| 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 | 47.1 | Very low | 83.2 | Confident | 212 Ų | 212 | 92.5 Ų | 92.5 | 100% | 1.044 | 51% | 0.505 | S | S | * | . | 0 | 114.7 | 0 | -65.2 | -71.7 | -145.5 | 0 | 0 | 105.1 | T3 | M1-T3 PolarHBondContact O-N 3.23Š| |||
| 2 | S | 51 | Low | 84.5 | Confident | 120 Ų | 120 | 86.6 Ų | 86.6 | 84% | 0.839 | 47% | 0.474 | S | S | * | . | trans | -53.2 | 106.8 | -162.4 | 43.5 | 0 | 0 | 0 | 0 | 113 | A4 | S2-A4 PolarHBondContact O-N 3.19Å; S2-A4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | T | 67.4 | Low | 85.5 | Confident | 82 Ų | 82 | 79.9 Ų | 79.9 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | trans | -75.5 | 16.3 | -177.6 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | M1 L5 E6 | M1-T3 PolarHBondContact O-N 3.23Å; T3-L5 VanDerWaalsContact C-N 3.25Å; T3-L5 PolarHBondContact O-N 3.14Å; T3-E6 WeakPolarHBondContact CB-OE2 3.49Å; T3-E6 HydrophobicContact CG2-CG 4.45Å; T3-E6 WeakPolarHBondContact CG2-OE2 3.42Å; T3-E6 WeakPolarHBondContact O-CB 3.22Å; T3-E6 PolarHBondContact O-N 2.8Å | ||
| 4 | A | 82.4 | Confident | 86.4 | Confident | 67 Ų | 67 | 75.4 Ų | 75.4 | 55% | 0.554 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S2 S7 | S2-A4 PolarHBondContact O-N 3.19Å; S2-A4 VanDerWaalsContact O-N 3.14Å; A4-S7 PolarHBondContact O-OG 3.33Å |
| 5 | L | 91.3 | Very high | 87.2 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -15.5 | 176.2 | -66.5 | 178.7 | 0 | 0 | 0 | 113.6 | T3 S7 Y8 I9 F30 I34 L36 I70 | T3-L5 VanDerWaalsContact C-N 3.25Å; T3-L5 PolarHBondContact O-N 3.14Å; L5-S7 PolarHBondContact O-N 3.24Å; L5-Y8 HydrophobicContact CD2-CD2 3.85Å; L5-Y8 HydrophobicContact CD2-CE2 4.38Å; L5-Y8 PolarHBondContact O-N 2.69Å; L5-I9 PolarHBondContact O-N 3.4Å; L5-F30 HydrophobicContact CB-CD1 3.85Å; L5-F30 HydrophobicContact CB-CD2 4.15Å; L5-F30 HydrophobicContact CB-CE1 3.69Å; L5-F30 HydrophobicContact CB-CE2 4Å; L5-F30 HydrophobicContact CB-CG 4.09Å; L5-F30 HydrophobicContact CB-CZ 3.78Å; L5-F30 HydrophobicContact CD1-CB 4.47Å; L5-F30 HydrophobicContact CD1-CD2 4.1Å; L5-F30 HydrophobicContact CD1-CG 4.17Å; L5-I34 HydrophobicContact CD1-CD1 3.8Å; L5-I34 HydrophobicContact CD1-CG2 4.19Å; L5-L36 HydrophobicContact CD1-CD2 4.49Å; L5-I70 HydrophobicContact CD1-CD1 3.81Å; L5-I70 HydrophobicContact CD2-CB 4.27Å; L5-I70 HydrophobicContact CD2-CD1 3.54Å; L5-I70 HydrophobicContact CD2-CG1 4.49Å; L5-I70 HydrophobicContact CD2-CG2 3.97Å; L5-I70 HydrophobicContact CG-CD1 4.32Å |
| 6 | E | 94.1 | Very high | 87.9 | Confident | 118 Ų | 118 | 68.2 Ų | 68.2 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -61.8 | -35.8 | 176.4 | -64.9 | -177.9 | 170.7 | 0 | 0 | 110.9 | T3 Y8 I9 F30 | T3-E6 WeakPolarHBondContact CB-OE2 3.49Å; T3-E6 HydrophobicContact CG2-CG 4.45Å; T3-E6 WeakPolarHBondContact CG2-OE2 3.42Å; T3-E6 WeakPolarHBondContact O-CB 3.22Å; T3-E6 PolarHBondContact O-N 2.8Å; E6-Y8 PolarHBondContact O-N 2.86Å; E6-I9 PolarHBondContact O-N 3.37Å; E6-F30 HydrophobicContact CG-CE1 4.34Å; E6-F30 HydrophobicContact CG-CZ 3.8Å |
| 7 | S | 94.4 | Very high | 88.4 | Confident | 63 Ų | 63 | 64.6 Ų | 64.6 | 44% | 0.441 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -67.1 | -16.2 | 175.8 | 51 | 0 | 0 | 0 | 0 | 113.9 | A4 L5 R11 | A4-S7 PolarHBondContact O-OG 3.33Å; L5-S7 PolarHBondContact O-N 3.24Å; S7-R11 WeakPolarHBondContact O-CD 3.16Å; S7-R11 PolarHBondContact O-NE 3.13Å |
| 8 | Y | 96.1 | Very high | 88.8 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -96.8 | -5.9 | -179 | -64.8 | -5.4 | 0 | 0 | 0 | 112.9 | L5 E6 N10 R11 V13 I70 E72 | L5-Y8 HydrophobicContact CD2-CD2 3.85Å; L5-Y8 HydrophobicContact CD2-CE2 4.38Å; L5-Y8 PolarHBondContact O-N 2.69Å; E6-Y8 PolarHBondContact O-N 2.86Å; Y8-N10 PolarHBondContact O-N 3.07Å; Y8-R11 WeakPolarHBondContact O-CB 3.42Å; Y8-R11 PolarHBondContact O-N 3.29Å; Y8-V13 HydrophobicContact CD2-CG1 4.18Å; Y8-V13 HydrophobicContact CG-CG1 4.26Å; Y8-I70 HydrophobicContact CD2-CG2 3.81Å; Y8-I70 HydrophobicContact CE2-CG2 4.08Å; Y8-E72 HydrophobicContact CD1-CB 4.17Å; Y8-E72 HydrophobicContact CE1-CB 3.8Å; Y8-E72 WeakPolarHBondContact CE1-OE2 3.18Å |
| 9 | I | 96.9 | Very high | 89.1 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 132.3 | 175.7 | -68.8 | -68.5 | 0 | 0 | 0 | 110.2 | L5 E6 R11 L27 F30 | L5-I9 PolarHBondContact O-N 3.4Å; E6-I9 PolarHBondContact O-N 3.37Å; I9-R11 PolarHBondContact O-N 3.05Å; I9-L27 HydrophobicContact CD1-CD2 4.35Å; I9-L27 HydrophobicContact CD1-CG 4.27Å; I9-F30 HydrophobicContact CD1-CD1 3.76Å; I9-F30 HydrophobicContact CD1-CE1 3.84Å; I9-F30 HydrophobicContact CG1-CD1 4.38Å; I9-F30 HydrophobicContact CG1-CE1 3.99Å |
| 10 | N | 97.3 | Very high | 89.4 | Confident | 107 Ų | 107 | 60.9 Ų | 60.9 | 57% | 0.572 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 19 | -174.8 | -57.3 | -50.5 | 0 | 0 | 0 | 114.7 | Y8 L27 | Y8-N10 PolarHBondContact O-N 3.07Å; N10-L27 PolarHBondContact N-O 3.3Å |
| 11 | R | 97.7 | Very high | 89.8 | Confident | 113 Ų | 113 | 61.3 Ų | 61.3 | 43% | 0.426 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -105 | 154.7 | 169.4 | -55.8 | -163.7 | -179 | -173.5 | -3 | 110.6 | S7 Y8 I9 T26 L27 E72 | S7-R11 WeakPolarHBondContact O-CD 3.16Å; S7-R11 PolarHBondContact O-NE 3.13Å; Y8-R11 WeakPolarHBondContact O-CB 3.42Å; Y8-R11 PolarHBondContact O-N 3.29Å; I9-R11 PolarHBondContact O-N 3.05Å; R11-T26 WeakPolarHBondContact O-CA 3.47Å; R11-L27 PolarHBondContact O-N 2.97Å; R11-E72 VanDerWaalsContact CD-CD 3.44Å; R11-E72 WeakPolarHBondContact CD-OE1 3.41Å; R11-E72 IonicContact CZ-OE1 3.68Å; R11-E72 IonicContact CZ-OE2 3.75Å; R11-E72 IonicContact NE-OE1 2.89Å; R11-E72 IonicContact NH1-OE1 3.86Å; R11-E72 PolarHBondContact NH1-OE1 2.91Å; R11-E72 IonicContact NH1-OE2 3.32Å; R11-E72 PolarHBondContact NH1-OE2 2.82Å |
| 12 | T | 98 | Very high | 92.2 | Very high | 21 Ų | 21 | 53 Ų | 53 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127 | 170.6 | -61.7 | 0 | 0 | 0 | 0 | 109.6 | V24 I73 E75 | T12-V24 HydrophobicContact CG2-CG1 3.78Å; T12-I73 HydrophobicContact CG2-CB 4.14Å; T12-I73 HydrophobicContact CG2-CD1 4.19Å; T12-I73 HydrophobicContact CG2-CG2 4.48Å; T12-I73 PolarHBondContact O-N 2.79Å; T12-E75 WeakPolarHBondContact CB-OE1 3.42Å; T12-E75 PolarHBondContact OG1-OE1 3.48Å |
