| 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 | 63.9 | Low | 85.3 | Confident | 202 Ų | 202 | 128.2 Ų | 128.2 | 100% | 0.995 | 63% | 0.627 | S | S | * | * | 0 | -47.7 | 0 | -67.1 | -174.9 | -64.1 | 0 | 0 | 111.9 | Q3 F4 | M1-Q3 PolarHBondContact O-N 3.26Å; M1-F4 PolarHBondContact O-N 3.39Å | |||
| 2 | N | 77 | Confident | 85.5 | Confident | 124 Ų | 124 | 127.9 Ų | 127.9 | 66% | 0.663 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.1 | -35.7 | -177.7 | -59.9 | -5.9 | 0 | 0 | 0 | 114.7 | F4 Y5 Y6 | N2-F4 PolarHBondContact O-N 3.39Å; N2-Y5 WeakPolarHBondContact O-CB 3.06Å; N2-Y5 PolarHBondContact O-N 3.45Å; N2-Y6 HydrophobicContact CB-CE2 4.26Å; N2-Y6 WeakPolarHBondContact O-CD2 3.33Å; N2-Y6 PolarHBondContact O-N 3.46Å |
| 3 | Q | 82.3 | Confident | 85.7 | Confident | 166 Ų | 166 | 125.5 Ų | 125.5 | 78% | 0.776 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.6 | -39.9 | -179.2 | -173.7 | 175.9 | -8.1 | 0 | 0 | 113.4 | M1 Y5 Y6 A7 | M1-Q3 PolarHBondContact O-N 3.26Å; Q3-Y5 VanDerWaalsContact C-N 3.31Å; Q3-Y5 PolarHBondContact O-N 3.46Å; Q3-Y6 PolarHBondContact O-N 3.31Å; Q3-A7 PolarHBondContact O-N 3.34Å |
| 4 | F | 85.9 | Confident | 85.6 | Confident | 158 Ų | 158 | 122.9 Ų | 122.9 | 69% | 0.693 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.3 | -35.9 | 177.7 | -69.8 | -73.2 | 0 | 0 | 0 | 111.9 | M1 N2 A7 I8 | M1-F4 PolarHBondContact O-N 3.39Å; N2-F4 PolarHBondContact O-N 3.39Å; F4-A7 PolarHBondContact O-N 3.05Å; F4-I8 WeakPolarHBondContact O-CG1 3.44Å; F4-I8 PolarHBondContact O-N 3.2Å |
| 5 | Y | 88.7 | Confident | 85.2 | Confident | 153 Ų | 153 | 118.7 Ų | 118.7 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.9 | -44.4 | 178.4 | -176.6 | -99.7 | 0 | 0 | 0 | 111.8 | N2 Q3 A7 I8 L9 | N2-Y5 WeakPolarHBondContact O-CB 3.06Å; N2-Y5 PolarHBondContact O-N 3.45Å; Q3-Y5 VanDerWaalsContact C-N 3.31Å; Q3-Y5 PolarHBondContact O-N 3.46Å; Y5-A7 VanDerWaalsContact C-N 3.35Å; Y5-A7 PolarHBondContact O-N 3.29Å; Y5-I8 PolarHBondContact O-N 3.07Å; Y5-L9 HydrophobicContact CE1-CD1 3.72Å; Y5-L9 WeakPolarHBondContact O-CB 3.37Å; Y5-L9 PolarHBondContact O-N 3.24Å |
| 6 | Y | 89.3 | Confident | 84.8 | Confident | 158 Ų | 158 | 120 Ų | 120 | 62% | 0.62 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.8 | -40.3 | 175.9 | -68.1 | -67.7 | 0 | 0 | 0 | 112.6 | N2 Q3 L9 M10 | N2-Y6 HydrophobicContact CB-CE2 4.26Å; N2-Y6 WeakPolarHBondContact O-CD2 3.33Å; N2-Y6 PolarHBondContact O-N 3.46Å; Q3-Y6 PolarHBondContact O-N 3.31Å; Y6-L9 PolarHBondContact O-N 3.32Å; Y6-M10 WeakPolarHBondContact O-CB 3.26Å; Y6-M10 VanDerWaalsContact O-CG 3.26Å; Y6-M10 WeakPolarHBondContact O-CG 3.46Å; Y6-M10 PolarHBondContact O-N 3.42Å |
| 7 | A | 89.7 | Confident | 84.2 | Confident | 56 Ų | 56 | 116.9 Ų | 116.9 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.2 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q3 F4 Y5 M10 V11 | Q3-A7 PolarHBondContact O-N 3.34Å; F4-A7 PolarHBondContact O-N 3.05Å; Y5-A7 VanDerWaalsContact C-N 3.35Å; Y5-A7 PolarHBondContact O-N 3.29Å; A7-M10 PolarHBondContact O-N 3.46Å; A7-V11 WeakPolarHBondContact O-CG2 3.38Å; A7-V11 PolarHBondContact O-N 2.92Å; A7-V11 VanDerWaalsContact O-N 3.07Å |
| 8 | I | 90.2 | Very high | 83.6 | Confident | 111 Ų | 111 | 119.6 Ų | 119.6 | 57% | 0.569 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.4 | -43.9 | 176.9 | -65.7 | 167.2 | 0 | 0 | 0 | 110.7 | F4 Y5 M10 V11 M12 | F4-I8 WeakPolarHBondContact O-CG1 3.44Å; F4-I8 PolarHBondContact O-N 3.2Å; Y5-I8 PolarHBondContact O-N 3.07Å; I8-M10 VanDerWaalsContact C-N 3.35Å; I8-M10 PolarHBondContact O-N 2.91Å; I8-V11 PolarHBondContact O-N 2.95Å; I8-M12 HydrophobicContact CG2-CG 4.45Å; I8-M12 WeakPolarHBondContact O-CG 3.33Å; I8-M12 PolarHBondContact O-N 3.02Å |
| 9 | L | 91.4 | Very high | 82.7 | Confident | 68 Ų | 68 | 120.7 Ų | 120.7 | 36% | 0.356 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.9 | -38.6 | -179.3 | -164.4 | 140.1 | 0 | 0 | 0 | 111.8 | Y5 Y6 M12 I13 | Y5-L9 HydrophobicContact CE1-CD1 3.72Å; Y5-L9 WeakPolarHBondContact O-CB 3.37Å; Y5-L9 PolarHBondContact O-N 3.24Å; Y6-L9 PolarHBondContact O-N 3.32Å; L9-M12 PolarHBondContact O-N 3.03Å; L9-I13 HydrophobicContact CD2-CD1 3.56Å; L9-I13 HydrophobicContact CD2-CG1 4.42Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 3.38Å |
| 10 | M | 89 | Confident | 81.5 | Confident | 123 Ų | 123 | 119 Ų | 119 | 61% | 0.606 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.1 | -44.1 | 172.7 | -73.3 | -70.3 | -74 | 0 | 0 | 112.1 | Y6 A7 I8 M12 I13 V14 | Y6-M10 WeakPolarHBondContact O-CB 3.26Å; Y6-M10 VanDerWaalsContact O-CG 3.26Å; Y6-M10 WeakPolarHBondContact O-CG 3.46Å; Y6-M10 PolarHBondContact O-N 3.42Å; A7-M10 PolarHBondContact O-N 3.46Å; I8-M10 VanDerWaalsContact C-N 3.35Å; I8-M10 PolarHBondContact O-N 2.91Å; M10-M12 VanDerWaalsContact C-N 3.32Å; M10-M12 PolarHBondContact O-N 3.35Å; M10-I13 PolarHBondContact O-N 3Å; M10-V14 VanDerWaalsContact O-CG2 3.29Å; M10-V14 WeakPolarHBondContact O-CG2 3.02Å; M10-V14 PolarHBondContact O-N 3.28Å |
| 11 | V | 90.4 | Very high | 80.5 | Confident | 91 Ų | 91 | 118.5 Ų | 118.5 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.5 | -42.5 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | A7 I8 V14 T15 | A7-V11 WeakPolarHBondContact O-CG2 3.38Å; A7-V11 PolarHBondContact O-N 2.92Å; A7-V11 VanDerWaalsContact O-N 3.07Å; I8-V11 PolarHBondContact O-N 2.95Å; V11-V14 PolarHBondContact O-N 3.45Å; V11-T15 HydrophobicContact CG1-CG2 4.4Å; V11-T15 WeakPolarHBondContact O-CG2 3.19Å; V11-T15 PolarHBondContact O-N 3.38Å; V11-T15 PolarHBondContact O-OG1 2.93Å |
| 12 | M | 88.1 | Confident | 80.2 | Confident | 125 Ų | 125 | 113.6 Ų | 113.6 | 62% | 0.616 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.4 | -39.6 | 176.9 | -70.9 | -69.2 | -70.6 | 0 | 0 | 112.6 | I8 L9 M10 T15 F16 | I8-M12 HydrophobicContact CG2-CG 4.45Å; I8-M12 WeakPolarHBondContact O-CG 3.33Å; I8-M12 PolarHBondContact O-N 3.02Å; L9-M12 PolarHBondContact O-N 3.03Å; M10-M12 VanDerWaalsContact C-N 3.32Å; M10-M12 PolarHBondContact O-N 3.35Å; M12-T15 WeakPolarHBondContact CA-OG1 3.47Å; M12-T15 PolarHBondContact O-OG1 3.04Å; M12-T15 VanDerWaalsContact O-OG1 3.04Å; M12-F16 WeakPolarHBondContact O-CB 3.33Å; M12-F16 PolarHBondContact O-N 2.85Å |
