85 VanDerWaalsContact C-N 3.31Å; Y83-Q85 PolarHBondContact O-N 3.46Å; Q85-Q88 PolarHBondContact O-N 3.33Å; Q85-Q89 WeakPolarHBondContact O-CG 3.43Å |
| 86 | R | 97.1 | Very high | 95.4 | Very high | 168 Ų | 168 | 106.7 Ų | 106.7 | 63% | 0.634 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66 | -39 | 177.7 | -71.8 | 177.3 | -178 | 145.6 | 1.1 | 112.6 | T82 Y83 R84 Q88 Q89 | T82-R86 WeakPolarHBondContact O-CG 3.41Å; T82-R86 PolarHBondContact O-N 3.32Å; Y83-R86 PolarHBondContact O-N 3.06Å; R84-R86 VanDerWaalsContact C-N 3.34Å; R84-R86 PolarHBondContact O-N 3.05Å; R86-Q88 PolarHBondContact O-N 3.15Å; R86-Q89 PolarHBondContact O-N 2.98Å; R86-Q89 VanDerWaalsContact O-N 3.15Å |
| 87 | L | 96.4 | Very high | 95.2 | Very high | 102 Ų | 102 | 108.5 Ų | 108.5 | 53% | 0.534 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -26.2 | 177.1 | -71.9 | -179.8 | 0 | 0 | 0 | 113.3 | Y83 R84 Q89 | Y83-L87 HydrophobicContact CD1-CD1 4Å; Y83-L87 HydrophobicContact CD1-CG 4.49Å; Y83-L87 HydrophobicContact CE1-CD1 3.49Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.49Å; Y83-L87 HydrophobicContact CE1-CG 4.13Å; Y83-L87 PolarHBondContact O-N 3.35Å; Y83-L87 VanDerWaalsContact O-N 3.08Å; R84-L87 PolarHBondContact O-N 3.06Å; L87-Q89 VanDerWaalsContact C-N 3.34Å |
| 88 | Q | 94.1 | Very high | 95.1 | Very high | 164 Ų | 164 | 108.8 Ų | 108.8 | 77% | 0.766 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -11.7 | 177.2 | -68.4 | 174.1 | -9.7 | 0 | 0 | 113.4 | R84 Q85 R86 | R84-Q88 WeakPolarHBondContact O-CG 3.37Å; R84-Q88 PolarHBondContact O-N 2.73Å; Q85-Q88 PolarHBondContact O-N 3.33Å; R86-Q88 PolarHBondContact O-N 3.15Å |
| 89 | Q | 89.2 | Confident | 94.8 | Very high | 145 Ų | 145 | 108.3 Ų | 108.3 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -11.6 | -178.4 | -70.6 | 178 | -13.3 | 0 | 0 | 113.5 | Q85 R86 L87 | Q85-Q89 WeakPolarHBondContact O-CG 3.43Å; R86-Q89 PolarHBondContact O-N 2.98Å; R86-Q89 VanDerWaalsContact O-N 3.15Å; L87-Q89 VanDerWaalsContact C-N 3.34Å |
| 90 | G | 78.2 | Confident | 94.5 | Very high | 124 Ų | 124 | 110.3 Ų | 110.3 | 100% | 1.278 | 58% | 0.58 | S | S | * | * | trans | -103.8 | 0 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 90 of 90 residues in 204.7 ms
(Link to these results)