| 13 | V | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 146 | -178.4 | -64.6 | 0 | 0 | 0 | 0 | 110.8 | Y8 I15 V24 G25 L27 L38 I70 G71 | Y8-V13 HydrophobicContact CD2-CG1 4.18Å; Y8-V13 HydrophobicContact CG-CG1 4.26Å; V13-I15 HydrophobicContact CB-CD1 4.11Å; V13-I15 HydrophobicContact CG2-CD1 3.62Å; V13-I15 HydrophobicContact CG2-CG1 4.37Å; V13-V24 WeakPolarHBondContact O-CA 3.12Å; V13-G25 WeakPolarHBondContact CG2-O 3.19Å; V13-G25 PolarHBondContact N-O 2.84Å; V13-G25 PolarHBondContact O-N 2.8Å; V13-G25 VanDerWaalsContact O-N 3.09Å; V13-L27 HydrophobicContact CG1-CB 4.41Å; V13-L27 HydrophobicContact CG2-CB 3.94Å; V13-L38 HydrophobicContact CG2-CD2 3.91Å; V13-I70 HydrophobicContact CB-CG2 4.34Å; V13-I70 HydrophobicContact CG1-CG2 4.41Å; V13-G71 CarbonylContact C-O 3.49Å; V13-G71 VanDerWaalsContact CA-O 3.23Å; V13-G71 WeakPolarHBondContact CA-O 3.44Å |
| 14 | A | 98 | Very high | 95.9 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I23 V24 G71 I73 | A14-I23 CarbonylContact C-O 3.59Å; A14-V24 HydrophobicContact CB-CG2 4.22Å; A14-G71 PolarHBondContact N-O 2.83Å; A14-G71 PolarHBondContact O-N 3.16Å; A14-I73 HydrophobicContact CB-CD1 3.67Å; A14-I73 HydrophobicContact CB-CG1 4.04Å |
| 15 | I | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122 | 175.4 | -47.6 | -44.6 | 0 | 0 | 0 | 108.4 | V13 T17 M22 I23 L36 L38 V67 V69 I70 | V13-I15 HydrophobicContact CB-CD1 4.11Å; V13-I15 HydrophobicContact CG2-CD1 3.62Å; V13-I15 HydrophobicContact CG2-CG1 4.37Å; I15-T17 HydrophobicContact CG2-CG2 4.49Å; I15-M22 CarbonylContact O-C 3.59Å; I15-M22 WeakPolarHBondContact O-CA 3.49Å; I15-I23 HydrophobicContact CB-CB 4.47Å; I15-I23 PolarHBondContact N-O 3.21Å; I15-I23 PolarHBondContact O-N 2.78Å; I15-L36 HydrophobicContact CD1-CD1 3.79Å; I15-L36 HydrophobicContact CG1-CD1 3.99Å; I15-L36 HydrophobicContact CG2-CD1 4.14Å; I15-L38 HydrophobicContact CG1-CD1 3.8Å; I15-L38 HydrophobicContact CG1-CD2 4.32Å; I15-V67 HydrophobicContact CG2-CG1 4.22Å; I15-V67 HydrophobicContact CG2-CG2 4.46Å; I15-V69 WeakPolarHBondContact CA-O 3.4Å; I15-I70 HydrophobicContact CD1-CB 4.13Å; I15-I70 HydrophobicContact CD1-CG1 3.95Å; I15-I70 HydrophobicContact CD1-CG2 3.69Å |
| 16 | V | 97.9 | Very high | 97 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 21% | 0.212 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.1 | 165.7 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | R21 M22 A68 V69 L91 | V16-R21 WeakPolarHBondContact CA-O 3.38Å; V16-M22 HydrophobicContact CG2-CE 4.13Å; V16-A68 WeakPolarHBondContact O-CA 3.38Å; V16-A68 WeakPolarHBondContact O-CB 3.24Å; V16-A68 PolarHBondContact O-N 2.91Å; V16-V69 HydrophobicContact CB-CB 4.09Å; V16-V69 HydrophobicContact CG2-CB 4.39Å; V16-V69 PolarHBondContact N-O 2.92Å; V16-V69 PolarHBondContact O-N 2.85Å; V16-V69 VanDerWaalsContact O-N 3.1Å; V16-L91 HydrophobicContact CG1-CD1 4.23Å |
| 17 | T | 97 | Very high | 97.2 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 155.7 | -179.5 | 51.2 | 0 | 0 | 0 | 0 | 111 | I15 D19 G20 R21 I23 V62 N66 | I15-T17 HydrophobicContact CG2-CG2 4.49Å; T17-D19 WeakPolarHBondContact CB-OD1 3.46Å; T17-D19 PolarHBondContact O-N 3.26Å; T17-D19 PolarHBondContact OG1-OD1 3.21Å; T17-G20 PolarHBondContact O-N 3.19Å; T17-R21 PolarHBondContact N-O 2.68Å; T17-R21 WeakPolarHBondContact OG1-CA 3.3Å; T17-R21 VanDerWaalsContact OG1-CB 3.24Å; T17-R21 WeakPolarHBondContact OG1-CB 3.44Å; T17-R21 PolarHBondContact OG1-N 3.09Å; T17-R21 PolarHBondContact OG1-O 3.05Å; T17-I23 HydrophobicContact CG2-CD1 4.19Å; T17-V62 HydrophobicContact CG2-CG1 4.35Å; T17-N66 CarbonylContact C-O 3.59Å; T17-N66 WeakPolarHBondContact CA-O 3.49Å |
| 18 | S | 96.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.4 | -179.8 | 61 | 0 | 0 | 0 | 0 | 114.1 | G20 N66 S93 V94 | S18-G20 VanDerWaalsContact C-N 3.34Å; S18-N66 PolarHBondContact N-O 3.4Å; S18-N66 WeakPolarHBondContact OG-CA 3.45Å; S18-S93 CarbonylContact O-C 3.46Å; S18-S93 VanDerWaalsContact O-CA 3.24Å; S18-S93 WeakPolarHBondContact O-CA 3.35Å; S18-S93 WeakPolarHBondContact O-CB 3.2Å; S18-V94 PolarHBondContact O-N 2.91Å |
| 19 | D | 94.6 | Very high | 97.4 | Very high | 78 Ų | 78 | 34.2 Ų | 34.2 | 42% | 0.417 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2.1 | 176.4 | 60.5 | -26.9 | 0 | 0 | 0 | 113.4 | T17 R21 S93 | T17-D19 WeakPolarHBondContact CB-OD1 3.46Å; T17-D19 PolarHBondContact O-N 3.26Å; T17-D19 PolarHBondContact OG1-OD1 3.21Å; D19-R21 WeakPolarHBondContact OD2-CD 3.45Å; D19-S93 PolarHBondContact O-OG 3.2Å; D19-S93 VanDerWaalsContact O-OG 3.05Å |
| 20 | G | 95.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 35 Ų | 35 | 14% | 0.144 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 94 | 25.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | T17 S18 L91 | T17-G20 PolarHBondContact O-N 3.19Å; S18-G20 VanDerWaalsContact C-N 3.34Å; G20-L91 WeakPolarHBondContact O-CB 3.15Å |
| 21 | R | 96.4 | Very high | 97.4 | Very high | 71 Ų | 71 | 33 Ų | 33 | 27% | 0.268 | 17% | 0.17 | S | C | . | . | trans | -102.8 | 145 | 175.9 | -53.2 | 165.5 | 64 | -160.3 | -1.3 | 110.8 | V16 T17 D19 E43 | V16-R21 WeakPolarHBondContact CA-O 3.38Å; T17-R21 PolarHBondContact N-O 2.68Å; T17-R21 WeakPolarHBondContact OG1-CA 3.3Å; T17-R21 VanDerWaalsContact OG1-CB 3.24Å; T17-R21 WeakPolarHBondContact OG1-CB 3.44Å; T17-R21 PolarHBondContact OG1-N 3.09Å; T17-R21 PolarHBondContact OG1-O 3.05Å; D19-R21 WeakPolarHBondContact OD2-CD 3.45Å; R21-E43 WeakPolarHBondContact CB-OE1 3.45Å; R21-E43 WeakPolarHBondContact CG-OE1 3.34Å; R21-E43 IonicContact CZ-OE1 2.78Å; R21-E43 IonicContact CZ-OE2 2.67Å; R21-E43 IonicContact NE-OE1 3.83Å; R21-E43 PolarHBondContact NE-OE1 2.67Å; R21-E43 IonicContact NE-OE2 3.97Å; R21-E43 PolarHBondContact NE-OE2 2.94Å; R21-E43 IonicContact NH2-OE1 2.76Å; R21-E43 IonicContact NH2-OE2 2.94Å; R21-E43 PolarHBondContact NH2-OE2 2.78Å | ||
| 22 | M | 97.6 | Very high | 97.1 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119 | 171.7 | 180 | 173.3 | -78.4 | 0 | 0 | 109.8 | I15 V16 E43 R44 F46 L91 | I15-M22 CarbonylContact O-C 3.59Å; I15-M22 WeakPolarHBondContact O-CA 3.49Å; V16-M22 HydrophobicContact CG2-CE 4.13Å; M22-E43 CarbonylContact O-C 3.52Å; M22-E43 WeakPolarHBondContact O-CA 3.35Å; M22-R44 HydrophobicContact CB-CB 4.38Å; M22-R44 HydrophobicContact CG-CB 4.35Å; M22-R44 PolarHBondContact O-N 3.13Å; M22-R44 HydrophobicContact SD-CB 4.4Å; M22-F46 HydrophobicContact CB-CE2 3.92Å; M22-F46 HydrophobicContact CE-CE2 4.31Å; M22-F46 HydrophobicContact CE-CZ 4.41Å; M22-F46 HydrophobicContact CG-CE2 4.41Å; M22-F46 HydrophobicContact SD-CE2 3.72Å; M22-F46 HydrophobicContact SD-CZ 3.69Å; M22-L91 HydrophobicContact CB-CD1 4.23Å |