| 13 | I | 87.8 | Confident | 79.2 | Confident | 96 Ų | 96 | 112.2 Ų | 112.2 | 49% | 0.492 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.1 | -43.4 | 176.9 | -68 | 168.6 | 0 | 0 | 0 | 110.7 | L9 M10 F16 S17 | L9-I13 HydrophobicContact CD2-CD1 3.56Å; L9-I13 HydrophobicContact CD2-CG1 4.42Å; L9-I13 WeakPolarHBondContact O-CG1 3.29Å; L9-I13 PolarHBondContact O-N 3.38Å; M10-I13 PolarHBondContact O-N 3Å; I13-F16 PolarHBondContact O-N 3.01Å; I13-S17 PolarHBondContact O-N 2.96Å; I13-S17 PolarHBondContact O-OG 3.06Å; I13-S17 VanDerWaalsContact O-OG 3.04Å |
| 14 | V | 84.3 | Confident | 78.2 | Confident | 89 Ų | 89 | 105.5 Ų | 105.5 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 179.6 | 172 | 0 | 0 | 0 | 0 | 111.4 | M10 V11 S17 Y18 | M10-V14 VanDerWaalsContact O-CG2 3.29Å; M10-V14 WeakPolarHBondContact O-CG2 3.02Å; M10-V14 PolarHBondContact O-N 3.28Å; V11-V14 PolarHBondContact O-N 3.45Å; V14-S17 WeakPolarHBondContact CA-OG 3.36Å; V14-S17 PolarHBondContact O-OG 2.88Å; V14-Y18 WeakPolarHBondContact O-CB 3.48Å; V14-Y18 PolarHBondContact O-N 3.49Å |
| 15 | T | 79.6 | Confident | 77.7 | Confident | 60 Ų | 60 | 106.4 Ų | 106.4 | 37% | 0.368 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.2 | -43.2 | 175.3 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | V11 M12 S17 Y18 F19 | V11-T15 HydrophobicContact CG1-CG2 4.4Å; V11-T15 WeakPolarHBondContact O-CG2 3.19Å; V11-T15 PolarHBondContact O-N 3.38Å; V11-T15 PolarHBondContact O-OG1 2.93Å; M12-T15 WeakPolarHBondContact CA-OG1 3.47Å; M12-T15 PolarHBondContact O-OG1 3.04Å; M12-T15 VanDerWaalsContact O-OG1 3.04Å; T15-S17 PolarHBondContact O-N 3.34Å; T15-Y18 WeakPolarHBondContact O-CB 3.33Å; T15-Y18 PolarHBondContact O-N 3.28Å; T15-F19 WeakPolarHBondContact O-CD2 3.26Å; T15-F19 PolarHBondContact O-N 2.95Å |
| 16 | F | 79.3 | Confident | 77.4 | Confident | 140 Ų | 140 | 102.2 Ų | 102.2 | 61% | 0.614 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 177.5 | -168.6 | -103.7 | 0 | 0 | 0 | 112 | M12 I13 Y18 F19 N20 | M12-F16 WeakPolarHBondContact O-CB 3.33Å; M12-F16 PolarHBondContact O-N 2.85Å; I13-F16 PolarHBondContact O-N 3.01Å; F16-Y18 VanDerWaalsContact C-N 3.3Å; F16-Y18 PolarHBondContact O-N 3.04Å; F16-F19 PolarHBondContact O-N 3.45Å; F16-F19 VanDerWaalsContact O-N 3.16Å; F16-N20 WeakPolarHBondContact CD1-ND2 3.49Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.22Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.18Å; F16-N20 PolarHBondContact O-N 3.46Å; F16-N20 PolarHBondContact O-ND2 2.73Å |
| 17 | S | 75.2 | Confident | 77.1 | Confident | 68 Ų | 68 | 98.9 Ų | 98.9 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 177.2 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | I13 V14 T15 N20 V21 | I13-S17 PolarHBondContact O-N 2.96Å; I13-S17 PolarHBondContact O-OG 3.06Å; I13-S17 VanDerWaalsContact O-OG 3.04Å; V14-S17 WeakPolarHBondContact CA-OG 3.36Å; V14-S17 PolarHBondContact O-OG 2.88Å; T15-S17 PolarHBondContact O-N 3.34Å; S17-N20 PolarHBondContact O-N 3.25Å; S17-V21 PolarHBondContact O-N 3.4Å |
| 18 | Y | 72.1 | Confident | 76.9 | Confident | 165 Ų | 165 | 99.6 Ų | 99.6 | 65% | 0.647 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.1 | -39.6 | 172.6 | -171.7 | -97.3 | 0 | 0 | 0 | 112.9 | V14 T15 F16 N20 V21 V22 | V14-Y18 WeakPolarHBondContact O-CB 3.48Å; V14-Y18 PolarHBondContact O-N 3.49Å; T15-Y18 WeakPolarHBondContact O-CB 3.33Å; T15-Y18 PolarHBondContact O-N 3.28Å; F16-Y18 VanDerWaalsContact C-N 3.3Å; F16-Y18 PolarHBondContact O-N 3.04Å; Y18-N20 VanDerWaalsContact C-N 3.33Å; Y18-N20 PolarHBondContact O-N 3.45Å; Y18-V21 HydrophobicContact CD2-CG1 4.43Å; Y18-V21 VanDerWaalsContact O-CG1 3.26Å; Y18-V21 WeakPolarHBondContact O-CG1 3.45Å; Y18-V21 PolarHBondContact O-N 3.49Å; Y18-V22 PolarHBondContact O-N 2.97Å |
| 19 | F | 66.2 | Low | 76.6 | Confident | 141 Ų | 141 | 97.8 Ų | 97.8 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67 | -34.2 | 174.3 | -79.4 | -68.1 | 0 | 0 | 0 | 112.5 | T15 F16 V22 | T15-F19 WeakPolarHBondContact O-CD2 3.26Å; T15-F19 PolarHBondContact O-N 2.95Å; F16-F19 PolarHBondContact O-N 3.45Å; F16-F19 VanDerWaalsContact O-N 3.16Å; F19-V22 VanDerWaalsContact O-CG1 3.22Å; F19-V22 WeakPolarHBondContact O-CG1 3.07Å; F19-V22 PolarHBondContact O-N 3.16Å |
| 20 | N | 60.2 | Low | 76.2 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.7 | -33.6 | 177.8 | -72.9 | -81.5 | 0 | 0 | 0 | 112.1 | F16 S17 Y18 V22 S23 | F16-N20 WeakPolarHBondContact CD1-ND2 3.49Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.22Å; F16-N20 WeakPolarHBondContact CZ-ND2 3.18Å; F16-N20 PolarHBondContact O-N 3.46Å; F16-N20 PolarHBondContact O-ND2 2.73Å; S17-N20 PolarHBondContact O-N 3.25Å; Y18-N20 VanDerWaalsContact C-N 3.33Å; Y18-N20 PolarHBondContact O-N 3.45Å; N20-V22 PolarHBondContact O-N 2.79Å; N20-S23 PolarHBondContact O-N 3.23Å; N20-S23 PolarHBondContact O-OG 2.91Å |
| 21 | V | 59.8 | Low | 76 | Confident | 108 Ų | 108 | 94.9 Ų | 94.9 | 66% | 0.655 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.2 | -19.4 | 177 | 78.7 | 0 | 0 | 0 | 0 | 112.9 | S17 Y18 S23 | S17-V21 PolarHBondContact O-N 3.4Å; Y18-V21 HydrophobicContact CD2-CG1 4.43Å; Y18-V21 VanDerWaalsContact O-CG1 3.26Å; Y18-V21 WeakPolarHBondContact O-CG1 3.45Å; Y18-V21 PolarHBondContact O-N 3.49Å; V21-S23 PolarHBondContact O-N 3.27Å |
| 22 | V | 57.1 | Low | 75.8 | Confident | 99 Ų | 99 | 96.9 Ų | 96.9 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 7.9 | 174.8 | 94.5 | 0 | 0 | 0 | 0 | 113.6 | Y18 F19 N20 G24 | Y18-V22 PolarHBondContact O-N 2.97Å; F19-V22 VanDerWaalsContact O-CG1 3.22Å; F19-V22 WeakPolarHBondContact O-CG1 3.07Å; F19-V22 PolarHBondContact O-N 3.16Å; N20-V22 PolarHBondContact O-N 2.79Å; V22-G24 PolarHBondContact O-N 3.3Å |
| 23 | S | 57.4 | Low | 75.7 | Confident | 96 Ų | 96 | 91 Ų | 91 | 67% | 0.671 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -67.3 | 81.5 | 155.8 | 59.6 | 0 | 0 | 0 | 0 | 107 | N20 V21 E25 | N20-S23 PolarHBondContact O-N 3.23Å; N20-S23 PolarHBondContact O-OG 2.91Å; V21-S23 PolarHBondContact O-N 3.27Å; S23-E25 PolarHBondContact O-N 3.19Å |
| 24 | G | 61.3 | Low | 75.3 | Confident | 25 Ų | 25 | 87.7 Ų | 87.7 | 26% | 0.258 | 48% | 0.479 | S | S | . | . | trans | -46.5 | 132.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V22 C26 | V22-G24 PolarHBondContact O-N 3.3Å; G24-C26 PolarHBondContact O-N 3.11Å | ||
| 25 | E | 73.8 | Confident | 74.6 | Confident | 177 Ų | 177 | 87.3 Ų | 87.3 | 83% | 0.827 | 47% | 0.47 | S | S | * | . | trans | -45.1 | 137.7 | 173.2 | -62 | 178.1 | 108.4 | 0 | 0 | 109.6 | S23 | S23-E25 PolarHBondContact O-N 3.19Š| ||
| 26 | C | 82.4 | Confident | 74.3 | Confident | 64 Ų | 64 | 87 Ų | 87 | 43% | 0.432 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 147.1 | 179.6 | 70.7 | 0 | 0 | 0 | 0 | 110.1 | G24 P40 C42 | G24-C26 PolarHBondContact O-N 3.11Å; C26-P40 CarbonylContact C-O 3.52Å; C26-P40 WeakPolarHBondContact CA-O 3.05Å; C26-C42 HydrophobicContact CB-CB 3.83Å; C26-C42 WeakPolarHBondContact CB-SG 3.44Å; C26-C42 PolarHBondContact O-SG 3.47Å; C26-C42 WeakPolarHBondContact SG-CA 3.29Å; C26-C42 WeakPolarHBondContact SG-CB 3.47Å; C26-C42 CovalentContact SG-SG 2.04Å; C26-C42 PolarHBondContact SG-SG 3.13Å |
| 27 | R | 83.2 | Confident | 73.7 | Confident | 88 Ų | 88 | 86.8 Ų | 86.8 | 33% | 0.332 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -90.7 | 131.5 | -174.4 | -57.9 | -54.7 | 179.9 | 108.7 | -2.1 | 111 | Q31 P40 C41 C42 C57 | R27-Q31 HydrophobicContact CB-CB 4.02Å; R27-P40 PolarHBondContact N-O 3.41Å; R27-C41 WeakPolarHBondContact O-CA 3.33Å; R27-C42 PolarHBondContact O-N 2.73Å; R27-C57 VanDerWaalsContact CB-SG 3.55Å |
| 28 | T | 85.7 | Confident | 73.5 | Confident | 72 Ų | 72 | 91.7 Ų | 91.7 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 172 | 177.4 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | G30 Q31 C57 | T28-G30 PolarHBondContact O-N 2.74Å; T28-Q31 VanDerWaalsContact N-OE1 3.14Å; T28-Q31 WeakPolarHBondContact O-CB 3.42Å; T28-Q31 PolarHBondContact O-N 3.35Å; T28-Q31 VanDerWaalsContact O-N 3.13Å; T28-C57 WeakPolarHBondContact O-CB 3.34Å |
| 29 | V | 84.7 | Confident | 73.6 | Confident | 73 Ų | 73 | 84.4 Ų | 84.4 | 44% | 0.442 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 134.8 | -179.8 | 178 | 0 | 0 | 0 | 0 | 111.4 | Q31 F45 C57 | V29-Q31 PolarHBondContact O-N 2.85Å; V29-F45 HydrophobicContact CG2-CD1 3.65Å; V29-F45 HydrophobicContact CG2-CD2 3.94Å; V29-F45 HydrophobicContact CG2-CE1 3.44Å; V29-F45 VanDerWaalsContact CG2-CE1 3.44Å; V29-F45 HydrophobicContact CG2-CE2 3.76Å; V29-F45 HydrophobicContact CG2-CG 3.9Å; V29-F45 HydrophobicContact CG2-CZ 3.51Å; V29-C57 CarbonylContact C-O 3.54Å; V29-C57 WeakPolarHBondContact CA-O 3.38Å |
| 30 | G | 82.3 | Confident | 74.3 | Confident | 46 Ų | 46 | 80.4 Ų | 80.4 | 47% | 0.474 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -11.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T28 C57 | T28-G30 PolarHBondContact O-N 2.74Å; G30-C57 PolarHBondContact N-O 3.19Å |
| 31 | Q | 85.6 | Confident | 75.5 | Confident | 84 Ų | 84 | 77.5 Ų | 77.5 | 39% | 0.393 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -76.6 | 150.8 | 173.6 | -67 | -167.6 | -28.6 | 0 | 0 | 111.6 | R27 T28 V29 C33 Q56 C57 | R27-Q31 HydrophobicContact CB-CB 4.02Å; T28-Q31 VanDerWaalsContact N-OE1 3.14Å; T28-Q31 WeakPolarHBondContact O-CB 3.42Å; T28-Q31 PolarHBondContact O-N 3.35Å; T28-Q31 VanDerWaalsContact O-N 3.13Å; V29-Q31 PolarHBondContact O-N 2.85Å; Q31-C33 PolarHBondContact O-N 3.28Å; Q31-Q56 WeakPolarHBondContact O-CA 3.06Å; Q31-C57 PolarHBondContact O-N 3.17Å |
| 32 | E | 86.1 | Confident | 76.7 | Confident | 133 Ų | 133 | 73.3 Ų | 73.3 | 62% | 0.621 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 130.9 | 176.2 | -65.8 | -170.4 | 121.1 | 0 | 0 | 111.1 | G55 | E32-G55 CarbonylContact C-O 3.6Å; E32-G55 WeakPolarHBondContact CA-O 3.34Å |
| 33 | C | 85.4 | Confident | 77.6 | Confident | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.014 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 135.4 | 172.8 | 63.7 | 0 | 0 | 0 | 0 | 109.3 | Q31 C47 G55 C57 | Q31-C33 PolarHBondContact O-N 3.28Å; C33-C47 HydrophobicContact CB-CB 3.91Å; C33-C47 WeakPolarHBondContact CB-SG 3.42Å; C33-C47 PolarHBondContact O-SG 2.81Å; C33-C47 VanDerWaalsContact O-SG 3.41Å; C33-C47 WeakPolarHBondContact SG-CA 3.21Å; C33-C47 WeakPolarHBondContact SG-CB 3.28Å; C33-C47 CovalentContact SG-SG 2.03Å; C33-C47 PolarHBondContact SG-SG 3.43Å; C33-G55 PolarHBondContact N-O 3.3Å; C33-G55 CarbonylContact O-C 3.54Å; C33-G55 WeakPolarHBondContact O-CA 3.5Å; C33-G55 PolarHBondContact O-N 2.79Å; C33-C57 VanDerWaalsContact CB-SG 3.56Å |
| 34 | S | 78.9 | Confident | 78.6 | Confident | 26 Ų | 26 | 78.3 Ų | 78.3 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | trans | -93.6 | 138.6 | 154.5 | -168.5 | 0 | 0 | 0 | 0 | 107.1 | T36 S39 F53 | S34-T36 VanDerWaalsContact CB-OG1 3.29Å; S34-T36 WeakPolarHBondContact CB-OG1 3.35Å; S34-T36 PolarHBondContact O-N 3.28Å; S34-T36 WeakPolarHBondContact OG-CG2 3.48Å; S34-T36 PolarHBondContact OG-OG1 3.02Å; S34-T36 VanDerWaalsContact OG-OG1 3.11Å; S34-S39 WeakPolarHBondContact CB-OG 3.36Å; S34-S39 PolarHBondContact N-OG 2.88Å; S34-S39 PolarHBondContact O-OG 3.17Å; S34-F53 VanDerWaalsContact CA-O 3.28Å; S34-F53 WeakPolarHBondContact CA-O 2.99Å; S34-F53 WeakPolarHBondContact CB-O 3.31Å; S34-F53 PolarHBondContact OG-O 3.38Å | ||
| 35 | K | 69.4 | Low | 79.8 | Confident | 81 Ų | 81 | 80.2 Ų | 80.2 | 35% | 0.352 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -66.1 | 21.7 | 174.5 | -161.1 | 169.4 | 178.7 | 124.8 | 0 | 112.8 | L49 | K35-L49 HydrophobicContact CB-CD1 4.07Å; K35-L49 HydrophobicContact CB-CD2 4.22Å; K35-L49 HydrophobicContact CB-CG 4.39Å; K35-L49 HydrophobicContact CD-CD1 3.65Å; K35-L49 HydrophobicContact CD-CG 4.36Å |
| 36 | T | 73.3 | Confident | 80.5 | Confident | 54 Ų | 54 | 75.4 Ų | 75.4 | 33% | 0.331 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -106.8 | 167.7 | 178.8 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | S34 F38 | S34-T36 VanDerWaalsContact CB-OG1 3.29Å; S34-T36 WeakPolarHBondContact CB-OG1 3.35Å; S34-T36 PolarHBondContact O-N 3.28Å; S34-T36 WeakPolarHBondContact OG-CG2 3.48Å; S34-T36 PolarHBondContact OG-OG1 3.02Å; S34-T36 VanDerWaalsContact OG-OG1 3.11Å; T36-F38 PolarHBondContact O-N 3.16Å |