| 23 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.9 | 178.5 | -55.9 | 176 | 0 | 0 | 0 | 108.2 | A14 I15 T17 L38 L57 Y60 V62 | A14-I23 CarbonylContact C-O 3.59Å; I15-I23 HydrophobicContact CB-CB 4.47Å; I15-I23 PolarHBondContact N-O 3.21Å; I15-I23 PolarHBondContact O-N 2.78Å; T17-I23 HydrophobicContact CG2-CD1 4.19Å; I23-L38 HydrophobicContact CG2-CD1 3.8Å; I23-L57 HydrophobicContact CD1-CD1 4.47Å; I23-L57 HydrophobicContact CG2-CD1 4.13Å; I23-Y60 HydrophobicContact CD1-CD1 4.02Å; I23-Y60 HydrophobicContact CD1-CE1 3.45Å; I23-Y60 VanDerWaalsContact CD1-CE1 3.45Å; I23-V62 HydrophobicContact CD1-CG2 4.46Å |
| 24 | V | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 138 | 174 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | T12 V13 A14 S41 H42 R44 I73 | T12-V24 HydrophobicContact CG2-CG1 3.78Å; V13-V24 WeakPolarHBondContact O-CA 3.12Å; A14-V24 HydrophobicContact CB-CG2 4.22Å; V24-S41 CarbonylContact O-C 3.59Å; V24-S41 WeakPolarHBondContact O-CA 3.42Å; V24-S41 WeakPolarHBondContact O-CB 3.13Å; V24-H42 PolarHBondContact N-O 2.86Å; V24-H42 PolarHBondContact O-N 2.74Å; V24-R44 HydrophobicContact CG2-CG 4.34Å; V24-I73 HydrophobicContact CB-CD1 4.33Å; V24-I73 HydrophobicContact CG1-CD1 3.61Å; V24-I73 HydrophobicContact CG2-CD1 3.8Å |
| 25 | G | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | V13 | V13-G25 WeakPolarHBondContact CG2-O 3.19Å; V13-G25 PolarHBondContact N-O 2.84Å; V13-G25 PolarHBondContact O-N 2.8Å; V13-G25 VanDerWaalsContact O-N 3.09Å |
| 26 | T | 98.3 | Very high | 96.8 | Very high | 20 Ų | 20 | 44 Ų | 44 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 123 | 176.1 | -53.3 | 0 | 0 | 0 | 0 | 110.3 | R11 K28 L38 D39 | R11-T26 WeakPolarHBondContact O-CA 3.47Å; T26-K28 HydrophobicContact CG2-CD 4.32Å; T26-K28 PolarHBondContact O-N 2.94Å; T26-K28 VanDerWaalsContact O-N 3.17Å; T26-L38 WeakPolarHBondContact O-CA 3.31Å; T26-D39 PolarHBondContact N-O 3.24Å; T26-D39 PolarHBondContact O-N 2.94Å |
| 27 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 110.3 | 176.8 | -178.3 | 66.3 | 0 | 0 | 0 | 110.5 | I9 N10 R11 V13 G29 F30 L36 L38 | I9-L27 HydrophobicContact CD1-CD2 4.35Å; I9-L27 HydrophobicContact CD1-CG 4.27Å; N10-L27 PolarHBondContact N-O 3.3Å; R11-L27 PolarHBondContact O-N 2.97Å; V13-L27 HydrophobicContact CG1-CB 4.41Å; V13-L27 HydrophobicContact CG2-CB 3.94Å; L27-G29 WeakPolarHBondContact CD1-O 3.24Å; L27-F30 HydrophobicContact CD2-CD1 4.35Å; L27-L36 HydrophobicContact CD1-CB 4.19Å; L27-L36 HydrophobicContact CD1-CD2 4.04Å; L27-L38 HydrophobicContact CB-CD2 4.43Å; L27-L38 HydrophobicContact CD1-CD2 4.09Å |
| 28 | K | 98.2 | Very high | 96.8 | Very high | 94 Ų | 94 | 45.4 Ų | 45.4 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -27.1 | 177.4 | -64.2 | -58.8 | -176.5 | -179 | 0 | 113.3 | T26 I37 D39 | T26-K28 HydrophobicContact CG2-CD 4.32Å; T26-K28 PolarHBondContact O-N 2.94Å; T26-K28 VanDerWaalsContact O-N 3.17Å; K28-I37 HydrophobicContact CB-CG2 4.22Å; K28-I37 PolarHBondContact N-O 2.8Å; K28-D39 HydrophobicContact CD-CB 4.14Å; K28-D39 WeakPolarHBondContact CE-OD2 3.17Å; K28-D39 HydrophobicContact CG-CB 3.59Å; K28-D39 IonicContact NZ-OD2 2.63Å |
| 29 | G | 97.2 | Very high | 96.9 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 17% | 0.165 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | 158.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L27 I37 | L27-G29 WeakPolarHBondContact CD1-O 3.24Å; G29-I37 PolarHBondContact O-N 2.83Å |
| 30 | F | 97.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 50 Ų | 50 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 164.8 | 172.5 | 65.8 | -85.4 | 0 | 0 | 0 | 110.3 | L5 E6 I9 L27 N35 L36 | L5-F30 HydrophobicContact CB-CD1 3.85Å; L5-F30 HydrophobicContact CB-CD2 4.15Å; L5-F30 HydrophobicContact CB-CE1 3.69Å; L5-F30 HydrophobicContact CB-CE2 4Å; L5-F30 HydrophobicContact CB-CG 4.09Å; L5-F30 HydrophobicContact CB-CZ 3.78Å; L5-F30 HydrophobicContact CD1-CB 4.47Å; L5-F30 HydrophobicContact CD1-CD2 4.1Å; L5-F30 HydrophobicContact CD1-CG 4.17Å; E6-F30 HydrophobicContact CG-CE1 4.34Å; E6-F30 HydrophobicContact CG-CZ 3.8Å; I9-F30 HydrophobicContact CD1-CD1 3.76Å; I9-F30 HydrophobicContact CD1-CE1 3.84Å; I9-F30 HydrophobicContact CG1-CD1 4.38Å; I9-F30 HydrophobicContact CG1-CE1 3.99Å; L27-F30 HydrophobicContact CD2-CD1 4.35Å; F30-N35 WeakPolarHBondContact CA-O 3.43Å; F30-L36 HydrophobicContact CB-CD2 3.84Å |
| 31 | D | 95.4 | Very high | 97.2 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | trans | -120.5 | -179.2 | 171.5 | 71.3 | 20.2 | 0 | 0 | 0 | 112.8 | T33 I34 N35 | D31-T33 PolarHBondContact O-N 2.85Å; D31-T33 VanDerWaalsContact O-N 3.14Å; D31-T33 WeakPolarHBondContact OD1-CA 3.33Å; D31-T33 PolarHBondContact OD1-N 2.84Å; D31-T33 PolarHBondContact OD1-OG1 2.65Å; D31-T33 PolarHBondContact OD2-OG1 2.88Å; D31-I34 PolarHBondContact O-N 3.01Å; D31-I34 PolarHBondContact OD1-N 3.44Å; D31-I34 VanDerWaalsContact OD1-N 3.15Å; D31-N35 PolarHBondContact N-O 3.02Å; D31-N35 PolarHBondContact OD1-N 3.44Å; D31-N35 PolarHBondContact OD1-ND2 2.92Å; D31-N35 WeakPolarHBondContact OD2-CB 3.41Å; D31-N35 PolarHBondContact OD2-ND2 2.85Å | ||
| 32 | Q | 92.9 | Very high | 97.3 | Very high | 185 Ų | 185 | 47.6 Ų | 47.6 | 86% | 0.864 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.5 | -177.6 | -63.5 | -178.1 | 12.3 | 0 | 0 | 113.7 | ||
| 33 | T | 93.9 | Very high | 97.3 | Very high | 85 Ų | 85 | 47.2 Ų | 47.2 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 9.5 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | D31 N35 G64 | D31-T33 PolarHBondContact O-N 2.85Å; D31-T33 VanDerWaalsContact O-N 3.14Å; D31-T33 WeakPolarHBondContact OD1-CA 3.33Å; D31-T33 PolarHBondContact OD1-N 2.84Å; D31-T33 PolarHBondContact OD1-OG1 2.65Å; D31-T33 PolarHBondContact OD2-OG1 2.88Å; T33-N35 PolarHBondContact O-N 3Å; T33-N35 PolarHBondContact OG1-ND2 3.47Å; T33-G64 WeakPolarHBondContact O-CA 3.44Å |