| 37 | V | 68.6 | Low | 80.7 | Confident | 135 Ų | 135 | 73.4 Ų | 73.4 | 82% | 0.818 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -12.4 | -175.9 | -172.6 | 0 | 0 | 0 | 0 | 113 | S39 | V37-S39 VanDerWaalsContact C-N 3.33Å; V37-S39 PolarHBondContact O-N 3.01Å |
| 38 | F | 69.4 | Low | 80.9 | Confident | 171 Ų | 171 | 69.2 Ų | 69.2 | 75% | 0.75 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -23.6 | -177.9 | -62.8 | -68.1 | 0 | 0 | 0 | 113.8 | T36 | T36-F38 PolarHBondContact O-N 3.16Š|
| 39 | S | 74.3 | Confident | 80.9 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -147.9 | 64.2 | -175.1 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | S34 V37 | S34-S39 WeakPolarHBondContact CB-OG 3.36Å; S34-S39 PolarHBondContact N-OG 2.88Å; S34-S39 PolarHBondContact O-OG 3.17Å; V37-S39 VanDerWaalsContact C-N 3.33Å; V37-S39 PolarHBondContact O-N 3.01Å |
| 40 | P | 81.8 | Confident | 80.3 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 144 | 176.9 | 30.1 | -33.7 | 0 | 0 | 0 | 109.7 | C26 R27 | C26-P40 CarbonylContact C-O 3.52Å; C26-P40 WeakPolarHBondContact CA-O 3.05Å; R27-P40 PolarHBondContact N-O 3.41Å |
| 41 | C | 84.8 | Confident | 79.9 | Confident | 25 Ų | 25 | 70.2 Ų | 70.2 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 148.9 | 166.7 | -61.8 | 0 | 0 | 0 | 0 | 110 | R27 F45 C57 | R27-C41 WeakPolarHBondContact O-CA 3.33Å; C41-F45 HydrophobicContact CB-CB 3.91Å; C41-F45 WeakPolarHBondContact CB-O 3.01Å; C41-C57 WeakPolarHBondContact CA-SG 3.45Å; C41-C57 HydrophobicContact CB-CB 3.87Å; C41-C57 WeakPolarHBondContact CB-SG 3.44Å; C41-C57 WeakPolarHBondContact SG-CA 3.47Å; C41-C57 WeakPolarHBondContact SG-CB 3.04Å; C41-C57 CovalentContact SG-SG 2.03Å; C41-C57 PolarHBondContact SG-SG 2.81Å |
| 42 | C | 84.5 | Confident | 79.5 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 14% | 0.142 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -62 | 161.3 | 173.5 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | C26 R27 N44 F45 | C26-C42 HydrophobicContact CB-CB 3.83Å; C26-C42 WeakPolarHBondContact CB-SG 3.44Å; C26-C42 PolarHBondContact O-SG 3.47Å; C26-C42 WeakPolarHBondContact SG-CA 3.29Å; C26-C42 WeakPolarHBondContact SG-CB 3.47Å; C26-C42 CovalentContact SG-SG 2.04Å; C26-C42 PolarHBondContact SG-SG 3.13Å; R27-C42 PolarHBondContact O-N 2.73Å; C42-N44 PolarHBondContact O-N 3.38Å; C42-F45 HydrophobicContact CB-CD2 3.98Å; C42-F45 HydrophobicContact CB-CE2 4.21Å; C42-F45 PolarHBondContact O-N 3.41Å |
| 43 | E | 77.2 | Confident | 78.9 | Confident | 174 Ų | 174 | 74.2 Ų | 74.2 | 81% | 0.813 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 130.9 | 178.9 | -151.8 | 174.6 | 137.2 | 0 | 0 | 110.6 | ||
| 44 | N | 78 | Confident | 78.8 | Confident | 126 Ų | 126 | 75.9 Ų | 75.9 | 67% | 0.674 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 2.6 | -174.8 | -46.5 | -74.7 | 0 | 0 | 0 | 117.4 | C42 | C42-N44 PolarHBondContact O-N 3.38Š|
| 45 | F | 86.6 | Confident | 79.2 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 29% | 0.285 | 39% | 0.388 | S | S | . | . | trans | -112.9 | 145.8 | 175.5 | -54.1 | -36.6 | 0 | 0 | 0 | 112.3 | V29 C41 C42 C57 P59 | V29-F45 HydrophobicContact CG2-CD1 3.65Å; V29-F45 HydrophobicContact CG2-CD2 3.94Å; V29-F45 HydrophobicContact CG2-CE1 3.44Å; V29-F45 VanDerWaalsContact CG2-CE1 3.44Å; V29-F45 HydrophobicContact CG2-CE2 3.76Å; V29-F45 HydrophobicContact CG2-CG 3.9Å; V29-F45 HydrophobicContact CG2-CZ 3.51Å; C41-F45 HydrophobicContact CB-CB 3.91Å; C41-F45 WeakPolarHBondContact CB-O 3.01Å; C42-F45 HydrophobicContact CB-CD2 3.98Å; C42-F45 HydrophobicContact CB-CE2 4.21Å; C42-F45 PolarHBondContact O-N 3.41Å; F45-C57 HydrophobicContact CB-CB 4.36Å; F45-P59 HydrophobicContact CD1-CB 4.25Å; F45-P59 HydrophobicContact CE1-CB 4.4Å | ||
| 46 | Y | 87.3 | Confident | 80.1 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.9 | -178.1 | -56.4 | -68.5 | 0 | 0 | 0 | 110.4 | G48 Q58 P59 E72 | Y46-G48 PolarHBondContact O-N 3.25Å; Y46-G48 VanDerWaalsContact O-N 3.14Å; Y46-Q58 PolarHBondContact N-O 2.86Å; Y46-Q58 PolarHBondContact O-N 3.35Å; Y46-P59 WeakPolarHBondContact CD2-O 3.36Å; Y46-E72 HydrophobicContact CD1-CB 4.23Å; Y46-E72 HydrophobicContact CD1-CG 3.57Å; Y46-E72 HydrophobicContact CD2-CB 4.36Å; Y46-E72 HydrophobicContact CD2-CG 4.49Å; Y46-E72 HydrophobicContact CE1-CB 4.36Å; Y46-E72 HydrophobicContact CE1-CG 3.52Å; Y46-E72 HydrophobicContact CE2-CB 4.48Å; Y46-E72 HydrophobicContact CE2-CG 4.45Å; Y46-E72 HydrophobicContact CG-CB 4.2Å; Y46-E72 HydrophobicContact CG-CG 4.05Å |
| 47 | C | 88.3 | Confident | 80.8 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 14% | 0.142 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 100 | 176.7 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | C33 L49 | C33-C47 HydrophobicContact CB-CB 3.91Å; C33-C47 WeakPolarHBondContact CB-SG 3.42Å; C33-C47 PolarHBondContact O-SG 2.81Å; C33-C47 VanDerWaalsContact O-SG 3.41Å; C33-C47 WeakPolarHBondContact SG-CA 3.21Å; C33-C47 WeakPolarHBondContact SG-CB 3.28Å; C33-C47 CovalentContact SG-SG 2.03Å; C33-C47 PolarHBondContact SG-SG 3.43Å; C47-L49 PolarHBondContact O-N 2.04Å |
| 48 | G | 87.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 96.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y46 N50 G55 Q56 Y65 | Y46-G48 PolarHBondContact O-N 3.25Å; Y46-G48 VanDerWaalsContact O-N 3.14Å; G48-N50 PolarHBondContact O-N 2.98Å; G48-G55 CarbonylContact O-C 3.58Å; G48-G55 WeakPolarHBondContact O-CA 3.48Å; G48-Q56 PolarHBondContact N-O 3.14Å; G48-Q56 PolarHBondContact O-N 3.22Å; G48-Y65 VanDerWaalsContact C-CD1 3.47Å; G48-Y65 VanDerWaalsContact CA-CD1 3.45Å; G48-Y65 WeakPolarHBondContact O-CE1 3.06Å |
| 49 | L | 85.2 | Confident | 82.5 | Confident | 39 Ų | 39 | 62.4 Ų | 62.4 | 20% | 0.204 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 118.8 | 175.3 | -68.3 | 175.5 | 0 | 0 | 0 | 110.4 | K35 C47 S54 | K35-L49 HydrophobicContact CB-CD1 4.07Å; K35-L49 HydrophobicContact CB-CD2 4.22Å; K35-L49 HydrophobicContact CB-CG 4.39Å; K35-L49 HydrophobicContact CD-CD1 3.65Å; K35-L49 HydrophobicContact CD-CG 4.36Å; C47-L49 PolarHBondContact O-N 2.04Å; L49-S54 WeakPolarHBondContact CA-O 3.07Å; L49-S54 WeakPolarHBondContact CD2-O 3.5Å |
| 50 | N | 72.4 | Confident | 83 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -22.8 | 169.9 | 60.2 | 21 | 0 | 0 | 0 | 111.4 | G48 S54 | G48-N50 PolarHBondContact O-N 2.98Å; N50-S54 PolarHBondContact N-O 2.9Å; N50-S54 VanDerWaalsContact N-O 3.17Å; N50-S54 PolarHBondContact OD1-O 2.88Å |
| 51 | T | 74.6 | Confident | 83.2 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 52% | 0.515 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 176.4 | -176.2 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | F53 S54 | T51-F53 PolarHBondContact O-N 3.03Å; T51-S54 PolarHBondContact N-O 3.36Å; T51-S54 VanDerWaalsContact N-O 3.16Å; T51-S54 WeakPolarHBondContact OG1-CB 3.48Å; T51-S54 PolarHBondContact OG1-O 2.03Å |
| 52 | L | 76.5 | Confident | 83.1 | Confident | 158 Ų | 158 | 59.8 Ų | 59.8 | 83% | 0.827 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 109.2 | 174.4 | -76.8 | 155.2 | 0 | 0 | 0 | 109.5 | S54 | L52-S54 PolarHBondContact O-N 2.03Š|
| 53 | F | 73.8 | Confident | 83 | Confident | 142 Ų | 142 | 59.4 Ų | 59.4 | 62% | 0.623 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 6.8 | 176.4 | -47.4 | -77.7 | 0 | 0 | 0 | 117.1 | S34 T51 | S34-F53 VanDerWaalsContact CA-O 3.28Å; S34-F53 WeakPolarHBondContact CA-O 2.99Å; S34-F53 WeakPolarHBondContact CB-O 3.31Å; S34-F53 PolarHBondContact OG-O 3.38Å; T51-F53 PolarHBondContact O-N 3.03Å |
| 54 | S | 81.7 | Confident | 83.2 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.4 | 169 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | L49 N50 T51 L52 | L49-S54 WeakPolarHBondContact CA-O 3.07Å; L49-S54 WeakPolarHBondContact CD2-O 3.5Å; N50-S54 PolarHBondContact N-O 2.9Å; N50-S54 VanDerWaalsContact N-O 3.17Å; N50-S54 PolarHBondContact OD1-O 2.88Å; T51-S54 PolarHBondContact N-O 3.36Å; T51-S54 VanDerWaalsContact N-O 3.16Å; T51-S54 WeakPolarHBondContact OG1-CB 3.48Å; T51-S54 PolarHBondContact OG1-O 2.03Å; L52-S54 PolarHBondContact O-N 2.03Å |
| 55 | G | 87.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | -176.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E32 C33 G48 | E32-G55 CarbonylContact C-O 3.6Å; E32-G55 WeakPolarHBondContact CA-O 3.34Å; C33-G55 PolarHBondContact N-O 3.3Å; C33-G55 CarbonylContact O-C 3.54Å; C33-G55 WeakPolarHBondContact O-CA 3.5Å; C33-G55 PolarHBondContact O-N 2.79Å; G48-G55 CarbonylContact O-C 3.58Å; G48-G55 WeakPolarHBondContact O-CA 3.48Å |
| 56 | Q | 88.2 | Confident | 83.6 | Confident | 77 Ų | 77 | 50 Ų | 50 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.6 | 175.6 | -67.6 | 174.6 | 12.9 | 0 | 0 | 110 | Q31 G48 Q58 | Q31-Q56 WeakPolarHBondContact O-CA 3.06Å; G48-Q56 PolarHBondContact N-O 3.14Å; G48-Q56 PolarHBondContact O-N 3.22Å; Q56-Q58 PolarHBondContact O-N 2.84Å |
| 57 | C | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 124.7 | 172.4 | -63.9 | 0 | 0 | 0 | 0 | 109.4 | R27 T28 V29 G30 Q31 C33 C41 F45 | R27-C57 VanDerWaalsContact CB-SG 3.55Å; T28-C57 WeakPolarHBondContact O-CB 3.34Å; V29-C57 CarbonylContact C-O 3.54Å; V29-C57 WeakPolarHBondContact CA-O 3.38Å; G30-C57 PolarHBondContact N-O 3.19Å; Q31-C57 PolarHBondContact O-N 3.17Å; C33-C57 VanDerWaalsContact CB-SG 3.56Å; C41-C57 WeakPolarHBondContact CA-SG 3.45Å; C41-C57 HydrophobicContact CB-CB 3.87Å; C41-C57 WeakPolarHBondContact CB-SG 3.44Å; C41-C57 WeakPolarHBondContact SG-CA 3.47Å; C41-C57 WeakPolarHBondContact SG-CB 3.04Å; C41-C57 CovalentContact SG-SG 2.03Å; C41-C57 PolarHBondContact SG-SG 2.81Å; F45-C57 HydrophobicContact CB-CB 4.36Å |
| 58 | Q | 86.8 | Confident | 83.5 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 146.2 | 178.1 | -66.2 | -179.1 | -10.2 | 0 | 0 | 109.3 | Y46 Q56 C60 Y65 | Y46-Q58 PolarHBondContact N-O 2.86Å; Y46-Q58 PolarHBondContact O-N 3.35Å; Q56-Q58 PolarHBondContact O-N 2.84Å; Q58-C60 PolarHBondContact O-N 3.02Å; Q58-Y65 PolarHBondContact NE2-OH 3.11Å |
| 59 | P | 85.4 | Confident | 83.5 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 49% | 0.494 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -63.8 | -30.6 | 175 | 26.9 | -34.4 | 0 | 0 | 0 | 112.5 | F45 Y46 | F45-P59 HydrophobicContact CD1-CB 4.25Å; F45-P59 HydrophobicContact CE1-CB 4.4Å; Y46-P59 WeakPolarHBondContact CD2-O 3.36Å |
| 60 | C | 85.6 | Confident | 83.6 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -150 | 140.4 | 172.3 | 62.9 | 0 | 0 | 0 | 0 | 108.3 | Q58 A62 C74 K88 | Q58-C60 PolarHBondContact O-N 3.02Å; C60-A62 PolarHBondContact O-N 3.33Å; C60-C74 HydrophobicContact CB-CB 3.64Å; C60-C74 WeakPolarHBondContact CB-SG 3.33Å; C60-C74 WeakPolarHBondContact SG-CB 3.31Å; C60-C74 CovalentContact SG-SG 2.01Å; C60-C74 PolarHBondContact SG-SG 3.21Å; C60-K88 PolarHBondContact O-NZ 3.34Å; C60-K88 PolarHBondContact SG-NZ 3.34Å |
| 61 | L | 86.2 | Confident | 84.2 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -68.1 | 129.8 | 178 | -62 | 176.5 | 0 | 0 | 0 | 109.4 | F66 C67 E72 C74 C83 K88 | L61-F66 VanDerWaalsContact CD1-O 3.28Å; L61-F66 WeakPolarHBondContact CD1-O 3.41Å; L61-C67 HydrophobicContact CD1-CB 4.11Å; L61-E72 WeakPolarHBondContact CB-O 3.17Å; L61-E72 HydrophobicContact CD1-CB 3.74Å; L61-E72 HydrophobicContact CG-CB 4.35Å; L61-E72 PolarHBondContact N-O 3.34Å; L61-C74 PolarHBondContact O-N 2.89Å; L61-C83 WeakPolarHBondContact CB-SG 3.37Å; L61-K88 VanDerWaalsContact C-NZ 3.33Å; L61-K88 PolarHBondContact O-NZ 2.8Å |
| 62 | A | 82.2 | Confident | 84.6 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 166.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | C60 Y65 C83 K88 | C60-A62 PolarHBondContact O-N 3.33Å; A62-Y65 HydrophobicContact CB-CD2 3.78Å; A62-Y65 HydrophobicContact CB-CE2 3.8Å; A62-Y65 WeakPolarHBondContact O-CB 3.28Å; A62-Y65 VanDerWaalsContact O-CD2 3.31Å; A62-Y65 WeakPolarHBondContact O-CD2 3.32Å; A62-Y65 PolarHBondContact O-N 3.47Å; A62-C83 WeakPolarHBondContact O-CB 3.26Å; A62-K88 VanDerWaalsContact CA-NZ 3.27Å; A62-K88 HydrophobicContact CB-CD 3.69Å; A62-K88 VanDerWaalsContact N-NZ 3.14Å |