| 34 | I | 95.6 | Very high | 97.3 | Very high | 63 Ų | 63 | 48.1 Ų | 48.1 | 32% | 0.323 | 24% | 0.243 | S | C | . | . | trans | 65.1 | 25.7 | 179.8 | -41.4 | -60.1 | 0 | 0 | 0 | 112 | L5 D31 L36 G64 V67 I70 | L5-I34 HydrophobicContact CD1-CD1 3.8Å; L5-I34 HydrophobicContact CD1-CG2 4.19Å; D31-I34 PolarHBondContact O-N 3.01Å; D31-I34 PolarHBondContact OD1-N 3.44Å; D31-I34 VanDerWaalsContact OD1-N 3.15Å; I34-L36 HydrophobicContact CG2-CD2 4.02Å; I34-L36 WeakPolarHBondContact O-CG 3.38Å; I34-L36 PolarHBondContact O-N 3.08Å; I34-G64 VanDerWaalsContact C-CA 3.48Å; I34-G64 WeakPolarHBondContact O-CA 3.48Å; I34-V67 HydrophobicContact CG2-CB 4.36Å; I34-V67 HydrophobicContact CG2-CG1 4.19Å; I34-V67 HydrophobicContact CG2-CG2 4.47Å; I34-I70 HydrophobicContact CG2-CD1 3.82Å | ||
| 35 | N | 96.7 | Very high | 97.2 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 25% | 0.251 | 26% | 0.258 | S | S | . | . | trans | -66.6 | 130.7 | 162.8 | -60.4 | -50.7 | 0 | 0 | 0 | 107.9 | F30 D31 T33 V62 R63 G64 | F30-N35 WeakPolarHBondContact CA-O 3.43Å; D31-N35 PolarHBondContact N-O 3.02Å; D31-N35 PolarHBondContact OD1-N 3.44Å; D31-N35 PolarHBondContact OD1-ND2 2.92Å; D31-N35 WeakPolarHBondContact OD2-CB 3.41Å; D31-N35 PolarHBondContact OD2-ND2 2.85Å; T33-N35 PolarHBondContact O-N 3Å; T33-N35 PolarHBondContact OG1-ND2 3.47Å; N35-V62 CarbonylContact C-O 3.59Å; N35-V62 WeakPolarHBondContact CA-O 3.16Å; N35-R63 WeakPolarHBondContact OD1-CA 3.43Å; N35-G64 PolarHBondContact OD1-N 2.84Å | ||
| 36 | L | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138 | -173.6 | -51.6 | 178.9 | 0 | 0 | 0 | 110.5 | L5 I15 L27 F30 I34 I61 V62 V67 I70 | L5-L36 HydrophobicContact CD1-CD2 4.49Å; I15-L36 HydrophobicContact CD1-CD1 3.79Å; I15-L36 HydrophobicContact CG1-CD1 3.99Å; I15-L36 HydrophobicContact CG2-CD1 4.14Å; L27-L36 HydrophobicContact CD1-CB 4.19Å; L27-L36 HydrophobicContact CD1-CD2 4.04Å; F30-L36 HydrophobicContact CB-CD2 3.84Å; I34-L36 HydrophobicContact CG2-CD2 4.02Å; I34-L36 WeakPolarHBondContact O-CG 3.38Å; I34-L36 PolarHBondContact O-N 3.08Å; L36-I61 CarbonylContact O-C 3.56Å; L36-I61 VanDerWaalsContact O-CA 3.31Å; L36-I61 WeakPolarHBondContact O-CA 3.36Å; L36-V62 HydrophobicContact CB-CB 4.24Å; L36-V62 PolarHBondContact N-O 3.39Å; L36-V62 PolarHBondContact O-N 2.8Å; L36-V67 HydrophobicContact CD1-CG1 4.39Å; L36-V67 HydrophobicContact CD1-CG2 3.95Å; L36-V67 HydrophobicContact CG-CG2 4.26Å; L36-I70 HydrophobicContact CD1-CD1 3.9Å; L36-I70 HydrophobicContact CD1-CG1 4.17Å; L36-I70 HydrophobicContact CD2-CD1 4.06Å |
| 37 | I | 98.3 | Very high | 96.9 | Very high | 73 Ų | 73 | 53 Ų | 53 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 115 | 167.3 | -55.6 | 175.3 | 0 | 0 | 0 | 107.3 | K28 G29 L59 | K28-I37 HydrophobicContact CB-CG2 4.22Å; K28-I37 PolarHBondContact N-O 2.8Å; G29-I37 PolarHBondContact O-N 2.83Å; I37-L59 HydrophobicContact CG2-CD1 3.95Å |
| 38 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.5 | 177.4 | -57.2 | 177 | 0 | 0 | 0 | 109.5 | V13 I15 I23 T26 L27 L59 Y60 V62 | V13-L38 HydrophobicContact CG2-CD2 3.91Å; I15-L38 HydrophobicContact CG1-CD1 3.8Å; I15-L38 HydrophobicContact CG1-CD2 4.32Å; I23-L38 HydrophobicContact CG2-CD1 3.8Å; T26-L38 WeakPolarHBondContact O-CA 3.31Å; L27-L38 HydrophobicContact CB-CD2 4.43Å; L27-L38 HydrophobicContact CD1-CD2 4.09Å; L38-L59 CarbonylContact O-C 3.48Å; L38-L59 WeakPolarHBondContact O-CA 3.32Å; L38-Y60 PolarHBondContact N-O 3.37Å; L38-Y60 PolarHBondContact O-N 3.38Å; L38-V62 HydrophobicContact CD1-CG2 3.96Å |
| 39 | D | 98.4 | Very high | 96.5 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 159.9 | 171.8 | -162.8 | 13.9 | 0 | 0 | 0 | 110.3 | T26 K28 S41 L59 | T26-D39 PolarHBondContact N-O 3.24Å; T26-D39 PolarHBondContact O-N 2.94Å; K28-D39 HydrophobicContact CD-CB 4.14Å; K28-D39 WeakPolarHBondContact CE-OD2 3.17Å; K28-D39 HydrophobicContact CG-CB 3.59Å; K28-D39 IonicContact NZ-OD2 2.63Å; D39-S41 PolarHBondContact O-N 2.87Å; D39-L59 HydrophobicContact CB-CD1 4.46Å |
| 40 | E | 97.6 | Very high | 96.4 | Very high | 150 Ų | 150 | 60.4 Ų | 60.4 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48 | 34.3 | -177.9 | -59.7 | -174.8 | 166 | 0 | 0 | 113.1 | G58 | E40-G58 PolarHBondContact N-O 2.88Å |
| 41 | S | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 149.7 | -169 | 65.2 | 0 | 0 | 0 | 0 | 112.8 | V24 D39 L57 G58 Y60 | V24-S41 CarbonylContact O-C 3.59Å; V24-S41 WeakPolarHBondContact O-CA 3.42Å; V24-S41 WeakPolarHBondContact O-CB 3.13Å; D39-S41 PolarHBondContact O-N 2.87Å; S41-L57 WeakPolarHBondContact O-CA 3.44Å; S41-L57 PolarHBondContact O-N 3.36Å; S41-L57 WeakPolarHBondContact OG-CB 3.45Å; S41-G58 WeakPolarHBondContact CB-O 3.37Å; S41-G58 PolarHBondContact N-O 3.15Å; S41-G58 PolarHBondContact O-N 2.72Å; S41-G58 PolarHBondContact OG-O 2.99Å; S41-Y60 WeakPolarHBondContact OG-CB 3.4Å |
| 42 | H | 98.1 | Very high | 96.3 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 15% | 0.153 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 146.8 | 173.3 | 60.6 | -84.7 | 0 | 0 | 0 | 110.5 | V24 Q54 V55 | V24-H42 PolarHBondContact N-O 2.86Å; V24-H42 PolarHBondContact O-N 2.74Å; H42-Q54 PolarHBondContact CD2-NE2 2.84Å; H42-Q54 PolarHBondContact NE2-NE2 3.45Å; H42-V55 CarbonylContact C-O 2.92Å; H42-V55 WeakPolarHBondContact CA-O 3.15Å; H42-V55 WeakPolarHBondContact CB-O 3.38Å |
| 43 | E | 98 | Very high | 96.5 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 136 | 172.1 | 179.4 | 173.1 | -167.4 | 0 | 0 | 110.4 | R21 M22 V45 Q54 V55 L57 | R21-E43 WeakPolarHBondContact CB-OE1 3.45Å; R21-E43 WeakPolarHBondContact CG-OE1 3.34Å; R21-E43 IonicContact CZ-OE1 2.78Å; R21-E43 IonicContact CZ-OE2 2.67Å; R21-E43 IonicContact NE-OE1 3.83Å; R21-E43 PolarHBondContact NE-OE1 2.67Å; R21-E43 IonicContact NE-OE2 3.97Å; R21-E43 PolarHBondContact NE-OE2 2.94Å; R21-E43 IonicContact NH2-OE1 2.76Å; R21-E43 IonicContact NH2-OE2 2.94Å; R21-E43 PolarHBondContact NH2-OE2 2.78Å; M22-E43 CarbonylContact O-C 3.52Å; M22-E43 WeakPolarHBondContact O-CA 3.35Å; E43-V45 HydrophobicContact CG-CG2 3.97Å; E43-Q54 CarbonylContact O-C 3.46Å; E43-Q54 VanDerWaalsContact O-CA 3.3Å; E43-Q54 WeakPolarHBondContact O-CA 3.39Å; E43-V55 HydrophobicContact CB-CB 4.33Å; E43-V55 PolarHBondContact N-O 2.74Å; E43-V55 PolarHBondContact O-N 2.9Å; E43-L57 HydrophobicContact CB-CD1 4.26Å |