| 63 | G | 82.2 | Confident | 85.1 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 156.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y65 C83 D85 | G63-Y65 PolarHBondContact O-N 3.11Å; G63-C83 CarbonylContact C-O 3.53Å; G63-C83 WeakPolarHBondContact CA-O 3.08Å; G63-D85 WeakPolarHBondContact CA-OD2 3.39Å; G63-D85 PolarHBondContact N-OD2 3.42Å |
| 64 | G | 82.3 | Confident | 85.6 | Confident | 49 Ų | 49 | 48.6 Ų | 48.6 | 51% | 0.505 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -24.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C83 | G64-C83 PolarHBondContact N-O 2.79Š|
| 65 | Y | 85.5 | Confident | 85.7 | Confident | 56 Ų | 56 | 49 Ų | 49 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -71.1 | 151 | 175.1 | -74.8 | -89.4 | 0 | 0 | 0 | 112.6 | G48 Q58 A62 G63 C67 K82 C83 | G48-Y65 VanDerWaalsContact C-CD1 3.47Å; G48-Y65 VanDerWaalsContact CA-CD1 3.45Å; G48-Y65 WeakPolarHBondContact O-CE1 3.06Å; Q58-Y65 PolarHBondContact NE2-OH 3.11Å; A62-Y65 HydrophobicContact CB-CD2 3.78Å; A62-Y65 HydrophobicContact CB-CE2 3.8Å; A62-Y65 WeakPolarHBondContact O-CB 3.28Å; A62-Y65 VanDerWaalsContact O-CD2 3.31Å; A62-Y65 WeakPolarHBondContact O-CD2 3.32Å; A62-Y65 PolarHBondContact O-N 3.47Å; G63-Y65 PolarHBondContact O-N 3.11Å; Y65-C67 PolarHBondContact O-N 2.68Å; Y65-K82 CarbonylContact O-C 3.53Å; Y65-K82 VanDerWaalsContact O-CA 3.26Å; Y65-K82 WeakPolarHBondContact O-CA 3.28Å; Y65-C83 PolarHBondContact O-N 2.9Å |
| 66 | F | 86.8 | Confident | 85.6 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -72.9 | 123.5 | -179 | -170.5 | -82.1 | 0 | 0 | 0 | 112 | L61 W68 L81 | L61-F66 VanDerWaalsContact CD1-O 3.28Å; L61-F66 WeakPolarHBondContact CD1-O 3.41Å; F66-W68 AromaticContact CE1-CD2 3.78Å; F66-W68 HydrophobicContact CE1-CD2 3.78Å; F66-W68 AromaticContact CE1-CE2 3.52Å; F66-W68 HydrophobicContact CE1-CE3 4.11Å; F66-W68 HydrophobicContact CE1-CG 4.4Å; F66-W68 AromaticContact CE1-CH2 3.93Å; F66-W68 HydrophobicContact CE1-CH2 3.93Å; F66-W68 AromaticContact CE1-CZ2 3.61Å; F66-W68 HydrophobicContact CE1-CZ2 3.61Å; F66-W68 HydrophobicContact CE1-CZ3 4.18Å; F66-W68 HydrophobicContact CZ-CD2 4.49Å; F66-W68 HydrophobicContact CZ-CE3 4.38Å; F66-W68 AromaticContact CZ-CH2 3.9Å; F66-W68 HydrophobicContact CZ-CH2 3.9Å; F66-W68 HydrophobicContact CZ-CZ2 4.02Å; F66-W68 HydrophobicContact CZ-CZ3 4.1Å; F66-L81 VanDerWaalsContact CA-O 3.28Å; F66-L81 WeakPolarHBondContact CA-O 3.36Å; F66-L81 HydrophobicContact CD2-CB 4.11Å; F66-L81 WeakPolarHBondContact CD2-O 3.42Å; F66-L81 HydrophobicContact CE2-CB 3.61Å; F66-L81 HydrophobicContact CE2-CD1 3.97Å; F66-L81 HydrophobicContact CE2-CG 4.25Å; F66-L81 HydrophobicContact CZ-CB 4.03Å; F66-L81 HydrophobicContact CZ-CD1 4.19Å; F66-L81 HydrophobicContact CZ-CD2 4.16Å; F66-L81 HydrophobicContact CZ-CG 4.36Å |
| 67 | C | 87.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -124.2 | 151.9 | 179.9 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | L61 Y65 C73 C78 L81 K82 C83 | L61-C67 HydrophobicContact CD1-CB 4.11Å; Y65-C67 PolarHBondContact O-N 2.68Å; C67-C73 VanDerWaalsContact CB-SG 3.52Å; C67-C78 HydrophobicContact CB-CB 3.84Å; C67-C78 WeakPolarHBondContact CB-SG 3.11Å; C67-C78 PolarHBondContact O-SG 3.3Å; C67-C78 WeakPolarHBondContact SG-CA 3.49Å; C67-C78 WeakPolarHBondContact SG-CB 2.93Å; C67-C78 CovalentContact SG-SG 2.02Å; C67-C78 PolarHBondContact SG-SG 3.3Å; C67-L81 PolarHBondContact N-O 2.97Å; C67-L81 VanDerWaalsContact N-O 3.11Å; C67-K82 PolarHBondContact SG-O 3.24Å; C67-C83 VanDerWaalsContact CB-SG 3.55Å; C67-C83 PolarHBondContact SG-N 3.28Å | ||
| 68 | W | 86.9 | Confident | 85.6 | Confident | 164 Ų | 164 | 55.2 Ų | 55.2 | 62% | 0.621 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -103.5 | -32.1 | 170.6 | -65.7 | 115.7 | 0 | 0 | 0 | 112.3 | F66 E72 L81 | F66-W68 AromaticContact CE1-CD2 3.78Å; F66-W68 HydrophobicContact CE1-CD2 3.78Å; F66-W68 AromaticContact CE1-CE2 3.52Å; F66-W68 HydrophobicContact CE1-CE3 4.11Å; F66-W68 HydrophobicContact CE1-CG 4.4Å; F66-W68 AromaticContact CE1-CH2 3.93Å; F66-W68 HydrophobicContact CE1-CH2 3.93Å; F66-W68 AromaticContact CE1-CZ2 3.61Å; F66-W68 HydrophobicContact CE1-CZ2 3.61Å; F66-W68 HydrophobicContact CE1-CZ3 4.18Å; F66-W68 HydrophobicContact CZ-CD2 4.49Å; F66-W68 HydrophobicContact CZ-CE3 4.38Å; F66-W68 AromaticContact CZ-CH2 3.9Å; F66-W68 HydrophobicContact CZ-CH2 3.9Å; F66-W68 HydrophobicContact CZ-CZ2 4.02Å; F66-W68 HydrophobicContact CZ-CZ3 4.1Å; W68-E72 WeakPolarHBondContact CA-OE2 3.43Å; W68-E72 WeakPolarHBondContact CB-OE2 3.5Å; W68-E72 PolarHBondContact N-OE2 3.29Å; W68-L81 HydrophobicContact CE3-CD2 4.47Å; W68-L81 HydrophobicContact CZ3-CD2 4.47Å |
| 69 | T | 86.8 | Confident | 85.8 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -133.3 | 151.1 | -175.5 | 60.4 | 0 | 0 | 0 | 0 | 109.8 | K71 E72 | T69-K71 VanDerWaalsContact C-N 3.26Å; T69-K71 PolarHBondContact O-N 3.27Å; T69-E72 PolarHBondContact N-OE2 3.15Å; T69-E72 PolarHBondContact O-N 3.44Å; T69-E72 WeakPolarHBondContact OG1-CG 3.2Å; T69-E72 PolarHBondContact OG1-OE2 3.01Å |
| 70 | D | 87.1 | Confident | 86 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -61 | -32.1 | 179.4 | 48.2 | -82.8 | 0 | 0 | 0 | 113.7 | E72 C73 G76 | D70-E72 VanDerWaalsContact C-N 3.26Å; D70-E72 PolarHBondContact O-N 3.32Å; D70-C73 WeakPolarHBondContact O-CB 3.01Å; D70-C73 PolarHBondContact O-N 2.01Å; D70-G76 CarbonylContact O-C 3.41Å; D70-G76 WeakPolarHBondContact O-CA 2.99Å |
| 71 | K | 85 | Confident | 86 | Confident | 169 Ų | 169 | 67.9 Ų | 67.9 | 74% | 0.735 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -68.4 | -20 | 180 | -60.3 | -179.1 | -176.5 | 173.7 | 0 | 114.3 | T69 C73 | T69-K71 VanDerWaalsContact C-N 3.26Å; T69-K71 PolarHBondContact O-N 3.27Å; K71-C73 VanDerWaalsContact C-N 3.28Å |