| 44 | R | 97.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 111 | 169 | -69.6 | -175.4 | -176.2 | -174.7 | -0.6 | 109.1 | M22 V24 F46 V52 E53 D78 | M22-R44 HydrophobicContact CB-CB 4.38Å; M22-R44 HydrophobicContact CG-CB 4.35Å; M22-R44 PolarHBondContact O-N 3.13Å; M22-R44 HydrophobicContact SD-CB 4.4Å; V24-R44 HydrophobicContact CG2-CG 4.34Å; R44-F46 HydrophobicContact CB-CE2 4.09Å; R44-F46 HydrophobicContact CB-CZ 4.15Å; R44-V52 HydrophobicContact CB-CG1 3.85Å; R44-V52 HydrophobicContact CG-CG1 4.21Å; R44-E53 WeakPolarHBondContact CA-O 3.35Å; R44-D78 IonicContact CZ-OD1 3.65Å; R44-D78 VanDerWaalsContact CZ-OD1 3.32Å; R44-D78 IonicContact CZ-OD2 3.4Å; R44-D78 IonicContact NH1-OD1 2.83Å; R44-D78 PolarHBondContact NH1-OD1 2.76Å; R44-D78 IonicContact NH1-OD2 3.23Å; R44-D78 IonicContact NH2-OD1 2.8Å; R44-D78 PolarHBondContact NH2-OD1 3Å; R44-D78 IonicContact NH2-OD2 3.65Å; R44-D78 PolarHBondContact NH2-OD2 3.12Å |
| 45 | V | 96.7 | Very high | 96.6 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 33% | 0.333 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 115.5 | 178.7 | -176.2 | 0 | 0 | 0 | 0 | 109 | E43 V52 E53 V55 | E43-V45 HydrophobicContact CG-CG2 3.97Å; V45-V52 WeakPolarHBondContact O-CA 3.36Å; V45-E53 HydrophobicContact CB-CB 4.36Å; V45-E53 PolarHBondContact N-O 3.1Å; V45-E53 PolarHBondContact O-N 3.09Å; V45-E53 VanDerWaalsContact O-N 3.13Å; V45-V55 HydrophobicContact CG2-CG2 4.22Å |
| 46 | F | 96 | Very high | 96.7 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | trans | -90.7 | 139 | 179.8 | -62.3 | -83.3 | 0 | 0 | 0 | 111.3 | M22 R44 V52 A88 | M22-F46 HydrophobicContact CB-CE2 3.92Å; M22-F46 HydrophobicContact CE-CE2 4.31Å; M22-F46 HydrophobicContact CE-CZ 4.41Å; M22-F46 HydrophobicContact CG-CE2 4.41Å; M22-F46 HydrophobicContact SD-CE2 3.72Å; M22-F46 HydrophobicContact SD-CZ 3.69Å; R44-F46 HydrophobicContact CB-CE2 4.09Å; R44-F46 HydrophobicContact CB-CZ 4.15Å; F46-V52 HydrophobicContact CD1-CG1 4.45Å; F46-V52 HydrophobicContact CD1-CG2 3.51Å; F46-V52 HydrophobicContact CE1-CG1 4.28Å; F46-V52 HydrophobicContact CE1-CG2 3.63Å; F46-A88 HydrophobicContact CB-CB 4.3Å; F46-A88 HydrophobicContact CD1-CB 4.04Å; F46-A88 HydrophobicContact CG-CB 4.46Å | ||
| 47 | S | 94.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | trans | -136.8 | 145.3 | 177.1 | 177 | 0 | 0 | 0 | 0 | 110.5 | T49 Q50 R87 A88 | S47-T49 PolarHBondContact OG-N 2.86Å; S47-T49 PolarHBondContact OG-OG1 2.9Å; S47-Q50 PolarHBondContact OG-N 2.91Å; S47-R87 WeakPolarHBondContact O-CA 3.48Å; S47-A88 CarbonylContact C-O 3.59Å; S47-A88 WeakPolarHBondContact CA-O 3.4Å; S47-A88 PolarHBondContact N-O 2.86Å; S47-A88 PolarHBondContact O-N 2.93Å; S47-A88 VanDerWaalsContact O-O 3.06Å | ||
| 48 | S | 94.4 | Very high | 96.6 | Very high | 56 Ų | 56 | 56 Ų | 56 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -76.3 | -15.7 | 173.5 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | A88 E89 | S48-A88 PolarHBondContact N-O 2.92Å; S48-E89 WeakPolarHBondContact CB-OE1 3.38Å |
| 49 | T | 93.9 | Very high | 96.6 | Very high | 98 Ų | 98 | 61.7 Ų | 61.7 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -113.3 | -28 | -173.6 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | S47 | S47-T49 PolarHBondContact OG-N 2.86Å; S47-T49 PolarHBondContact OG-OG1 2.9Å |
| 50 | Q | 94.1 | Very high | 96.5 | Very high | 112 Ų | 112 | 62.5 Ų | 62.5 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -121.8 | 160.9 | -177.3 | -67.7 | 176.8 | -21 | 0 | 0 | 110.4 | S47 | S47-Q50 PolarHBondContact OG-N 2.91Š|
| 51 | G | 95.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 61 Ų | 61 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 167.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E53 G84 I86 | G51-E53 PolarHBondContact O-N 2.73Å; G51-G84 WeakPolarHBondContact CA-O 3.35Å; G51-I86 WeakPolarHBondContact CA-O 3.12Å |
| 52 | V | 96.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 124.9 | 175 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | R44 V45 F46 L83 I86 | R44-V52 HydrophobicContact CB-CG1 3.85Å; R44-V52 HydrophobicContact CG-CG1 4.21Å; V45-V52 WeakPolarHBondContact O-CA 3.36Å; F46-V52 HydrophobicContact CD1-CG1 4.45Å; F46-V52 HydrophobicContact CD1-CG2 3.51Å; F46-V52 HydrophobicContact CE1-CG1 4.28Å; F46-V52 HydrophobicContact CE1-CG2 3.63Å; V52-L83 HydrophobicContact CB-CB 4.19Å; V52-L83 HydrophobicContact CB-CD2 4.44Å; V52-L83 WeakPolarHBondContact CB-O 3.45Å; V52-L83 HydrophobicContact CG1-CD2 4.47Å; V52-L83 PolarHBondContact N-O 3.17Å; V52-I86 HydrophobicContact CG2-CB 3.99Å; V52-I86 HydrophobicContact CG2-CG2 3.83Å; V52-I86 PolarHBondContact N-O 2.88Å |
| 53 | E | 95.9 | Very high | 96.5 | Very high | 104 Ų | 104 | 67.2 Ų | 67.2 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 141.9 | 173.9 | -63.1 | -172.9 | 166.7 | 0 | 0 | 110.6 | R44 V45 G51 | R44-E53 WeakPolarHBondContact CA-O 3.35Å; V45-E53 HydrophobicContact CB-CB 4.36Å; V45-E53 PolarHBondContact N-O 3.1Å; V45-E53 PolarHBondContact O-N 3.09Å; V45-E53 VanDerWaalsContact O-N 3.13Å; G51-E53 PolarHBondContact O-N 2.73Å |
| 54 | Q | 96.1 | Very high | 96.4 | Very high | 103 Ų | 103 | 66.3 Ų | 66.3 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111.9 | 175.1 | -69.7 | -177.9 | -45.4 | 0 | 0 | 110.3 | H42 E43 L83 | H42-Q54 PolarHBondContact CD2-NE2 2.84Å; H42-Q54 PolarHBondContact NE2-NE2 3.45Å; E43-Q54 CarbonylContact O-C 3.46Å; E43-Q54 VanDerWaalsContact O-CA 3.3Å; E43-Q54 WeakPolarHBondContact O-CA 3.39Å; Q54-L83 HydrophobicContact CG-CD1 4.26Å; Q54-L83 VanDerWaalsContact NE2-CD1 3.3Å |
| 55 | V | 97.4 | Very high | 96.3 | Very high | 65 Ų | 65 | 70.7 Ų | 70.7 | 39% | 0.394 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.6 | 177.8 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | H42 E43 V45 L57 | H42-V55 CarbonylContact C-O 2.92Å; H42-V55 WeakPolarHBondContact CA-O 3.15Å; H42-V55 WeakPolarHBondContact CB-O 3.38Å; E43-V55 HydrophobicContact CB-CB 4.33Å; E43-V55 PolarHBondContact N-O 2.74Å; E43-V55 PolarHBondContact O-N 2.9Å; V45-V55 HydrophobicContact CG2-CG2 4.22Å; V55-L57 PolarHBondContact O-N 3.43Å |
| 56 | V | 97.8 | Very high | 96.3 | Very high | 123 Ų | 123 | 71.8 Ų | 71.8 | 75% | 0.745 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.3 | -178.3 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 57 | L | 97.4 | Very high | 96.3 | Very high | 52 Ų | 52 | 71.1 Ų | 71.1 | 27% | 0.272 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -28.6 | 178.1 | -57.8 | 175.4 | 0 | 0 | 0 | 112.1 | I23 S41 E43 V55 Y60 | I23-L57 HydrophobicContact CD1-CD1 4.47Å; I23-L57 HydrophobicContact CG2-CD1 4.13Å; S41-L57 WeakPolarHBondContact O-CA 3.44Å; S41-L57 PolarHBondContact O-N 3.36Å; S41-L57 WeakPolarHBondContact OG-CB 3.45Å; E43-L57 HydrophobicContact CB-CD1 4.26Å; V55-L57 PolarHBondContact O-N 3.43Å; L57-Y60 HydrophobicContact CB-CD2 4.15Å; L57-Y60 HydrophobicContact CB-CG 4.39Å; L57-Y60 HydrophobicContact CD1-CD1 4.37Å; L57-Y60 HydrophobicContact CD1-CD2 4.08Å; L57-Y60 HydrophobicContact CD1-CE2 4.22Å; L57-Y60 HydrophobicContact CD1-CG 4.15Å |
| 58 | G | 96.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 72.1 Ų | 72.1 | 25% | 0.247 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.2 | -128 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | E40 S41 Y60 | E40-G58 PolarHBondContact N-O 2.88Å; S41-G58 WeakPolarHBondContact CB-O 3.37Å; S41-G58 PolarHBondContact N-O 3.15Å; S41-G58 PolarHBondContact O-N 2.72Å; S41-G58 PolarHBondContact OG-O 2.99Å; G58-Y60 PolarHBondContact O-N 3.23Å |
| 59 | L | 97.7 | Very high | 96.5 | Very high | 121 Ų | 121 | 73.5 Ų | 73.5 | 63% | 0.634 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.3 | 171.9 | -174.8 | 73.4 | 0 | 0 | 0 | 109.5 | I37 L38 D39 | I37-L59 HydrophobicContact CG2-CD1 3.95Å; L38-L59 CarbonylContact O-C 3.48Å; L38-L59 WeakPolarHBondContact O-CA 3.32Å; D39-L59 HydrophobicContact CB-CD1 4.46Å |
| 60 | Y | 97.6 | Very high | 96.6 | Very high | 68 Ų | 68 | 70.4 Ų | 70.4 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.6 | -173.3 | -166.3 | -104 | 0 | 0 | 0 | 111.6 | I23 L38 S41 L57 G58 V62 | I23-Y60 HydrophobicContact CD1-CD1 4.02Å; I23-Y60 HydrophobicContact CD1-CE1 3.45Å; I23-Y60 VanDerWaalsContact CD1-CE1 3.45Å; L38-Y60 PolarHBondContact N-O 3.37Å; L38-Y60 PolarHBondContact O-N 3.38Å; S41-Y60 WeakPolarHBondContact OG-CB 3.4Å; L57-Y60 HydrophobicContact CB-CD2 4.15Å; L57-Y60 HydrophobicContact CB-CG 4.39Å; L57-Y60 HydrophobicContact CD1-CD1 4.37Å; L57-Y60 HydrophobicContact CD1-CD2 4.08Å; L57-Y60 HydrophobicContact CD1-CE2 4.22Å; L57-Y60 HydrophobicContact CD1-CG 4.15Å; G58-Y60 PolarHBondContact O-N 3.23Å; Y60-V62 HydrophobicContact CD1-CG2 3.77Å; Y60-V62 HydrophobicContact CE1-CG2 3.83Å |
| 61 | I | 97.5 | Very high | 96.8 | Very high | 119 Ų | 119 | 66.3 Ų | 66.3 | 61% | 0.61 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.7 | 178.2 | -56.6 | 179.2 | 0 | 0 | 0 | 108.7 | L36 | L36-I61 CarbonylContact O-C 3.56Å; L36-I61 VanDerWaalsContact O-CA 3.31Å; L36-I61 WeakPolarHBondContact O-CA 3.36Å |
| 62 | V | 97.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 69.6 Ų | 69.6 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.9 | 174.2 | -168 | 0 | 0 | 0 | 0 | 108.6 | T17 I23 N35 L36 L38 Y60 V67 | T17-V62 HydrophobicContact CG2-CG1 4.35Å; I23-V62 HydrophobicContact CD1-CG2 4.46Å; N35-V62 CarbonylContact C-O 3.59Å; N35-V62 WeakPolarHBondContact CA-O 3.16Å; L36-V62 HydrophobicContact CB-CB 4.24Å; L36-V62 PolarHBondContact N-O 3.39Å; L36-V62 PolarHBondContact O-N 2.8Å; L38-V62 HydrophobicContact CD1-CG2 3.96Å; Y60-V62 HydrophobicContact CD1-CG2 3.77Å; Y60-V62 HydrophobicContact CE1-CG2 3.83Å; V62-V67 HydrophobicContact CB-CG2 4.36Å; V62-V67 HydrophobicContact CG1-CG2 3.65Å |
| 63 | R | 97.6 | Very high | 96.8 | Very high | 157 Ų | 157 | 70.2 Ų | 70.2 | 59% | 0.592 | 38% | 0.379 | S | S | * | . | trans | -73 | 133.1 | 172.7 | -176 | 177.6 | 167.1 | 154.7 | -2.6 | 109.8 | N35 D65 N66 | N35-R63 WeakPolarHBondContact OD1-CA 3.43Å; R63-D65 VanDerWaalsContact C-N 3.29Å; R63-D65 IonicContact CZ-OD2 3.45Å; R63-D65 VanDerWaalsContact CZ-OD2 3.23Å; R63-D65 IonicContact NE-OD2 2.69Å; R63-D65 PolarHBondContact NE-OD2 3.19Å; R63-D65 IonicContact NH2-OD2 3.47Å; R63-D65 PolarHBondContact NH2-OD2 3.44Å; R63-D65 PolarHBondContact O-N 2.98Å; R63-N66 WeakPolarHBondContact O-CB 3.13Å; R63-N66 PolarHBondContact O-N 3.35Å | ||
| 64 | G | 96.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 69.7 Ų | 69.7 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -60.1 | -32.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T33 I34 N35 N66 V67 | T33-G64 WeakPolarHBondContact O-CA 3.44Å; I34-G64 VanDerWaalsContact C-CA 3.48Å; I34-G64 WeakPolarHBondContact O-CA 3.48Å; N35-G64 PolarHBondContact OD1-N 2.84Å; G64-N66 PolarHBondContact O-N 2.94Å; G64-N66 VanDerWaalsContact O-N 3.12Å; G64-V67 WeakPolarHBondContact O-CB 3.23Å; G64-V67 PolarHBondContact O-N 2.7Å |
| 65 | D | 95.5 | Very high | 96.6 | Very high | 110 Ų | 110 | 70.4 Ų | 70.4 | 59% | 0.588 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -59.3 | -24.8 | 174.3 | -59 | -30.7 | 0 | 0 | 0 | 112.9 | R63 | R63-D65 VanDerWaalsContact C-N 3.29Å; R63-D65 IonicContact CZ-OD2 3.45Å; R63-D65 VanDerWaalsContact CZ-OD2 3.23Å; R63-D65 IonicContact NE-OD2 2.69Å; R63-D65 PolarHBondContact NE-OD2 3.19Å; R63-D65 IonicContact NH2-OD2 3.47Å; R63-D65 PolarHBondContact NH2-OD2 3.44Å; R63-D65 PolarHBondContact O-N 2.98Å |
| 66 | N | 95.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 74.6 Ų | 74.6 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -95.8 | -1.2 | 179.6 | -65.5 | -17.7 | 0 | 0 | 0 | 112.8 | T17 S18 R63 G64 | T17-N66 CarbonylContact C-O 3.59Å; T17-N66 WeakPolarHBondContact CA-O 3.49Å; S18-N66 PolarHBondContact N-O 3.4Å; S18-N66 WeakPolarHBondContact OG-CA 3.45Å; R63-N66 WeakPolarHBondContact O-CB 3.13Å; R63-N66 PolarHBondContact O-N 3.35Å; G64-N66 PolarHBondContact O-N 2.94Å; G64-N66 VanDerWaalsContact O-N 3.12Å |
| 67 | V | 96.6 | Very high | 96.2 | Very high | 30 Ų | 30 | 72.5 Ų | 72.5 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.8 | -179.7 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | I15 I34 L36 V62 G64 I70 | I15-V67 HydrophobicContact CG2-CG1 4.22Å; I15-V67 HydrophobicContact CG2-CG2 4.46Å; I34-V67 HydrophobicContact CG2-CB 4.36Å; I34-V67 HydrophobicContact CG2-CG1 4.19Å; I34-V67 HydrophobicContact CG2-CG2 4.47Å; L36-V67 HydrophobicContact CD1-CG1 4.39Å; L36-V67 HydrophobicContact CD1-CG2 3.95Å; L36-V67 HydrophobicContact CG-CG2 4.26Å; V62-V67 HydrophobicContact CB-CG2 4.36Å; V62-V67 HydrophobicContact CG1-CG2 3.65Å; G64-V67 WeakPolarHBondContact O-CB 3.23Å; G64-V67 PolarHBondContact O-N 2.7Å; V67-I70 HydrophobicContact CG1-CD1 4.02Å; V67-I70 HydrophobicContact CG1-CG1 3.74Å |
| 68 | A | 96.3 | Very high | 96 | Very high | 48 Ų | 48 | 71.7 Ų | 71.7 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -47.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V16 V94 | V16-A68 WeakPolarHBondContact O-CA 3.38Å; V16-A68 WeakPolarHBondContact O-CB 3.24Å; V16-A68 PolarHBondContact O-N 2.91Å; A68-V94 HydrophobicContact CB-CG2 4.22Å |