| 72 | E | 84.2 | Confident | 86.1 | Confident | 18 Ų | 18 | 73.5 Ų | 73.5 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -72.3 | -28.6 | 175.4 | -68.1 | 170.1 | 87.3 | 0 | 0 | 111.3 | Y46 L61 W68 T69 D70 | Y46-E72 HydrophobicContact CD1-CB 4.23Å; Y46-E72 HydrophobicContact CD1-CG 3.57Å; Y46-E72 HydrophobicContact CD2-CB 4.36Å; Y46-E72 HydrophobicContact CD2-CG 4.49Å; Y46-E72 HydrophobicContact CE1-CB 4.36Å; Y46-E72 HydrophobicContact CE1-CG 3.52Å; Y46-E72 HydrophobicContact CE2-CB 4.48Å; Y46-E72 HydrophobicContact CE2-CG 4.45Å; Y46-E72 HydrophobicContact CG-CB 4.2Å; Y46-E72 HydrophobicContact CG-CG 4.05Å; L61-E72 WeakPolarHBondContact CB-O 3.17Å; L61-E72 HydrophobicContact CD1-CB 3.74Å; L61-E72 HydrophobicContact CG-CB 4.35Å; L61-E72 PolarHBondContact N-O 3.34Å; W68-E72 WeakPolarHBondContact CA-OE2 3.43Å; W68-E72 WeakPolarHBondContact CB-OE2 3.5Å; W68-E72 PolarHBondContact N-OE2 3.29Å; T69-E72 PolarHBondContact N-OE2 3.15Å; T69-E72 PolarHBondContact O-N 3.44Å; T69-E72 WeakPolarHBondContact OG1-CG 3.2Å; T69-E72 PolarHBondContact OG1-OE2 3.01Å; D70-E72 VanDerWaalsContact C-N 3.26Å; D70-E72 PolarHBondContact O-N 3.32Å |
| 73 | C | 86.4 | Confident | 86.3 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -83.6 | 134.3 | -177.1 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | C67 D70 K71 S75 G76 C83 | C67-C73 VanDerWaalsContact CB-SG 3.52Å; D70-C73 WeakPolarHBondContact O-CB 3.01Å; D70-C73 PolarHBondContact O-N 2.01Å; K71-C73 VanDerWaalsContact C-N 3.28Å; C73-S75 PolarHBondContact O-N 2.64Å; C73-S75 VanDerWaalsContact O-N 3.16Å; C73-G76 PolarHBondContact O-N 3.42Å; C73-C83 WeakPolarHBondContact CA-SG 2.96Å; C73-C83 HydrophobicContact CB-CB 3.62Å; C73-C83 WeakPolarHBondContact CB-SG 3.41Å; C73-C83 WeakPolarHBondContact SG-CA 3.38Å; C73-C83 WeakPolarHBondContact SG-CB 3.47Å; C73-C83 CovalentContact SG-SG 2.02Å; C73-C83 PolarHBondContact SG-SG 2.02Å |
| 74 | C | 84.8 | Confident | 86.4 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 47% | 0.466 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.8 | 174.7 | -123.2 | 0 | 0 | 0 | 0 | 113.2 | C60 L61 G76 K88 | C60-C74 HydrophobicContact CB-CB 3.64Å; C60-C74 WeakPolarHBondContact CB-SG 3.33Å; C60-C74 WeakPolarHBondContact SG-CB 3.31Å; C60-C74 CovalentContact SG-SG 2.01Å; C60-C74 PolarHBondContact SG-SG 3.21Å; L61-C74 PolarHBondContact O-N 2.89Å; C74-G76 VanDerWaalsContact C-N 3.27Å; C74-K88 HydrophobicContact CB-CD 3.6Å; C74-K88 VanDerWaalsContact CB-NZ 3.28Å; C74-K88 WeakPolarHBondContact SG-CE 3.34Å |
| 75 | S | 83.3 | Confident | 85.9 | Confident | 45 Ų | 45 | 75.6 Ų | 75.6 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -2.1 | 174.6 | -49.6 | 0 | 0 | 0 | 0 | 113.4 | C73 K77 T84 P86 | C73-S75 PolarHBondContact O-N 2.64Å; C73-S75 VanDerWaalsContact O-N 3.16Å; S75-K77 PolarHBondContact O-N 2.82Å; S75-T84 WeakPolarHBondContact CB-O 3.34Å; S75-T84 PolarHBondContact OG-O 3.39Å; S75-P86 VanDerWaalsContact OG-CD 3.22Å; S75-P86 WeakPolarHBondContact OG-CD 3.33Å |
| 76 | G | 85.7 | Confident | 84.6 | Confident | 47 Ų | 47 | 77.4 Ų | 77.4 | 49% | 0.485 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 66.2 | 19.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | D70 C73 C74 | D70-G76 CarbonylContact O-C 3.41Å; D70-G76 WeakPolarHBondContact O-CA 2.99Å; C73-G76 PolarHBondContact O-N 3.42Å; C74-G76 VanDerWaalsContact C-N 3.27Å |
| 77 | K | 88.2 | Confident | 83.4 | Confident | 126 Ų | 126 | 79.8 Ų | 79.8 | 55% | 0.548 | 41% | 0.412 | S | S | . | . | trans | -143.4 | 110.5 | -178 | -166.8 | 171.7 | -176 | 175.7 | 0 | 111.8 | S75 T84 | S75-K77 PolarHBondContact O-N 2.82Å; K77-T84 PolarHBondContact O-N 3.19Å; K77-T84 PolarHBondContact O-OG1 2.95Å | ||
| 78 | C | 89.2 | Confident | 81.9 | Confident | 35 Ų | 35 | 81.9 Ų | 81.9 | 24% | 0.236 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.3 | 167.9 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | C67 | C67-C78 HydrophobicContact CB-CB 3.84Å; C67-C78 WeakPolarHBondContact CB-SG 3.11Å; C67-C78 PolarHBondContact O-SG 3.3Å; C67-C78 WeakPolarHBondContact SG-CA 3.49Å; C67-C78 WeakPolarHBondContact SG-CB 2.93Å; C67-C78 CovalentContact SG-SG 2.02Å; C67-C78 PolarHBondContact SG-SG 3.3Å |
| 79 | S | 90 | Very high | 80.4 | Confident | 65 Ų | 65 | 79 Ų | 79 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.6 | 179.2 | -166.1 | 0 | 0 | 0 | 0 | 109.8 | L81 K82 | S79-L81 VanDerWaalsContact C-N 3.27Å; S79-L81 PolarHBondContact O-N 2.91Å; S79-K82 CarbonylContact C-O 3.54Å; S79-K82 PolarHBondContact N-O 3.31Å; S79-K82 CarbonylContact O-C 3.53Å; S79-K82 PolarHBondContact O-N 2.94Å |
| 80 | W | 89.8 | Confident | 79.2 | Confident | 240 Ų | 240 | 79.7 Ų | 79.7 | 91% | 0.909 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 41.7 | -178.1 | -156.4 | -108.4 | 0 | 0 | 0 | 113.6 | K82 | W80-K82 PolarHBondContact O-N 3.43Å; W80-K82 VanDerWaalsContact O-N 3.11Å |
| 81 | L | 86.9 | Confident | 77.8 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 16.8 | -175.7 | -55.6 | 169.6 | 0 | 0 | 0 | 114.2 | F66 C67 W68 S79 | F66-L81 VanDerWaalsContact CA-O 3.28Å; F66-L81 WeakPolarHBondContact CA-O 3.36Å; F66-L81 HydrophobicContact CD2-CB 4.11Å; F66-L81 WeakPolarHBondContact CD2-O 3.42Å; F66-L81 HydrophobicContact CE2-CB 3.61Å; F66-L81 HydrophobicContact CE2-CD1 3.97Å; F66-L81 HydrophobicContact CE2-CG 4.25Å; F66-L81 HydrophobicContact CZ-CB 4.03Å; F66-L81 HydrophobicContact CZ-CD1 4.19Å; F66-L81 HydrophobicContact CZ-CD2 4.16Å; F66-L81 HydrophobicContact CZ-CG 4.36Å; C67-L81 PolarHBondContact N-O 2.97Å; C67-L81 VanDerWaalsContact N-O 3.11Å; W68-L81 HydrophobicContact CE3-CD2 4.47Å; W68-L81 HydrophobicContact CZ3-CD2 4.47Å; S79-L81 VanDerWaalsContact C-N 3.27Å; S79-L81 PolarHBondContact O-N 2.91Å |
| 82 | K | 87.3 | Confident | 76.5 | Confident | 120 Ų | 120 | 77.4 Ų | 77.4 | 52% | 0.522 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.5 | 177.3 | -66.5 | -175 | 178.8 | -172.5 | 0 | 110.7 | Y65 C67 S79 W80 T84 | Y65-K82 CarbonylContact O-C 3.53Å; Y65-K82 VanDerWaalsContact O-CA 3.26Å; Y65-K82 WeakPolarHBondContact O-CA 3.28Å; C67-K82 PolarHBondContact SG-O 3.24Å; S79-K82 CarbonylContact C-O 3.54Å; S79-K82 PolarHBondContact N-O 3.31Å; S79-K82 CarbonylContact O-C 3.53Å; S79-K82 PolarHBondContact O-N 2.94Å; W80-K82 PolarHBondContact O-N 3.43Å; W80-K82 VanDerWaalsContact O-N 3.11Å; K82-T84 PolarHBondContact O-N 2.02Å |