| 69 | V | 96.4 | Very high | 95.7 | Very high | 85 Ų | 85 | 75 Ų | 75 | 52% | 0.515 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.7 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | I15 V16 | I15-V69 WeakPolarHBondContact CA-O 3.4Å; V16-V69 HydrophobicContact CB-CB 4.09Å; V16-V69 HydrophobicContact CG2-CB 4.39Å; V16-V69 PolarHBondContact N-O 2.92Å; V16-V69 PolarHBondContact O-N 2.85Å; V16-V69 VanDerWaalsContact O-N 3.1Å |
| 70 | I | 97.1 | Very high | 95.6 | Very high | 33 Ų | 33 | 74.4 Ų | 74.4 | 17% | 0.169 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.4 | 170.1 | -54.1 | 170.4 | 0 | 0 | 0 | 107.1 | L5 Y8 V13 I15 I34 L36 V67 | L5-I70 HydrophobicContact CD1-CD1 3.81Å; L5-I70 HydrophobicContact CD2-CB 4.27Å; L5-I70 HydrophobicContact CD2-CD1 3.54Å; L5-I70 HydrophobicContact CD2-CG1 4.49Å; L5-I70 HydrophobicContact CD2-CG2 3.97Å; L5-I70 HydrophobicContact CG-CD1 4.32Å; Y8-I70 HydrophobicContact CD2-CG2 3.81Å; Y8-I70 HydrophobicContact CE2-CG2 4.08Å; V13-I70 HydrophobicContact CB-CG2 4.34Å; V13-I70 HydrophobicContact CG1-CG2 4.41Å; I15-I70 HydrophobicContact CD1-CB 4.13Å; I15-I70 HydrophobicContact CD1-CG1 3.95Å; I15-I70 HydrophobicContact CD1-CG2 3.69Å; I34-I70 HydrophobicContact CG2-CD1 3.82Å; L36-I70 HydrophobicContact CD1-CD1 3.9Å; L36-I70 HydrophobicContact CD1-CG1 4.17Å; L36-I70 HydrophobicContact CD2-CD1 4.06Å; V67-I70 HydrophobicContact CG1-CD1 4.02Å; V67-I70 HydrophobicContact CG1-CG1 3.74Å |
| 71 | G | 96.9 | Very high | 95.3 | Very high | 26 Ų | 26 | 75 Ų | 75 | 27% | 0.268 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V13 A14 | V13-G71 CarbonylContact C-O 3.49Å; V13-G71 VanDerWaalsContact CA-O 3.23Å; V13-G71 WeakPolarHBondContact CA-O 3.44Å; A14-G71 PolarHBondContact N-O 2.83Å; A14-G71 PolarHBondContact O-N 3.16Å |
| 72 | E | 96.8 | Very high | 95.1 | Very high | 85 Ų | 85 | 74 Ų | 74 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 135.5 | 170.1 | -174 | 178.3 | 162.9 | 0 | 0 | 110.1 | Y8 R11 | Y8-E72 HydrophobicContact CD1-CB 4.17Å; Y8-E72 HydrophobicContact CE1-CB 3.8Å; Y8-E72 WeakPolarHBondContact CE1-OE2 3.18Å; R11-E72 VanDerWaalsContact CD-CD 3.44Å; R11-E72 WeakPolarHBondContact CD-OE1 3.41Å; R11-E72 IonicContact CZ-OE1 3.68Å; R11-E72 IonicContact CZ-OE2 3.75Å; R11-E72 IonicContact NE-OE1 2.89Å; R11-E72 IonicContact NH1-OE1 3.86Å; R11-E72 PolarHBondContact NH1-OE1 2.91Å; R11-E72 IonicContact NH1-OE2 3.32Å; R11-E72 PolarHBondContact NH1-OE2 2.82Å |
| 73 | I | 96.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 74.9 Ų | 74.9 | 13% | 0.133 | 41% | 0.41 | C | S | . | . | trans | -101.7 | 132.6 | 174 | -69.4 | 169.4 | 0 | 0 | 0 | 108.8 | T12 A14 V24 E75 D78 | T12-I73 HydrophobicContact CG2-CB 4.14Å; T12-I73 HydrophobicContact CG2-CD1 4.19Å; T12-I73 HydrophobicContact CG2-CG2 4.48Å; T12-I73 PolarHBondContact O-N 2.79Å; A14-I73 HydrophobicContact CB-CD1 3.67Å; A14-I73 HydrophobicContact CB-CG1 4.04Å; V24-I73 HydrophobicContact CB-CD1 4.33Å; V24-I73 HydrophobicContact CG1-CD1 3.61Å; V24-I73 HydrophobicContact CG2-CD1 3.8Å; I73-E75 PolarHBondContact O-N 3.05Å; I73-D78 HydrophobicContact CG2-CB 3.56Å | ||
| 74 | D | 96 | Very high | 94.5 | Very high | 93 Ų | 93 | 69.6 Ų | 69.6 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | trans | -79.5 | 109.4 | 161.8 | 174.5 | 21.1 | 0 | 0 | 0 | 109.5 | E76 T77 D78 | D74-E76 VanDerWaalsContact C-N 3.29Å; D74-E76 PolarHBondContact O-N 3.36Å; D74-E76 PolarHBondContact OD1-N 2.62Å; D74-T77 PolarHBondContact O-N 3.25Å; D74-T77 WeakPolarHBondContact OD2-CB 3.4Å; D74-T77 PolarHBondContact OD2-OG1 3.14Å; D74-D78 WeakPolarHBondContact O-CB 3.42Å; D74-D78 PolarHBondContact O-N 2.93Å | ||
| 75 | E | 91.8 | Very high | 94.3 | Very high | 117 Ų | 117 | 74.7 Ų | 74.7 | 55% | 0.547 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.9 | -33.3 | -174.8 | -66.9 | 178.6 | -161.8 | 0 | 0 | 112.9 | T12 I73 S79 | T12-E75 WeakPolarHBondContact CB-OE1 3.42Å; T12-E75 PolarHBondContact OG1-OE1 3.48Å; I73-E75 PolarHBondContact O-N 3.05Å; E75-S79 WeakPolarHBondContact O-CB 3.41Å; E75-S79 PolarHBondContact O-N 3.3Å; E75-S79 PolarHBondContact O-OG 3.02Å |
| 76 | E | 93.6 | Very high | 94.3 | Very high | 153 Ų | 153 | 72.4 Ų | 72.4 | 72% | 0.715 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.1 | -51.8 | 178.2 | -173.6 | 176.6 | 178.2 | 0 | 0 | 109.5 | D74 D78 S79 | D74-E76 VanDerWaalsContact C-N 3.29Å; D74-E76 PolarHBondContact O-N 3.36Å; D74-E76 PolarHBondContact OD1-N 2.62Å; E76-D78 PolarHBondContact O-N 3.45Å; E76-S79 PolarHBondContact O-N 3.36Å; E76-S79 PolarHBondContact O-OG 3.49Å |
| 77 | T | 93.1 | Very high | 94.3 | Very high | 80 Ų | 80 | 76.6 Ų | 76.6 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | D74 S79 T80 | D74-T77 PolarHBondContact O-N 3.25Å; D74-T77 WeakPolarHBondContact OD2-CB 3.4Å; D74-T77 PolarHBondContact OD2-OG1 3.14Å; T77-S79 VanDerWaalsContact C-N 3.32Å; T77-S79 PolarHBondContact O-N 2.65Å; T77-T80 PolarHBondContact O-N 3.01Å; T77-T80 VanDerWaalsContact O-N 3.16Å; T77-T80 PolarHBondContact O-OG1 3.03Å |
| 78 | D | 92.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 76.9 Ų | 76.9 | 18% | 0.182 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64 | -35.9 | -177.8 | -169.7 | 75.7 | 0 | 0 | 0 | 112.6 | R44 I73 D74 E76 T80 L81 | R44-D78 IonicContact CZ-OD1 3.65Å; R44-D78 VanDerWaalsContact CZ-OD1 3.32Å; R44-D78 IonicContact CZ-OD2 3.4Å; R44-D78 IonicContact NH1-OD1 2.83Å; R44-D78 PolarHBondContact NH1-OD1 2.76Å; R44-D78 IonicContact NH1-OD2 3.23Å; R44-D78 IonicContact NH2-OD1 2.8Å; R44-D78 PolarHBondContact NH2-OD1 3Å; R44-D78 IonicContact NH2-OD2 3.65Å; R44-D78 PolarHBondContact NH2-OD2 3.12Å; I73-D78 HydrophobicContact CG2-CB 3.56Å; D74-D78 WeakPolarHBondContact O-CB 3.42Å; D74-D78 PolarHBondContact O-N 2.93Å; E76-D78 PolarHBondContact O-N 3.45Å; D78-T80 PolarHBondContact O-N 3.34Å; D78-L81 WeakPolarHBondContact O-CB 3.35Å; D78-L81 PolarHBondContact O-N 3Å; D78-L81 VanDerWaalsContact O-N 3.13Å |
| 79 | S | 91.5 | Very high | 94.1 | Very high | 95 Ų | 95 | 81.1 Ų | 81.1 | 66% | 0.664 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.6 | -20 | 177.1 | 75.9 | 0 | 0 | 0 | 0 | 114.3 | E75 E76 T77 | E75-S79 WeakPolarHBondContact O-CB 3.41Å; E75-S79 PolarHBondContact O-N 3.3Å; E75-S79 PolarHBondContact O-OG 3.02Å; E76-S79 PolarHBondContact O-N 3.36Å; E76-S79 PolarHBondContact O-OG 3.49Å; T77-S79 VanDerWaalsContact C-N 3.32Å; T77-S79 PolarHBondContact O-N 2.65Å |