| 83 | C | 86.7 | Confident | 74.8 | Confident | 4 Ų | 4 | 86.1 Ų | 86.1 | 3% | 0.027 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 136 | 171.6 | -69.2 | 0 | 0 | 0 | 0 | 109.4 | L61 A62 G63 G64 Y65 C67 C73 | L61-C83 WeakPolarHBondContact CB-SG 3.37Å; A62-C83 WeakPolarHBondContact O-CB 3.26Å; G63-C83 CarbonylContact C-O 3.53Å; G63-C83 WeakPolarHBondContact CA-O 3.08Å; G64-C83 PolarHBondContact N-O 2.79Å; Y65-C83 PolarHBondContact O-N 2.9Å; C67-C83 VanDerWaalsContact CB-SG 3.55Å; C67-C83 PolarHBondContact SG-N 3.28Å; C73-C83 WeakPolarHBondContact CA-SG 2.96Å; C73-C83 HydrophobicContact CB-CB 3.62Å; C73-C83 WeakPolarHBondContact CB-SG 3.41Å; C73-C83 WeakPolarHBondContact SG-CA 3.38Å; C73-C83 WeakPolarHBondContact SG-CB 3.47Å; C73-C83 CovalentContact SG-SG 2.02Å; C73-C83 PolarHBondContact SG-SG 2.02Å |
| 84 | T | 83.9 | Confident | 73.4 | Confident | 54 Ų | 54 | 92.3 Ų | 92.3 | 33% | 0.331 | 48% | 0.48 | S | S | . | . | trans | -75.5 | 128.4 | 174.8 | -52.8 | 0 | 0 | 0 | 0 | 108.1 | S75 K77 K82 P86 | S75-T84 WeakPolarHBondContact CB-O 3.34Å; S75-T84 PolarHBondContact OG-O 3.39Å; K77-T84 PolarHBondContact O-N 3.19Å; K77-T84 PolarHBondContact O-OG1 2.95Å; K82-T84 PolarHBondContact O-N 2.02Å; T84-P86 WeakPolarHBondContact O-CD 3.32Å | ||
| 85 | D | 71.8 | Confident | 72.1 | Confident | 58 Ų | 58 | 94.6 Ų | 94.6 | 31% | 0.31 | 49% | 0.492 | S | S | . | . | trans | -105.3 | 106.3 | 177.5 | -140.8 | -60.6 | 0 | 0 | 0 | 111.1 | G63 K88 | G63-D85 WeakPolarHBondContact CA-OD2 3.39Å; G63-D85 PolarHBondContact N-OD2 3.42Å; D85-K88 VanDerWaalsContact OD1-CB 3.32Å; D85-K88 WeakPolarHBondContact OD1-CB 3.05Å; D85-K88 PolarHBondContact OD1-N 3.32Å | ||
| 86 | P | 58 | Low | 70.6 | Confident | 94 Ų | 94 | 98.8 Ų | 98.8 | 61% | 0.61 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -96.3 | -29.3 | 171 | 27.1 | -22.8 | 0 | 0 | 0 | 114 | S75 T84 | S75-P86 VanDerWaalsContact OG-CD 3.22Å; S75-P86 WeakPolarHBondContact OG-CD 3.33Å; T84-P86 WeakPolarHBondContact O-CD 3.32Å |
| 87 | I | 61.4 | Low | 69.9 | Low | 112 Ų | 112 | 101.4 Ų | 101.4 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -149.4 | -4.7 | -167 | -60.8 | 178.6 | 0 | 0 | 0 | 112.9 | D89 V90 V91 | I87-D89 PolarHBondContact O-N 3.32Å; I87-V90 HydrophobicContact CG2-CB 4.37Å; I87-V90 WeakPolarHBondContact O-CB 3.22Å; I87-V90 PolarHBondContact O-N 3.1Å; I87-V91 HydrophobicContact CG2-CG2 4.43Å |
| 88 | K | 56.6 | Low | 68.9 | Low | 43 Ų | 43 | 100.1 Ų | 100.1 | 19% | 0.187 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -75.5 | -29 | -156.9 | -150.4 | -173.6 | 171.6 | -162 | 0 | 114.3 | C60 L61 A62 C74 D85 V90 | C60-K88 PolarHBondContact O-NZ 3.34Å; C60-K88 PolarHBondContact SG-NZ 3.34Å; L61-K88 VanDerWaalsContact C-NZ 3.33Å; L61-K88 PolarHBondContact O-NZ 2.8Å; A62-K88 VanDerWaalsContact CA-NZ 3.27Å; A62-K88 HydrophobicContact CB-CD 3.69Å; A62-K88 VanDerWaalsContact N-NZ 3.14Å; C74-K88 HydrophobicContact CB-CD 3.6Å; C74-K88 VanDerWaalsContact CB-NZ 3.28Å; C74-K88 WeakPolarHBondContact SG-CE 3.34Å; D85-K88 VanDerWaalsContact OD1-CB 3.32Å; D85-K88 WeakPolarHBondContact OD1-CB 3.05Å; D85-K88 PolarHBondContact OD1-N 3.32Å; K88-V90 PolarHBondContact O-N 2.92Å |
| 89 | D | 54.5 | Low | 67.8 | Low | 103 Ų | 103 | 103.7 Ų | 103.7 | 55% | 0.551 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.1 | -24.3 | 169.3 | -101.1 | -86.7 | 0 | 0 | 0 | 113.8 | I87 V91 R93 | I87-D89 PolarHBondContact O-N 3.32Å; D89-V91 VanDerWaalsContact C-N 3.34Å; D89-R93 WeakPolarHBondContact O-CG 3.1Å; D89-R93 PolarHBondContact O-N 2.99Å |
| 90 | V | 61.4 | Low | 66.5 | Low | 86 Ų | 86 | 105.9 Ų | 105.9 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.3 | -30 | -173.8 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | I87 K88 L94 | I87-V90 HydrophobicContact CG2-CB 4.37Å; I87-V90 WeakPolarHBondContact O-CB 3.22Å; I87-V90 PolarHBondContact O-N 3.1Å; K88-V90 PolarHBondContact O-N 2.92Å; V90-L94 WeakPolarHBondContact O-CG 3.41Å |
| 91 | V | 59.3 | Low | 65 | Low | 77 Ų | 77 | 97.6 Ų | 97.6 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -93.9 | -31.5 | -177.3 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | I87 D89 R93 L94 T95 | I87-V91 HydrophobicContact CG2-CG2 4.43Å; D89-V91 VanDerWaalsContact C-N 3.34Å; V91-R93 PolarHBondContact O-N 2.91Å; V91-L94 PolarHBondContact O-N 2.86Å; V91-T95 PolarHBondContact O-N 3.16Å; V91-T95 PolarHBondContact O-OG1 2.88Å; V91-T95 VanDerWaalsContact O-OG1 3.1Å |
| 92 | E | 56.4 | Low | 63.6 | Low | 130 Ų | 130 | 97.8 Ų | 97.8 | 61% | 0.607 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -57.8 | -35.1 | 169.2 | -110.3 | 169.2 | 104.4 | 0 | 0 | 110.8 | L94 G96 | E92-L94 VanDerWaalsContact C-N 3.26Å; E92-L94 PolarHBondContact O-N 3.34Å; E92-G96 PolarHBondContact O-N 3.27Å |
| 93 | R | 48.9 | Very low | 61.9 | Low | 201 Ų | 201 | 96.2 Ų | 96.2 | 76% | 0.758 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.7 | -12.8 | 170.9 | -85.9 | 177.5 | 147.9 | 141.8 | -3.1 | 116.5 | D89 V91 | D89-R93 WeakPolarHBondContact O-CG 3.1Å; D89-R93 PolarHBondContact O-N 2.99Å; V91-R93 PolarHBondContact O-N 2.91Å |
| 94 | L | 58 | Low | 59.9 | Low | 136 Ų | 136 | 103.3 Ų | 103.3 | 71% | 0.712 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -109.8 | -7.8 | -177.2 | -67.5 | 174.2 | 0 | 0 | 0 | 113.3 | V90 V91 E92 | V90-L94 WeakPolarHBondContact O-CG 3.41Å; V91-L94 PolarHBondContact O-N 2.86Å; E92-L94 VanDerWaalsContact C-N 3.26Å; E92-L94 PolarHBondContact O-N 3.34Å |
| 95 | T | 56.1 | Low | 57.9 | Low | 117 Ų | 117 | 107.4 Ų | 107.4 | 72% | 0.718 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -137.8 | -1.4 | -173.2 | -10.7 | 0 | 0 | 0 | 0 | 115.3 | V91 | V91-T95 PolarHBondContact O-N 3.16Å; V91-T95 PolarHBondContact O-OG1 2.88Å; V91-T95 VanDerWaalsContact O-OG1 3.1Å |
| 96 | G | 53.1 | Low | 56.7 | Low | 132 Ų | 132 | 111.9 Ų | 111.9 | 100% | 1.361 | 64% | 0.642 | S | S | * | * | trans | -74.4 | 0 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E92 | E92-G96 PolarHBondContact O-N 3.27Š|
Retrieved 96 of 96 residues in 22.7 ms
(Link to these results)