| 80 | T | 94.7 | Very high | 94 | Very high | 108 Ų | 108 | 80.8 Ų | 80.8 | 66% | 0.663 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -9.3 | 177.8 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | T77 D78 | T77-T80 PolarHBondContact O-N 3.01Å; T77-T80 VanDerWaalsContact O-N 3.16Å; T77-T80 PolarHBondContact O-OG1 3.03Å; D78-T80 PolarHBondContact O-N 3.34Å |
| 81 | L | 92.1 | Very high | 93.8 | Very high | 80 Ų | 80 | 82.6 Ų | 82.6 | 42% | 0.419 | 45% | 0.453 | S | S | . | . | trans | -78.7 | 128.9 | -176.7 | -62 | 175.9 | 0 | 0 | 0 | 111.4 | D78 L83 I86 | D78-L81 WeakPolarHBondContact O-CB 3.35Å; D78-L81 PolarHBondContact O-N 3Å; D78-L81 VanDerWaalsContact O-N 3.13Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L81-L83 PolarHBondContact O-N 3.33Å; L81-L83 VanDerWaalsContact O-N 3.09Å; L81-I86 HydrophobicContact CB-CD1 4.37Å | ||
| 82 | D | 92.9 | Very high | 93.7 | Very high | 98 Ų | 98 | 88.7 Ų | 88.7 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | trans | -84.7 | 79.5 | 170.9 | -173 | -2.2 | 0 | 0 | 0 | 110.7 | G84 N85 I86 | D82-G84 PolarHBondContact O-N 3.04Å; D82-G84 PolarHBondContact OD1-N 2.63Å; D82-N85 PolarHBondContact O-N 2.89Å; D82-N85 PolarHBondContact OD2-ND2 2.99Å; D82-I86 WeakPolarHBondContact O-CG1 3.34Å; D82-I86 PolarHBondContact O-N 3.14Å | ||
| 83 | L | 91.3 | Very high | 93.6 | Very high | 25 Ų | 25 | 88 Ų | 88 | 13% | 0.131 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -54.4 | -34.3 | -179.7 | -67.4 | 176.2 | 0 | 0 | 0 | 112.6 | V52 Q54 L81 N85 I86 | V52-L83 HydrophobicContact CB-CB 4.19Å; V52-L83 HydrophobicContact CB-CD2 4.44Å; V52-L83 WeakPolarHBondContact CB-O 3.45Å; V52-L83 HydrophobicContact CG1-CD2 4.47Å; V52-L83 PolarHBondContact N-O 3.17Å; Q54-L83 HydrophobicContact CG-CD1 4.26Å; Q54-L83 VanDerWaalsContact NE2-CD1 3.3Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L81-L83 PolarHBondContact O-N 3.33Å; L81-L83 VanDerWaalsContact O-N 3.09Å; L83-N85 PolarHBondContact O-N 3.31Å; L83-I86 HydrophobicContact CD2-CD1 4.21Å; L83-I86 PolarHBondContact O-N 3.23Å |
| 84 | G | 91.3 | Very high | 93.5 | Very high | 47 Ų | 47 | 90.2 Ų | 90.2 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -66.9 | -17.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | G51 D82 | G51-G84 WeakPolarHBondContact CA-O 3.35Å; D82-G84 PolarHBondContact O-N 3.04Å; D82-G84 PolarHBondContact OD1-N 2.63Å |
| 85 | N | 92.6 | Very high | 93.3 | Very high | 118 Ų | 118 | 92.4 Ų | 92.4 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -110 | -5.4 | 177.8 | -76.8 | -40.6 | 0 | 0 | 0 | 113.8 | D82 L83 | D82-N85 PolarHBondContact O-N 2.89Å; D82-N85 PolarHBondContact OD2-ND2 2.99Å; L83-N85 PolarHBondContact O-N 3.31Å |
| 86 | I | 94.6 | Very high | 92.7 | Very high | 61 Ų | 61 | 97.7 Ų | 97.7 | 31% | 0.313 | 54% | 0.539 | S | S | . | . | trans | -77.5 | 128.9 | 174.4 | -70.2 | 165.8 | 0 | 0 | 0 | 109.6 | G51 V52 L81 D82 L83 | G51-I86 WeakPolarHBondContact CA-O 3.12Å; V52-I86 HydrophobicContact CG2-CB 3.99Å; V52-I86 HydrophobicContact CG2-CG2 3.83Å; V52-I86 PolarHBondContact N-O 2.88Å; L81-I86 HydrophobicContact CB-CD1 4.37Å; D82-I86 WeakPolarHBondContact O-CG1 3.34Å; D82-I86 PolarHBondContact O-N 3.14Å; L83-I86 HydrophobicContact CD2-CD1 4.21Å; L83-I86 PolarHBondContact O-N 3.23Å | ||
| 87 | R | 94.6 | Very high | 92.7 | Very high | 166 Ų | 166 | 95 Ų | 95 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | trans | -124.3 | 131.4 | 176.2 | -61.5 | -179.2 | -174.2 | 176.2 | 0.9 | 109.5 | S47 | S47-R87 WeakPolarHBondContact O-CA 3.48Š| ||
| 88 | A | 94.6 | Very high | 92.6 | Very high | 37 Ų | 37 | 95.7 Ų | 95.7 | 31% | 0.306 | 53% | 0.532 | S | S | . | . | trans | -151 | 151.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | F46 S47 S48 | F46-A88 HydrophobicContact CB-CB 4.3Å; F46-A88 HydrophobicContact CD1-CB 4.04Å; F46-A88 HydrophobicContact CG-CB 4.46Å; S47-A88 CarbonylContact C-O 3.59Å; S47-A88 WeakPolarHBondContact CA-O 3.4Å; S47-A88 PolarHBondContact N-O 2.86Å; S47-A88 PolarHBondContact O-N 2.93Å; S47-A88 VanDerWaalsContact O-O 3.06Å; S48-A88 PolarHBondContact N-O 2.92Å | ||
| 89 | E | 95.1 | Very high | 92.6 | Very high | 137 Ų | 137 | 99.2 Ų | 99.2 | 64% | 0.64 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.1 | 170 | -66.8 | -60.8 | 151.5 | 0 | 0 | 110.2 | S48 | S48-E89 WeakPolarHBondContact CB-OE1 3.38Š|
| 90 | P | 93.9 | Very high | 92.7 | Very high | 77 Ų | 77 | 99.4 Ų | 99.4 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -54 | 147.1 | 172.3 | -24.6 | 34 | 0 | 0 | 0 | 111.8 | ||
| 91 | L | 94.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 98.9 Ų | 98.9 | 38% | 0.377 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 140.1 | 177.7 | -58 | 167.1 | 0 | 0 | 0 | 109.8 | V16 G20 M22 | V16-L91 HydrophobicContact CG1-CD1 4.23Å; G20-L91 WeakPolarHBondContact O-CB 3.15Å; M22-L91 HydrophobicContact CB-CD1 4.23Å |
| 92 | N | 95 | Very high | 92.6 | Very high | 153 Ų | 153 | 100.1 Ų | 100.1 | 82% | 0.818 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 149.9 | 174.1 | -65.7 | -42.7 | 0 | 0 | 0 | 110.7 | ||
| 93 | S | 94.6 | Very high | 92.6 | Very high | 70 Ų | 70 | 100.3 Ų | 100.3 | 49% | 0.49 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 153.8 | 168.7 | -43.7 | 0 | 0 | 0 | 0 | 111.1 | S18 D19 | S18-S93 CarbonylContact O-C 3.46Å; S18-S93 VanDerWaalsContact O-CA 3.24Å; S18-S93 WeakPolarHBondContact O-CA 3.35Å; S18-S93 WeakPolarHBondContact O-CB 3.2Å; D19-S93 PolarHBondContact O-OG 3.2Å; D19-S93 VanDerWaalsContact O-OG 3.05Å |
| 94 | V | 93.4 | Very high | 92.7 | Very high | 74 Ų | 74 | 106.1 Ų | 106.1 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -69 | 133.3 | 174.3 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | S18 A68 | S18-V94 PolarHBondContact O-N 2.91Å; A68-V94 HydrophobicContact CB-CG2 4.22Å |
| 95 | V | 91.7 | Very high | 92.8 | Very high | 139 Ų | 139 | 111 Ų | 111 | 84% | 0.842 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 122.5 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | ||
| 96 | H | 79.1 | Confident | 92.8 | Very high | 228 Ų | 228 | 110.4 Ų | 110.4 | 100% | 1.056 | 58% | 0.583 | S | S | * | * | trans | -89.7 | 0 | 179.2 | -66.3 | -69.9 | 0 | 0 | 0 | 112.7 |
Retrieved 96 of 96 residues in 279.4 ms
(Link to these results)